National Library of Energy BETA

Sample records for molecule ethylene carbonate

  1. The two-electron reduction mechanism of ethylene carbonate: a...

    Office of Scientific and Technical Information (OSTI)

    of ethylene carbonate: a quantum chemistry study. Citation Details In-Document Search Title: The two-electron reduction mechanism of ethylene carbonate: a quantum chemistry study. ...

  2. Terpolymerization of ethylene, sulfur dioxide and carbon monoxide

    DOE Patents [OSTI]

    Johnson, R.; Steinberg, M.

    This invention relates to high molecular weight terpolymer of ethylene, sulfur dioxide and carbon monoxide stable to 280/sup 0/C and containing as little as 36 mo1% ethylene and about 41 to 51 mo1% sulfur dioxide, and to the method of producing said terpolymer by irradiation of a liquid and gaseous mixture of ethylene, sulfur dioxide and carbon monoxide by means of Co-60 gamma rays or an electron beam, at a temperature of about 10 to 50/sup 0/C, and at a pressure of about 140 to 680 atmospheres, to initiate polymerization.

  3. Terpolymerization of ethylene, sulfur dioxide and carbon monoxide

    DOE Patents [OSTI]

    Johnson, Richard; Steinberg, Meyer

    1981-01-01

    This invention relates to a high molecular weight terpolymer of ethylene, sulfur dioxide and carbon monoxide stable to 280.degree. C. and containing as little as 36 mol % ethylene and about 41-51 mol % sulfur dioxide; and to the method of producing said terpolymer by irradiation of a liquid and gaseous mixture of ethylene, sulfur dioxide and carbon monoxide by means of Co-60 gamma rays or an electron beam, at a temperature of about 10.degree.-50.degree. C., and at a pressure of about 140 to 680 atmospheres, to initiate polymerization.

  4. Two-electron reduction of ethylene carbonate: theoretical review of SEI

    Office of Scientific and Technical Information (OSTI)

    formation mechanisms. (Conference) | SciTech Connect Conference: Two-electron reduction of ethylene carbonate: theoretical review of SEI formation mechanisms. Citation Details In-Document Search Title: Two-electron reduction of ethylene carbonate: theoretical review of SEI formation mechanisms. Authors: Leung, Kevin Publication Date: 2012-08-01 OSTI Identifier: 1061142 Report Number(s): SAND2012-6720C DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation:

  5. Two-electron reduction of ethylene carbonate: theoretical review of SEI

    Office of Scientific and Technical Information (OSTI)

    formation mechanisms. (Conference) | SciTech Connect Conference: Two-electron reduction of ethylene carbonate: theoretical review of SEI formation mechanisms. Citation Details In-Document Search Title: Two-electron reduction of ethylene carbonate: theoretical review of SEI formation mechanisms. Abstract not provided. Authors: Leung, Kevin Publication Date: 2013-04-01 OSTI Identifier: 1078871 Report Number(s): SAND2013-3422C 452174 DOE Contract Number: AC04-94AL85000 Resource Type: Conference

  6. Dielectric relaxation of ethylene carbonate and propylene carbonate from molecular dynamics simulations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chaudhari, Mangesh I.; You, Xinli; Pratt, Lawrence R.; Rempe, Susan B.

    2015-11-24

    Ethylene carbonate (EC) and propylene carbonate (PC) are widely used solvents in lithium (Li)-ion batteries and supercapacitors. Ion dissolution and diffusion in those media are correlated with solvent dielectric responses. Here, we use all-atom molecular dynamics simulations of the pure solvents to calculate dielectric constants and relaxation times, and molecular mobilities. The computed results are compared with limited available experiments to assist more exhaustive studies of these important characteristics. As a result, the observed agreement is encouraging and provides guidance for further validation of force-field simulation models for EC and PC solvents.

  7. Properties of ethylene carbonate and its use in electrochemical applications: a literature review

    SciTech Connect (OSTI)

    Johnson, P.H.

    1985-06-01

    Ethylene carbonate (C/sub 3/H/sub 4/O/sub 3/) is an important industrial solvent and used extensively in the textile and cosmetic industry. Ethylene carbonate (EC) and propylene carbonate (PC) were tested for use as solvents for electrochemical applications. High chemical and electrochemical stability, low toxicity, good ionizing and solvating ability and low volatility make both EC and PC suitable solvents for electrochemical applications. Propylene carbonate has been used extensively in lithium batteries and nonaqueous electrochemical studies. The intent of this review is to stimulate the use of ethylene carbonate in nonaqueous electrochemistry. This review covers the literature up to January 1, 1985. 147 refs., 14 figs., 51 tabs.

  8. Surface-supported Ag islands stabilized by a quantum size effect: Their interaction with small molecules relevant to ethylene epoxidation

    SciTech Connect (OSTI)

    Shao, Dahai

    2013-05-15

    This dissertation focuses on how QSE-stabilized, surface-supported Ag nanoclusters will interact with ethylene or oxygen. Experiments are performed to determine whether the QSE-mediated Ag islands react differently toward adsorption of ethylene or oxygen, or whether the adsorption of these small molecules will affect the QSE-mediated stability of Ag islands. Studies of the interaction of oxygen with Ag/Si(111)-77 were previously reported, but these studies were performed at a low Ag coverage where 3D Ag islands were not formed. So the study of such a system at a higher Ag coverage will be a subject of this work. The interaction of ethylene with Ag/Si(111)-77, as well as the interaction of oxygen with Ag/NiAl(110) are also important parts of this study.

  9. The two-electron reduction mechanism of ethylene carbonate: a quantum

    Office of Scientific and Technical Information (OSTI)

    chemistry study. (Journal Article) | SciTech Connect Journal Article: The two-electron reduction mechanism of ethylene carbonate: a quantum chemistry study. Citation Details In-Document Search Title: The two-electron reduction mechanism of ethylene carbonate: a quantum chemistry study. Authors: Leung, Kevin Publication Date: 2012-07-01 OSTI Identifier: 1064316 Report Number(s): SAND2012-5481J Journal ID: ISSN 0009-2614 DOE Contract Number: AC04-94AL85000 Resource Type: Journal Article

  10. The production of carbon nanofibers and thin films on palladium catalysts from ethylene oxygen mixtures

    SciTech Connect (OSTI)

    Phillips, Jonathan; Doorn, Stephen; Atwater, Mark; Leseman, Zayd; Luhrs, Claudia C; Diez, Yolanda F; Diaz, Angel M

    2009-01-01

    The characteristics of carbonaceous materials deposited in fuel rich ethylene-oxygen mixtures on three types of palladium: foil, sputtered film, and nanopowder, are reported. It was found that the form of palladium has a dramatic influence on the morphology of the deposited carbon. In particular, on sputtered film and powder, tight 'weaves' of sub-micron filaments formed quickly. In contrast, on foils under identical conditions, the dominant morphology is carbon thin films with basal planes oriented parallel to the substrate surface. Temperature, gas flow rate, reactant flow ratio (C2H4:02), and residence time (position) were found to influence both growth rate and type for all three forms of Pd. X-ray diffraction, high-resolution transmission electron microscopy, temperature-programmed oxidation, and Raman spectroscopy were used to assess the crystallinity of the as-deposited carbon, and it was determined that transmission electron microscopy and x-ray diffraction were the most reliable methods for determining crystallinity. The dependence of growth on reactor position, and the fact that no growth was observed in the absence of oxygen support the postulate that the carbon deposition proceeds by combustion generated radical species.

  11. Equilibrium hydrate formation conditions for hydrogen sulfide, carbon dioxide, and ethane in aqueous solutions of ethylene glycol and sodium chloride

    SciTech Connect (OSTI)

    Majumdar, A.; Mahmoodaghdam, E.; Bishnoi, P.R.

    2000-02-01

    Natural gas components such as hydrogen sulfide, carbon dioxide, and ethane form gas hydrates of structure I under suitable temperature and pressure conditions. Information on such conditions is vital to the oil and gas industry in order to design and operate processing equipment and pipelines so that hydrate formation is avoided. Incipient equilibrium hydrate formation conditions for hydrogen sulfide, carbon dioxide, and ethane in aqueous solutions of ethylene glycol and sodium chloride were experimentally obtained in the temperature range 264--290 K and the pressure range 0.23--3.18 MPa. A variable-volume sapphire cell was used for the measurements.

  12. Structures of water molecules in carbon nanotubes under electric fields

    SciTech Connect (OSTI)

    Winarto,; Takaiwa, Daisuke; Yamamoto, Eiji; Yasuoka, Kenji

    2015-03-28

    Carbon nanotubes (CNTs) are promising for water transport through membranes and for use as nano-pumps. The development of CNT-based nanofluidic devices, however, requires a better understanding of the properties of water molecules in CNTs because they can be very different from those in the bulk. Using all-atom molecular dynamics simulations, we investigate the effect of axial electric fields on the structure of water molecules in CNTs having diameters ranging from (7,7) to (10,10). The water dipole moments were aligned parallel to the electric field, which increases the density of water inside the CNTs and forms ordered ice-like structures. The electric field induces the transition from liquid to ice nanotubes in a wide range of CNT diameters. Moreover, we found an increase in the lifetime of hydrogen bonds for water structures in the CNTs. Fast librational motion breaks some hydrogen bonds, but the molecular pairs do not separate and the hydrogen bonds reform. Thus, hydrogen bonds maintain the water structure in the CNTs, and the water molecules move collectively, decreasing the axial diffusion coefficient and permeation rate.

  13. Hybrid DFT Functional-Based Static and Molecular Dynamics Studies of Excess Electron in Liquid Ethylene Carbonate

    SciTech Connect (OSTI)

    Yu, J. M.; Balbuena, P. B.; Budzien, J. L.; Leung, Kevin

    2011-02-22

    We applied static and dynamic hybrid functional density functional theory (DFT) calculations to study the interactions of one and two excess electrons with ethylene carbonate (EC) liquid and clusters. Optimal structures of (EC)n and (EC)n- clusters devoid of Li+ ions, n = 16, were obtained. The excess electron was found to be localized on a single EC in all cases, and the EC dimeric radical anion exhibits a reduced barrier associated with the breaking of the ethylene carbonoxygen covalent bond compared to EC-. In ab initio molecular dynamics (AIMD) simulations of EC- solvated in liquid EC, large fluctuations in the carbonyl carbonoxygen bond lengths were observed. AIMD simulations of a two-electron attack on EC in EC liquid and on Li metal surfaces yielded products similar to those predicted using nonhybrid DFT functionals, except that CO release did not occur for all attempted initial configurations in the liquid state.

  14. Effect of Organic Capping Layers over Monodisperse Platinum Nanoparticles upon Activity for Ethylene Hydrogenation and Carbon Monoxide Oxidation

    SciTech Connect (OSTI)

    Kuhn, John N.; Tsung, Chia-Kuang; Huang, Wenyu; Somorjai, Gabor A.

    2009-03-24

    The influence of oleylamine (OA), trimethyl tetradecyl ammonium bromide (TTAB), and polyvinlypyrrolidone (PVP) capping agents upon the catalytic properties of Pt/silica catalysts was evaluated. Pt nanoparticles that were 1.5 nm in size were synthesized by the same procedure (ethylene glycol reduction under basic conditions) with the various capping agents added afterward for stabilization. Before examining catalytic properties for ethylene hydrogenation and CO oxidation, the Pt NPs were deposited onto mesoporous silica (SBA-15) supports and characterized by transmission electron microscopy (TEM), H{sub 2} chemisorption, and elemental analysis (ICP-MS). PVP- and TTAB-capped Pt yielded mass-normalized reaction rates that decreased with increasing pretreatment temperature, and this trend was attributed to the partial coverage of the Pt surface with decomposition products from the organic capping agent. Once normalized to the Pt surface area, similar intrinsic activities were obtained regardless of the pretreatment temperature, which indicated no influence on the nature of the active sites. Consequently, a chemical probe technique using intrinsic activity for ethylene hydrogenation was demonstrated as an acceptable method for estimating the metallic surface areas of Pt. Amine (OA) capping exhibited a detrimental influence on the catalytic properties as severe deactivation and low activity were observed for ethylene hydrogenation and CO oxidation, respectively. These results were consistent with amine groups being strong poisons for Pt surfaces, and revealed the need to consider the effects of capping agents on the catalytic properties.

  15. Collision dynamics of polyatomic molecules containing carbon rings at low temperatures

    SciTech Connect (OSTI)

    Li, Zhiying; Heller, Eric J.; Krems, Roman V.

    2014-09-14

    We explore the collision dynamics of complex hydrocarbon molecules (benzene, coronene, adamantane, and anthracene) containing carbon rings in a cold buffer gas of {sup 3}He. For benzene, we present a comparative analysis of the fully classical and fully quantum calculations of elastic and inelastic scattering cross sections at collision energies between 1 and 10 cm{sup ?1}. The quantum calculations are performed using the time-independent coupled channel approach and the coupled-states approximation. We show that the coupled-states approximation is accurate at collision energies between 1 and 20 cm{sup ?1}. For the classical dynamics calculations, we develop an approach exploiting the rigidity of the carbon rings and including low-energy vibrational modes without holonomic constraints. Our results illustrate the effect of the molecular shape and the vibrational degrees of freedom on the formation of long-lived resonance states that lead to low-temperature clustering.

  16. ELECTRON IRRADIATION OF CARBON DISULFIDE-OXYGEN ICES: TOWARD THE FORMATION OF SULFUR-BEARING MOLECULES IN INTERSTELLAR ICES

    SciTech Connect (OSTI)

    Maity, Surajit; Kaiser, Ralf I. [Department of Chemistry, University of Hawai'i at Manoa, Honolulu, HI 96822 (United States)

    2013-08-20

    The formation of sulfur-bearing molecules in interstellar ices was investigated during the irradiation of carbon disulfide (CS{sub 2})-oxygen (O{sub 2}) ices with energetic electrons at 12 K. The irradiation-induced chemical processing of these ices was monitored online and in situ via Fourier transform infrared spectroscopy to probe the newly formed products quantitatively. The sulfur-bearing molecules produced during the irradiation were sulfur dioxide (SO{sub 2}), sulfur trioxide (SO{sub 3}), and carbonyl sulfide (OCS). Formations of carbon dioxide (CO{sub 2}), carbon monoxide (CO), and ozone (O{sub 3}) were observed as well. To fit the temporal evolution of the newly formed products and to elucidate the underlying reaction pathways, kinetic reaction schemes were developed and numerical sets of rate constants were derived. Our studies suggest that carbon disulfide (CS{sub 2}) can be easily transformed to carbonyl sulfide (OCS) via reactions with suprathermal atomic oxygen (O), which can be released from oxygen-containing precursors such as water (H{sub 2}O), carbon dioxide (CO{sub 2}), and/or methanol (CH{sub 3}OH) upon interaction with ionizing radiation. This investigation corroborates that carbonyl sulfide (OCS) and sulfur dioxide (SO{sub 2}) are the dominant sulfur-bearing molecules in interstellar ices.

  17. Electronic transport in biphenyl single-molecule junctions with carbon nanotubes electrodes: The role of molecular conformation and chirality

    SciTech Connect (OSTI)

    Brito Silva, C. A. Jr.; Granhen, E. R. [Pos-Graduacao em Engenharia Eletrica, Universidade Federal do Para, 66075-900 Belem, PA (Brazil); Silva, S. J. S. da; Leal, J. F. P. [Pos-Graduacao em Fisica, Universidade Federal do Para, 66075-110 Belem, PA (Brazil); Del Nero, J. [Departamento de Fisica, Universidade Federal do Para, 66075-110 Belem, PA (Brazil); Divisao de Metrologia de Materiais, Instituto Nacional de Metrologia, Normalizacao e Qualidade Industrial, 25250-020 Duque de Caxias, RJ (Brazil); Instituto de Fisica, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ (Brazil); Pinheiro, F. A. [Instituto de Fisica, Universidade Federal do Rio de Janeiro, 21941-972 Rio de Janeiro, RJ (Brazil)

    2010-08-15

    We investigate, by means of ab initio calculations, electronic transport in molecular junctions composed of a biphenyl molecule attached to metallic carbon nanotubes. We find that the conductance is proportional to cos{sup 2} {theta}, with {theta} the angle between phenyl rings, when the Fermi level of the contacts lies within the frontier molecular orbitals energy gap. This result, which agrees with experiments in biphenyl junctions with nonorganic contacts, suggests that the cos{sup 2} {theta} law has a more general applicability, irrespective of the nature of the electrodes. We calculate the geometrical degree of chirality of the junction, which only depends on the atomic positions, and demonstrate that it is not only proportional to cos{sup 2} {theta} but also is strongly correlated with the current through the system. These results indicate that molecular conformation plays the preponderant role in determining transport properties of biphenyl-carbon nanotubes molecular junctions.

  18. Ethylene insensitive plants

    DOE Patents [OSTI]

    Ecker, Joseph R.; Nehring, Ramlah; McGrath, Robert B.

    2007-05-22

    Nucleic acid and polypeptide sequences are described which relate to an EIN6 gene, a gene involved in the plant ethylene response. Plant transformation vectors and transgenic plants are described which display an altered ethylene-dependent phenotype due to altered expression of EIN6 in transformed plants.

  19. Novel membrane technology for green ethylene production.

    SciTech Connect (OSTI)

    Balachandran, U.; Lee, T. H.; Dorris, S. E.; Udovich, C. A.; Scouten, C. G.; Marshall, C. L.

    2008-01-01

    Ethylene is currently produced by pyrolysis of ethane in the presence of steam. This reaction requires substantial energy input, and the equilibrium conversion is thermodynamically limited. The reaction also produces significant amounts of greenhouse gases (CO and CO{sub 2}) because of the direct contact between carbon and steam. Argonne has demonstrated a new way to make ethylene via ethane dehydrogenation using a dense hydrogen transport membrane (HTM) to drive the unfavorable equilibrium conversion. Preliminary experiments show that the new approach can produce ethylene yields well above existing pyrolysis technology and also significantly above the thermodynamic equilibrium limit, while completely eliminating the production of greenhouse gases. With Argonne's approach, a disk-type dense ceramic/metal composite (cermet) membrane is used to produce ethylene by dehydrogenation of ethane at 850 C. The gas-transport membrane reactor combines a reversible chemical reaction with selective separation of one product species and leads to increased reactant conversion to the desired product. In an experiment ethane was passed over one side of the HTM membrane and air over the other side. The hydrogen produced by the dehydrogenation of ethane was removed and transported through the HTM to the air side. The air provided the driving force required for the transport of hydrogen through the HTM. The reaction between transported hydrogen and oxygen in air can provide the energy needed for the dehydrogenation reaction. At 850 C and 1-atm pressure, equilibrium conversion of ethane normally limits the ethylene yield to 64%, but Argonne has shown that an ethylene yield of 69% with a selectivity of 88% can be obtained under the same conditions. Coking was not a problem in runs extending over several weeks. Further improved HTM materials will lower the temperature required for high conversion at a reasonable residence time, while the lower temperature will suppress unwanted side reactions and prolong membrane life. With the Argonne approach, oxygen does not contact the ethane/ethylene stream, so oxidation products are not formed. Consequently, higher selectivity to ethylene and fewer by-products can be achieved. Some benefits are: (1) Simplifies overall product purification and processing schemes; (2) Results in greater energy efficiency; (3) Completely eliminates greenhouse gases from the reactor section; and (4) Lowers the cost of the 'back end' purification train, which accounts for about 70% of the capital cost of a conventional ethylene production unit.

  20. On the radiolysis of ethylene ices by energetic electrons and implications to the extraterrestrial hydrocarbon chemistry

    SciTech Connect (OSTI)

    Zhou, Li; Maity, Surajit; Abplanalp, Matt; Turner, Andrew; Kaiser, Ralf I.

    2014-07-20

    The chemical processing of ethylene ices (C{sub 2}H{sub 4}) by energetic electrons was investigated at 11 K to simulate the energy transfer processes and synthesis of new molecules induced by secondary electrons generated in the track of galactic cosmic ray particles. A combination of Fourier transform infrared spectrometry (solid state) and quadrupole mass spectrometry (gas phase) resulted in the identification of six hydrocarbon molecules: methane (CH{sub 4}), the C2 species acetylene (C{sub 2}H{sub 2}), ethane (C{sub 2}H{sub 6}), the ethyl radical (C{sub 2}H{sub 5}), andfor the very first time in ethylene irradiation experimentsthe C4 hydrocarbons 1-butene (C{sub 4}H{sub 8}) and n-butane (C{sub 4}H{sub 10}). By tracing the temporal evolution of the newly formed molecules spectroscopically online and in situ, we were also able to fit the kinetic profiles with a system of coupled differential equations, eventually providing mechanistic information, reaction pathways, and rate constants on the radiolysis of ethylene ices and the inherent formation of smaller (C1) and more complex (C2, C4) hydrocarbons involving carbon-hydrogen bond ruptures, atomic hydrogen addition processes, and radical-radical recombination pathways. We also discuss the implications of these results on the hydrocarbon chemistry on Titan's surface and on ice-coated, methane-bearing interstellar grains as present in cold molecular clouds such as TMC-1.

  1. Recovery and purification of ethylene

    DOE Patents [OSTI]

    Reyneke, Rian; Foral, Michael J.; Lee, Guang-Chung; Eng, Wayne W. Y.; Sinclair, Iain; Lodgson, Jeffery S.

    2008-10-21

    A process for the recovery and purification of ethylene and optionally propylene from a stream containing lighter and heavier components that employs an ethylene distributor column and a partially thermally coupled distributed distillation system.

  2. Los Alamos scientists detect and track single molecules with...

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

    molecules with nanoscale carbon cylinders Researchers have now shown that semiconducting carbon nanotubes have the potential to detect and track single molecules in water. January...

  3. Resilience of all-carbon molecules C sub 60 , C sub 70 , and C sub 84 : A surface-scattering time-of-flight investigation

    SciTech Connect (OSTI)

    Beck, R.D.; St. John, P.; Alvarez, M.M.; Diederich, F.; Whetten, R.L. )

    1991-10-17

    Ion beam scattering experiments on the larger carbon molecules (C{sub 60}{sup {plus minus}}, C{sub 70}{sup +} C{sub 80}{sup +}) demonstrate their exceptionally high stability with respect to impact-induced fragmentation processes. The charged molecules are formed by ultraviolet laser desorption of high purity molecular samples into a pulsed helium jet. Extracted ions impact Si(100) or graphite (0001) in a high-resolution ion beam/surface collider with mass time-of-flight and angular analysis. Collisions are highly inelastic processes: a large fraction of the entire perpendicular momentum component is lost, and 60 {plus minus} 20% of the component is either lost or exchanged. No more than 10% of the incident ions are returned, which is attributed to neutralization during the collision event. In contrast to all molecular ions (benzene and naphthalene cations) and cluster (alkali-metal halides), these molecules exhibit no evidence for impact-induced fragmentation, even at impact energies exceeding 200 eV. In the case of C{sub 60}{sup {minus}}, both the intact parent ion and ejected electrons are detected, with the latter becoming dominant above 120 eV impact energy. C{sub 60}{sup +} is found to have an exceptionally low energy threshold for inducing sputtering processes of adsorbed overlayers on graphite. Some of these results may be interpretable in terms of the unique structural-energetic characteristics of the fullerene family. The results are compared to recent computer simulations of the impact event, which predict high resilience for these molecules.

  4. NREL Produces Ethylene via Photosynthesis (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-11-01

    Environmentally friendly process offers intriguing alternative to fossil-fuel-based ethylene for chemicals and transportation fuels.

  5. Spectroscopic characterization of discharge products in Li-Air cells with aprotic carbonate electrolytes

    SciTech Connect (OSTI)

    Veith, Gabriel M; Nanda, Jagjit; Howe, Jane Y; Dudney, Nancy J

    2011-01-01

    Raman, infrared and X-ray photoelectron spectroscopies were used to characterize the thick coating of reaction products on carbon and MnO2 coated carbon cathodes produced during discharge of Li-air cells. The results show that neither Li2O2 or Li2O are major components of the insoluble discharge products; instead the products are largely composed of fluorine, lithium, and carbon, with surprisingly little oxygen. The complex reaction chemistry also appears to involve the formation of ethers or alkoxide products at the expense of the carbonate solvent molecules (ethylene carbonate and dimethylcarbonate). The irreversible discharge reaction is likely electrochemically promoted with Li-anion species and dissolved oxygen. Exactly how the molecular O2 participates in the reaction is unclear and requires further study. The addition of a conformal coating of MnO2 on the carbon lowers the cell s operating voltage, but does not alter the overall discharge chemistry.

  6. Energy conservation in ethylene production

    SciTech Connect (OSTI)

    Kobayashi, N.

    1983-10-01

    The petrochemical industry is one of the most important industries and is of critical importance to the steel industry, petroleum refining industry and other heavy-and-chemical industries. These heavy-andchemical industries are the basis of the driving and growing force of the Japanese economic progress. And these industries consume a large amount of material and energy. Last year, the Chiba Plant won a commendation for being an excellent energy-controlling plant by the Chief of Resources and Energy Office. It was the first commendation among the many ethylene units. In light of this, the authors have prepared a review of the efforts in the field of saving energy in ethylene unit.

  7. Biocatalytic conversion of ethylene to ethylene oxide using an engineered toluene monooxygenase

    SciTech Connect (OSTI)

    Carlin, DA; Bertolani, SJ; Siegel, JB

    2015-01-01

    Mutants of toluene o-xylene monooxygenase are demonstrated to oxidize ethylene to ethylene oxide in vivo at yields of >99%. The best mutant increases ethylene oxidation activity by >5500-fold relative to the native enzyme. This is the first report of a recombinant enzyme capable of carrying out this industrially significant chemical conversion.

  8. Covalent Bonding in Actinide Sandwich Molecules

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

    rows) mix with orbitals of carbon in various configurations has been the subject of debate. Development of more precise models of the electronic structure in molecules with...

  9. Poly(ethylene oxide) functionalization

    DOE Patents [OSTI]

    Pratt, Russell Clayton

    2014-04-08

    A simple procedure is provided by which the hydroxyl termini of poly(ethylene oxide) can be appended with functional groups to a useful extent by reaction and precipitation. The polymer is dissolved in warmed toluene, treated with an excess of organic base and somewhat less of an excess of a reactive acylating reagent, reacted for several hours, then precipitated in isopropanol so that the product can be isolated as a solid, and salt byproducts are washed away. This procedure enables functionalization of the polymer while not requiring laborious purification steps such as solvent-solvent extraction or dialysis to remove undesirable side products.

  10. Ethanol Dehydration to Ethylene in a Stratified Autothermal Millisecond Reactor

    SciTech Connect (OSTI)

    Skinner, MJ; Michor, EL; Fan, W; Tsapatsis, M; Bhan, A; Schmidt, LD

    2011-08-10

    The concurrent decomposition and deoxygenation of ethanol was accomplished in a stratified reactor with 50-80 ms contact times. The stratified reactor comprised an upstream oxidation zone that contained Pt-coated Al(2)O(3) beads and a downstream dehydration zone consisting of H-ZSM-5 zeolite films deposited on Al(2)O(3) monoliths. Ethanol conversion, product selectivity, and reactor temperature profiles were measured for a range of fuel:oxygen ratios for two autothermal reactor configurations using two different sacrificial fuel mixtures: a parallel hydrogen-ethanol feed system and a series methane-ethanol feed system. Increasing the amount of oxygen relative to the fuel resulted in a monotonic increase in ethanol conversion in both reaction zones. The majority of the converted carbon was in the form of ethylene, where the ethanol carbon-carbon bonds stayed intact while the oxygen was removed. Over 90% yield of ethylene was achieved by using methane as a sacrificial fuel. These results demonstrate that noble metals can be successfully paired with zeolites to create a stratified autothermal reactor capable of removing oxygen from biomass model compounds in a compact, continuous flow system that can be configured to have multiple feed inputs, depending on process restrictions.

  11. Methods and compositions to modulate ethylene sensitivity

    DOE Patents [OSTI]

    Stepanova, Anna N.; Ecker, Joseph R.

    2007-01-30

    The field of the invention relates to plants and plant genes, including both plant mutants and transgenic plants containing a gene that confers an ethylene insensitive phenotype. Also encompassed by the invention are methods of using the disclosed plant gene to confer an ethylene insensitive phenotype.

  12. Ethylene plant commissioned at Corpus Christi

    SciTech Connect (OSTI)

    Not Available

    1984-01-01

    Ethylene Plant Commissioned at Corpus Christi. Corpus Christi Petrochemical Co. has commissioned its $600 million ethylene plant at Corpus Christi, Tex. Plant capacities include 1.2 billion lb/yr of ethylene, 560 million lb/yr of propylene, 400 million lb/yr of crude butadiene mixture, 60 million gal of benzene, 45 million gal of gasoline blending components, and 50 million gal of fuel oils. The ethylene and propylene will be transported by pipeline to Houston for further processing. At the Corpus Christi facilities, process pressures range from full vacuum to 1800 psig, and process temperatures range from -260/sup 0/ to +1600/sup 0/F. The plant uses gas oil and naphtha as feedstock, but also has some flexibility to use ethane or LPG as feedstock. Stone and Webster Engineering Corp. engineered and Brown and Root Inc. built the plant.

  13. Overcoming substrate limitations for improved production of ethylene in E. coli

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lynch, Sean; Eckert, Carrie; Yu, Jianping; Gill, Ryan; Maness, Pin -Ching

    2016-01-04

    Ethylene is an important industrial compound for the production of a wide variety of plastics and chemicals. At present, ethylene production involves steam cracking of a fossil-based feedstock, representing the highest CO2-emitting process in the chemical industry. Biological ethylene production can be achieved via expression of a single protein, the ethylene-forming enzyme (EFE), found in some bacteria and fungi; it has the potential to provide a sustainable alternative to steam cracking, provided that significant increases in productivity can be achieved. A key barrier is determining factors that influence the availability of substrates for the EFE reaction in potential microbial hosts.more » In the presence of O2, EFE catalyzes ethylene formation from the substrates α-ketoglutarate (AKG) and arginine. The concentrations of AKG, a key TCA cycle intermediate, and arginine are tightly controlled by an intricate regulatory system that coordinates carbon and nitrogen metabolism. Thus, reliably predicting which genetic changes will ultimately lead to increased AKG and arginine availability is challenging.« less

  14. Subcooled Flow Boiling Heat Transfer to Water and Ethylene Glycol...

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

    Subcooled Flow Boiling Heat Transfer to Water and Ethylene GlycolWater Mixtures in a Bottom-Heated Tube Title Subcooled Flow Boiling Heat Transfer to Water and Ethylene Glycol...

  15. Two-electron reduction of ethylene carbonate: theoretical review...

    Office of Scientific and Technical Information (OSTI)

    DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Proposed for presentation at the CERC all-hands meeting held August 27-28, 2012 in Ann ...

  16. The flash pyrolysis and methanolysis of biomass (wood) for production of ethylene, benzene and methanol

    SciTech Connect (OSTI)

    Steinberg, M.; Fallon, P.T.; Sundaram, M.S.

    1990-02-01

    The process chemistry of the flash pyrolysis of biomass (wood) with the reactive gases, H{sub 2} and CH{sub 4} and with the non-reactive gases He and N{sub 2} is being determined in a 1 in. downflow tubular reactor at pressures from 20 to 1000 psi and temperatures from 600 to 1000{degrees}C. With hydrogen, flash hydropyrolysis leads to high yields of methane and CO which can be used for SNG and methanol fuel production. With methane, flash methanolysis leads to high yields of ethylene, benzene and CO which can be used for the production of valuable chemical feedstocks and methanol transportation fuel. At reactor conditions of 50 psi and 1000{degrees}C and approximately 1 sec residence time, the yields based on pine wood carbon conversion are up to 25% for ethylene, 25% for benzene, and 45% for CO, indicating that over 90% of the carbon in pine is converted to valuable products. Pine wood produces higher yields of hydrocarbon products than Douglas fir wood; the yield of ethylene is 2.3 times higher with methane than with helium or nitrogen, and for pine, the ratio is 7.5 times higher. The mechanism appears to be a free radical reaction between CH{sub 4} and the pyrolyzed wood. There appears to be no net production or consumption of methane. A preliminary process design and analysis indicates a potentially economical competitive system for the production of ethylene, benzene and methanol based on the methanolysis of wood. 10 refs., 18 figs., 1 tab.

  17. Low capital implementation of distributed distillation in ethylene recovery

    DOE Patents [OSTI]

    Reyneke, Rian; Foral, Michael J.; Lee, Guang-Chung

    2006-10-31

    An apparatus for recovering ethylene from a hydrocarbon feed stream, where the apparatus is a single distillation column pressure shell encasing an upper region and a lower region. The upper region houses an ethylene distributor rectifying section and the lower region houses a C2 distributor section and an ethylene distributor stripping section. Vapor passes from the lower region into the upper region, and liquid passes from the upper region to the lower region. The process for recovering the ethylene is also disclosed. The hydrocarbon feed stream is introduced into the C2 distributor section, and after a series of stripping and refluxing steps, distinct hydrocarbon products are recovered from the C2 distributor section, the ethylene distributor stripping section, and the ethylene distributor rectifying section, respectively.

  18. Decomposition of chlorinated ethylenes and ethanes in an electron beam generated plasma reactor

    SciTech Connect (OSTI)

    Vitale, S.A.

    1996-02-01

    An electron beam generated plasma reactor (EBGPR) is used to determine the plasma chemistry kinetics, energetics and decomposition pathways of six chlorinated ethylenes and ethanes: 1,1,1-trichloroethane, 1,1-dichloroethane, ethyl chloride, trichloroethylene, 1,1-dichloroethylene, and vinyl chloride. A traditional chemical kinetic and chemical engineering analysis of the data from the EBGPR is performed, and the following hypothesis was verified: The specific energy required for chlorinated VOC decomposition in the electron beam generated plasma reactor is determined by the electron attachment coefficient of the VOC and the susceptibility of the molecule to radical attack. The technology was demonstrated at the Hanford Reservation to remove VOCs from soils.

  19. NREL Produces Ethylene via Photosynthesis - News Releases | NREL

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

    Produces Ethylene via Photosynthesis Environmentally-friendly process offers intriguing alternative to fossil-fuel based ethylene for chemicals and transportation fuels September 25, 2012 Scientists at the U.S. Department of Energy's National Renewable Energy Laboratory (NREL) have demonstrated a better way to use photosynthesis to produce ethylene, a breakthrough that could change the way materials, chemicals, and transportation fuels are made, and help clean the air. NREL scientists introduced

  20. Alloys for Ethylene Production Furnaces - Energy Innovation Portal

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

    Industrial Technologies Industrial Technologies Advanced Materials Advanced Materials Find More Like This Return to Search Alloys for Ethylene Production Furnaces Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryEthylene production is one of the most energy intensive processes in the chemical industry, due to the decoking necessary to maintain ethylene furnace tubes. DescriptionOak Ridge National Laboratory and its industrial partners are developing

  1. Metal catalyzed synthesis of hyperbranched ethylene and/or .alpha.-olefin polymers

    DOE Patents [OSTI]

    Sen, Ayusman; Kim, Jang Sub; Pawlow, James H.; Murtuza, Shahid; Kacker, Smita; Wojcinski, III, Louis M.

    2001-01-01

    Oily hyperbranched polymers derived from ethylene, propylene, butene and/or a C.sub.5 -C.sub.24 .alpha.-olefin, and a method for their synthesis, are disclosed. The polymers have non-regular microstructures and are characterized by a ratio ({character pullout})of methyl hydrogens centered around 0.85 ppm on the 1H-NMR spectra of the polymers relative to total aliphatic hydrogens of from about 0.40 to about 0.65 for polymers derived from ethylene or butene, and a ratio ({character pullout})of from greater than 0.50 to about 0.65 for polymers derived from propylene. A method for grafting hyperbranched polymers derived from ethylene, propylene, butene and/or a C.sub.5 -C.sub.24 .alpha.-olefin onto aromatic rings in organic molecules and polymers, and the resulting grafted materials, are also disclosed. The hyperbranched polymers and grafted materials are useful, for example, as lubricants and lubricant additives.

  2. Dehydration and Dehydrogenation of Ethylene Glycol on Rutile...

    Office of Scientific and Technical Information (OSTI)

    dehydration yielding ethylene and water and dehydrogenation yielding acetaldehyde and hydrogen. Hydrogen formation is rather surprising as it has not been observed previously on...

  3. Northern U. K. NGL, ethylene systems expand

    SciTech Connect (OSTI)

    True, W.R.

    1993-03-08

    Construction culminated last year along a 994-mile, gas-liquids pipeline and processing system from the northern and central North Sea to the Stanlow petrochemical complex in the west of England. The paper describes the major additions to the system; plans for the Scottish Area Gas Evacuation (SAGE) system; the terminal facilities at St. Fergus, located north of Aberdeen, the hub for the gas-liquids system; the expansion of the Mossmorran NGL plant; and Shell's new 256-mile North Western Ethylene Pipeline from Grangemouth, Scotland to Stanlow, England.

  4. Activated carbon to the rescue

    SciTech Connect (OSTI)

    Sen, S.

    1996-03-01

    This article describes the response to pipeline spill of ethylene dichloride (EDC) on the property of an oil company. Activated carbon cleanup proceedure was used. During delivery, changeout, transport, storage, thermal reactivation, and return delivery to the site, the carbon never came into direct contact with operating personnel or the atmosphere. More than 10,000 tones of dredge soil and 50 million gallons of surface water were processed during the emergency response.

  5. Leak detection on an ethylene pipeline

    SciTech Connect (OSTI)

    Hamande, A.; Condacse, V.; Modisette, J.

    1995-12-31

    A model-based leak detection system has been in operation on the Solvay et Cie ethylene pipeline from Antwerp to Jemeppe on Sambre since 1989. The leak detection system, which is the commercial product PLDS of Modisette Associations, Inc., was originally installed by the supplier. Since 1991, all system maintenance and configuration changes have been done by Solvay et Cie personnel. Many leak tests have been performed, and adjustments have been made in the configuration and the automatic tuning parameters. The leak detection system is currently able to detect leaks of 2 tonnes/hour in 11 minutes with accurate location. Larger leaks are detected in about 2 minutes. Leaks between 0.5 and 1 tonne per hour are detected after several hours. (The nominal mass flow in the pipeline is 15 tonnes/hour, with large fluctuations.) Leaks smaller than 0.5 tonnes per hour are not detected, with the alarm thresholds set at levels to avoid false alarms. The major inaccuracies of the leak detection system appear to be associated with the ethylene temperatures.

  6. New system pinpoints leaks in ethylene pipeline

    SciTech Connect (OSTI)

    Hamande, A.; Condacse, V.; Modisette, J.

    1995-04-01

    A model-based leak detection, PLDS, developed by Modisette Associates, Inc., Houston has been operating on the Solvay et Cie ethylene pipeline since 1989. The 6-in. pipeline extends from Antwerp to Jemeppe sur Sambre, a distance of 73.5 miles and is buried at a depth of 3 ft. with no insulation. Except for outlets to flares, located every 6 miles for test purposes, there are no injections or deliveries along the pipeline. Also, there are block valves, which are normally open, at each flare location. This paper reviews the design and testing procedures used to determine the system performance. These tests showed that the leak system was fully operational and no false alarms were caused by abrupt changes in inlet/outlet flows of the pipeline. It was confirmed that leaks larger than 2 tonnes/hr. (40 bbl/hr) are quickly detected and accurately located. Also, maximum leak detection sensitivity is 1 tonne/hr. (20 bbl/hr) with a detection time of one hour. Significant operational, configuration, and programming issues also were found during the testing program. Data showed that temperature simulations needed re-examining for improvement since accurate temperature measurements are important. This is especially true for ethylene since its density depends largely on temperature. Another finding showed the averaging period of 4 hrs. was too long and a 1 to 2 hr. interval was better.

  7. Mechanism of hydrogenation of ethylene via photoproduced unsaturated iron carbonyl in the gas phase

    SciTech Connect (OSTI)

    Onda, Ken; Takahashi, Makoto ); Ishikawa, Yoishi; Sugita, Kyoko; Tanaka, Kazunori; Arai, Shigeyoshi ); Rayner, D.M.; Hackett, P.A. )

    1991-01-24

    The hydrogenation of ethylene via photoproduced coordinatively unsaturated iron carbonyls in the gas phase has been investigated by measuring deuterium distribution in ethanes produced following photolysis of mixtures of Fe(CO){sub 5}, C{sub 2}H{sub 4}, and hydrogen (D{sub 2} or D{sub 2}/H{sub 2}) by monochromatic CW-UV light (ca. 250 nm). When mixtures of Fe(CO){sub 5}, C{sub 2}H{sub 4}, and D{sub 2} are photolyzed, only ethane-1,2-d{sub 2} and ethane-1,1-d{sub 2} are produced. The ratio of ethane-1,2-d{sub 2} to ethane-1,1-d{sub 2}, ranges from 1.5 to 1.9 but does not depend on the irradiation time. When a mixture containing Fe(CO){sub 5}, C{sub 2}H{sub 4}, H{sub 2}, and D{sub 2} was photolyzed, the only additional product was C{sub 2}H{sub 6}. Ethane-d{sub 1} was not observed. These results suggest that both deuterated ethanes are produced in the primary hydrogenation process and that one ethylene molecule reacts with one hydrogen molecule on the metal. Possible hydrogenation mechanisms are discussed in light of the observed results.

  8. Cool Magnetic Molecules

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

    and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule...

  9. Plants having modified response to ethylene

    DOE Patents [OSTI]

    Meyerowitz, E.M.; Chang, C.; Bleecker, A.B.

    1998-10-20

    The invention includes transformed plants having at least one cell transformed with a modified ETR nucleic acid. Such plants have a phenotype characterized by a decrease in the response of at least one transformed plant cell to ethylene as compared to a plant not containing the transformed plant cell. Tissue and/or temporal specificity for expression of the modified ETR nucleic acid is controlled by selecting appropriate expression regulation sequences to target the location and/or time of expression of the transformed nucleic acid. The plants are made by transforming at least one plant cell with an appropriate modified ETR nucleic acid, regenerating plants from one or more of the transformed plant cells and selecting at least one plant having the desired phenotype. 67 figs.

  10. Plants having modified response to ethylene

    DOE Patents [OSTI]

    Meyerowitz, E.M.; Chang, C.; Bleecker, A.B.

    1997-11-18

    The invention includes transformed plants having at least one cell transformed with a modified ETR nucleic acid. Such plants have a phenotype characterized by a decrease in the response of at least one transformed plant cell to ethylene as compared to a plant not containing the transformed plant cell. Tissue and/or temporal specificity for expression of the modified ETR nucleic acid is controlled by selecting appropriate expression regulation sequences to target the location and/or time of expression of the transformed nucleic acid. The plants are made by transforming at least one plant cell with an appropriate modified ETR nucleic acid, regenerating plants from one or more of the transformed plant cells and selecting at least one plant having the desired phenotype. 31 figs.

  11. Plants having modified response to ethylene

    DOE Patents [OSTI]

    Meyerowitz, Elliott M.; Chang, Caren; Bleecker, Anthony B.

    1997-01-01

    The invention includes transformed plants having at least one cell transformed with a modified ETR nucleic acid. Such plants have a phenotype characterized by a decrease in the response of at least one transformed plant cell to ethylene as compared to a plant not containing the transformed plant cell. Tissue and/or temporal specificity for expression of the modified ETR nucleic acid is controlled by selecting appropriate expression regulation sequences to target the location and/or time of expression of the transformed nucleic acid. The plants are made by transforming at least one plant cell with an appropriate modified ETR nucleic acid, regenerating plants from one or more of the transformed plant cells and selecting at least one plant having the desired phenotype.

  12. Plants having modified response to ethylene

    DOE Patents [OSTI]

    Meyerowitz, Elliot M.; Chang, Caren; Bleecker, Anthony B.

    1998-01-01

    The invention includes transformed plants having at least one cell transformed with a modified ETR nucleic acid. Such plants have a phenotype characterized by a decrease in the response of at least one transformed plant cell to ethylene as compared to a plant not containing the transformed plant cell. Tissue and/or temporal specificity for expression of the modified ETR nucleic acid is controlled by selecting appropriate expression regulation sequences to target the location and/or time of expression of the transformed nucleic acid. The plants are made by transforming at least one plant cell with an appropriate modified ETR nucleic acid, regenerating plants from one or more of the transformed plant cells and selecting at least one plant having the desired phenotype.

  13. Highly selective catalytic process for synthesizing 1-hexene from ethylene

    DOE Patents [OSTI]

    Sen, Ayusman; Murtuza, Shahid; Harkins, Seth B.; Andes, Cecily

    2002-01-01

    Ethylene is trimerized to form 1-hexene, at a selectivity of up to about 99 mole percent, by contacting ethylene, at an ethylene pressure of from about 200-1500 psig and at a reaction temperature of from about 0.degree. C. to about 100.degree. C., with a catalyst comprising a tantalum compound (e.g., TaCl.sub.5) and a alkylating component comprising a metal hydrocarbyl compound or a metal hydrocarbyl halide compound (e.g., Sn(CH.sub.3).sub.4).

  14. Lithium Ethylene Dicarbonate Identified as the Primary Product...

    Office of Scientific and Technical Information (OSTI)

    Lithium Ethylene Dicarbonate Identified as the Primary Product ofChemical and Electrochemical Reduction of EC in EC:EMC1.2M LiPF6Electrolyte Citation Details In-Document Search ...

  15. Final Technical Report - High-Performance, Oxide-Dispersion-Strengthened Tubes for Production of Ethylene adn Other Industrial Chemicals

    SciTech Connect (OSTI)

    McKimpson, Marvin G.

    2006-04-06

    This project was undertaken by Michigan Technological University and Special Metals Corporation to develop creep-resistant, coking-resistant oxide-dispersion-strengthened (ODS) tubes for use in industrial-scale ethylene pyrolysis and steam methane reforming operations. Ethylene pyrolysis tubes are exposed to some of the most severe service conditions for metallic materials found anywhere in the chemical process industries, including elevated temperatures, oxidizing atmospheres and high carbon potentials. During service, hard deposits of carbon (coke) build up on the inner wall of the tube, reducing heat transfer and restricting the flow of the hydrocarbon feedstocks. About every 20 to 60 days, the reactor must be taken off-line and decoked by burning out the accumulated carbon. This decoking costs on the order of $9 million per year per ethylene plant, accelerates tube degradation, and requires that tubes be replaced about every 5 years. The technology developed under this program seeks to reduce the energy and economic cost of coking by creating novel bimetallic tubes offering a combination of improved coking resistance, creep resistance and fabricability not available in current single-alloy tubes. The inner core of this tube consists of Incoloy(R) MA956, a commercial ferritic Fe-Cr-Al alloy offering a 50% reduction in coke buildup combined with improved carburization resistance. The outer sheath consists of a new material - oxide dispersion strengthened (ODS) Alloy 803(R) developed under the program. This new alloy retains the good fireside environmental resistance of Alloy 803, a commercial wrought alloy currently used for ethylene production, and provides an austenitic casing to alleviate the inherently-limited fabricability of the ferritic Incoloy(R) MA956 core. To provide mechanical compatibility between the two alloys and maximize creep resistance of the bimetallic tube, both the inner Incoloy(R) MA956 and the outer ODS Alloy 803 are oxide dispersion strengthened materials produced using mechanical alloying technology. To minimize cost, the bimetallic tube is produced by direct powder co-extrusion. This technology has potential for domestic energy savings of up to 4.1 trillion BTU/year (4.3 x 1015J/year) and a reduction of 370,000 tons (340,000 tonnes) of CO2 emissions in short-residence-time ethylene furnaces. This represents an energy savings and CO2 emissions reduction of about 3.3%. If the technology is also applied to other types of ethylene pyrolysis furnaces, total energy savings and CO2 emissions reductions could increase by up to five times. The work involved: Developing powder and consolidation processing protocols to produce an oxide-dispersion strengthened variant of Alloy 803 exhibiting creep strength comparable to Incoloy? Alloy MA956, Developing a direct powder co-extrusion protocol for fabricating co-extruded bimetallic Incoloy? Alloy MA956 / ODS Alloy 803 tubes, Characterizing the properties of the ODS Alloy 803 material, the welding characteristics of the bimetallic tubes, and the coking characteristics of the Incoloy? MA956 alloy, and Documenting the potential energy savings and user requirements for these bimetallic pyrolysis furnace tubes. The project demonstrated that oxide dispersion strengthened Alloy 803 can be produced successfully using conventional mechanical alloying technology. The oxide dispersion strengthened bimetallic radiant coil technology explored under this program has significant potential for energy savings and productivity improvements for domestic ethylene producers. In today's competitive market, however, domestic furnace manufacturers and ethylene producers appear reluctant to pay any cost premium for higher-performance coil materials offering either higher temperature capabilities or longer service life. Interest in oxide dispersion strengthened radiant coils is likely to increase if furnace and ethylene producers begin to focus more on increasing tube wall temperatures to improve productivity.

  16. Cool Magnetic Molecules

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

    Cool Magnetic Molecules Cool Magnetic Molecules Print Wednesday, 25 May 2011 00:00 Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost

  17. Raman spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde

    Office of Scientific and Technical Information (OSTI)

    and propane for combustion applications (Journal Article) | SciTech Connect Raman spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane for combustion applications Citation Details In-Document Search This content will become publicly available on May 27, 2017 Title: Raman spectra of methane, ethylene, ethane, dimethyl ether, formaldehyde and propane for combustion applications Authors: Magnotti, G. ; KC, U. ; Varghese, P. L. ; Barlow, R. S. Publication Date:

  18. Nanodevices for generating power from molecules and batteryless sensing

    DOE Patents [OSTI]

    Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

    2015-06-09

    A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

  19. Nanodevices for generating power from molecules and batteryless sensing

    DOE Patents [OSTI]

    Wang, Yinmin; Wang, Xianying; Hamza, Alex V.

    2014-07-15

    A nanoconverter or nanosensor is disclosed capable of directly generating electricity through physisorption interactions with molecules that are dipole containing organic species in a molecule interaction zone. High surface-to-volume ratio semiconductor nanowires or nanotubes (such as ZnO, silicon, carbon, etc.) are grown either aligned or randomly-aligned on a substrate. Epoxy or other nonconductive polymers are used to seal portions of the nanowires or nanotubes to create molecule noninteraction zones. By correlating certain molecule species to voltages generated, a nanosensor may quickly identify which species is detected. Nanoconverters in a series parallel arrangement may be constructed in planar, stacked, or rolled arrays to supply power to nano- and micro-devices without use of external batteries. In some cases breath, from human or other life forms, contain sufficient molecules to power a nanoconverter. A membrane permeable to certain molecules around the molecule interaction zone increases specific molecule nanosensor selectivity response.

  20. Cool Magnetic Molecules

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

    of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." ...

  1. Cool Magnetic Molecules

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

    Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability

  2. Cool Magnetic Molecules

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

    Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability

  3. Cool Magnetic Molecules

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

    Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability

  4. [Transition metal mediated transformations of small molecules

    SciTech Connect (OSTI)

    Sen, A.

    1992-01-01

    Work on organotransition metal chemistry, homogeneous and heterogeneous catalysis is summarized. Several cationic palladium(II) complexes with bulky phosphine or pyridine ligands were discovered that are highly selective catalysts for linear dimerization of vinyl monomers and linear polymerization of p-divinylbenzene, the reactions proceeding through a carbocationic mechanism. Our studies were continued on alternating olefin-carbon monoxide copolymers. The copolymerization reaction and reactivity of copolymers were examined. New catalytic systems for alternating copolymerization of [alpha]-olefins with CO were discovered. In the case of styrene derivatives, tactic copolymers were obtained. Poly(ethylenepyrrolediyl) derivatives were synthesized from alternating ethylene-carbon monoxide copolymer and become electronic conductors when doped with iodine. A catalytic system for direct synthesis of polyureas and polyoxamides from and diamines was also discovered. Pt metal catalyzed the oxidation of ethers, esters, and amines to carboxylic acids and the oxidation of olefins to 1,2-diols. Anaerobic and aerobic decomposition of molybdenum(VI)-oxoalkyl compounds were studied for heterogeneous oxidation of alkanes and olefins on Mo(VI)-oxide surfaces. Synthesis of polymer-trapped metal, metal oxide, and metal sulfide nanoclusters (size <1--10 nm) was studied.

  5. Evolution of soot size distribution in premixed ethylene/air and ethylene/benzene/air flames: Experimental and modeling study

    SciTech Connect (OSTI)

    Echavarria, Carlos A.; Sarofim, Adel F.; Lighty, JoAnn S.; D'Anna, Andrea

    2011-01-15

    The effect of benzene concentration in the initial fuel on the evolution of soot size distribution in ethylene/air and ethylene/benzene/air flat flames was characterized by experimental measurements and model predictions of size and number concentration within the flames. Experimentally, a scanning mobility particle sizer was used to allow spatially resolved and online measurements of particle concentration and sizes in the nanometer-size range. The model couples a detailed kinetic scheme with a discrete-sectional approach to follow the transition from gas-phase to nascent particles and their coagulation to larger soot particles. The evolution of soot size distribution (experimental and modeled) in pure ethylene and ethylene flames doped with benzene showed a typical nucleation-sized (since particles do not actually nucleate in the classical sense particle inception is often used in place of nucleation) mode close to the burner surface, and a bimodal behavior at greater height above burner (HAB). However, major features were distinguished between the data sets. The growth of nucleation and agglomeration-sized particles was faster for ethylene/benzene/air flames, evidenced by the earlier presence of bimodality in these flames. The most significant changes in size distribution were attributed to an increase in benzene concentration in the initial fuel. However, these changes were more evident for high temperature flames. In agreement with the experimental data, the model also predicted the decrease of nucleation-sized particles in the postflame region for ethylene flames doped with benzene. This behavior was associated with the decrease of soot precursors after the main oxidation zone of the flames. (author)

  6. NREL Produces Ethylene via Photosynthesis (Fact Sheet), Highlights in Science, NREL (National Renewable Energy Laboratory)

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

    Environmentally friendly process offers intriguing alternative to fossil-fuel-based ethylene for chemicals and transportation fuels. Scientists at the National Renewable Energy Laboratory (NREL) have demonstrated a new way to use photosynthesis to produce ethylene. NREL scientists introduced a gene for ethylene forming enzyme (EFE) into a cyanobacterium and demonstrated that the organism remained stable through at least four generations, producing ethylene gas that could be easily captured.

  7. Ethylene is at the heart of the petrochemical industry, as about 80% of all

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

    Ethylene is at the heart of the petrochemical industry, as about 80% of all petrochemicals are derived from products of steam cracking ethylene plants. Ethane oxidative dehydrogenation (ODH) is an attractive alternative process for ethylene production. NiO-based catalysts have exhibited promising performance in ethane ODH. In particular, Ni-Nb-O mixed oxides constitute a low-temperature catalytic system exhibiting both high ethane conversion and high ethylene selectivity. Further improvement of

  8. High ethylene to ethane processes for oxidative coupling

    DOE Patents [OSTI]

    Chafin, R.B.; Warren, B.K.

    1991-12-17

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using a catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  9. High ethylene to ethane processes for oxidative coupling

    DOE Patents [OSTI]

    Chafin, Richard B.; Warren, Barbara K.

    1991-01-01

    Oxidative coupling of lower alkane to higher hydrocarbon is conducted using catalyst comprising barium and/or strontium component and a metal oxide combustion promoter in the presence of vapor phase halogen component. High ethylene to ethane mole ratios in the product can be obtained over extended operating periods.

  10. World ethylene and LPG past the 1980's

    SciTech Connect (OSTI)

    Baldwin, R.L.

    1986-01-01

    This paper examines the future of the US ethylene/petrochemical industry by addressing several questions: What are the characteristics of this industry when viewed in a worldwide context. What does the future hold for this industry. How will it fare in the world. Will things get better or worse.

  11. Low-Temperature Fluorination of Soft-Templated Mesoporous Carbons for a High-Power Lithium/Carbon Fluoride Battery

    SciTech Connect (OSTI)

    Fulvio, Pasquale F; Dai, Sheng; Guo, Bingkun; Mahurin, Shannon Mark; Mayes, Richard T; Sun, Xiao-Guang; Veith, Gabriel M; Brown, Suree; Adcock, Jamie

    2011-01-01

    Soft-templated mesoporous carbons and activated mesoporous carbons were fluorinated using elemental fluorine between room temperature and 235 C. The mesoporous carbons were prepared via self-assembly synthesis of phloroglucinol formaldehyde as a carbon precursor in the presence of triblock ethylene oxide propylene oxide ethylene oxide copolymer BASF Pluronic F127 as the template. The F/C ratios ranged from 0.15 to 0.75 according to gravimetric, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy analysis. Materials have mesopore diameters up to 11 nm and specific surface areas as high as 850 m2 g 1 after fluorination as calculated from nitrogen adsorption isotherms at 196 C. Furthermore, the materials exhibit higher discharge potentials and energy and power densities as well as faster reaction kinetics under high current densities than commercial carbon fluorides with similar fluorine contents when tested as cathodes for Li/CFx batteries.

  12. Roaming Molecule Dynamics

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

    Roaming Molecule Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste Management Programs

  13. Impacts to the ethylene supply chain from a hurricane disruption.

    SciTech Connect (OSTI)

    Sun, Amy Cha-Tien; Downes, Paula Sue; Heinen, Russell; Welk, Margaret Ellen

    2010-03-01

    Analysis of chemical supply chains is an inherently complex task, given the dependence of these supply chains on multiple infrastructure systems (e.g., the petroleum sector, transportation, etc.). This effort requires data and information at various levels of resolution, ranging from network-level distribution systems to individual chemical reactions. Sandia National Laboratories (Sandia) has integrated its existing simulation and infrastructure analysis capabilities with chemical data models to analyze the chemical supply chains of several nationally critical chemical commodities. This paper describes how Sandia models the ethylene supply chain; that is, the supply chain for the most widely used raw material for plastics production including a description of the types of data and modeling capabilities that are required to represent the ethylene supply chain. The paper concludes with a description of Sandia's use the model to project how the supply chain would be affected by and adapt to a disruptive scenario hurricane.

  14. Process for the production of ethylene and other hydrocarbons from coal

    DOE Patents [OSTI]

    Steinberg, M.; Fallon, P.

    1984-02-15

    The subject invention comprises the steps of first reacting particulate coal with methane at a temperature in the approximate range of 500/sup 0/C to 1100/sup 0/C and at a partial pressure of methane of less than about 200 psig for a period of less than 10 seconds. More preferably, the method of the subject invention is carried out at a temperature of approximately 850/sup 0/C to 1000/sup 0/C and a pressure of 50 psig for a period of approximately 1.5 seconds. Surprisingly, it has been found that in the practice of the subject invention not only are commercially significant quantities of ethylene produced, namely yields in excess of 10% (percent carbon converted to product), along with economically significant quantities of-benzene and light oils, namely toluene and xylene, but also that there is little, if any, net consumption of methane in the reaction and possibly even a small net production. Since it is apparent that the carbonaceous solids or char remaining after the reaction is carried out may be burned to provide the necessary energy to carry out the process of the subject invention, it is apparent that the subject invention advantageously provides a method for the conversion of coal to economically significant quantities of ethylene, benzene and light oils while requiring only coal and, possibly, small amounts of make-up methane. Other objects and advantages of the subject invention will be apparent to those skilled in the art from a consideration of the attached drawings, the detailed description of the invention, and the experimental examples set forth below.

  15. Carbon nanotubes on a substrate

    DOE Patents [OSTI]

    Gao, Yufei [Kennewick, WA; Liu, Jun [West Richland, WA

    2002-03-26

    The present invention includes carbon nanotubes whose hollow cores are 100% filled with conductive filler. The carbon nanotubes are in uniform arrays on a conductive substrate and are well-aligned and can be densely packed. The uniformity of the carbon nanotube arrays is indicated by the uniform length and diameter of the carbon nanotubes, both which vary from nanotube to nanotube on a given array by no more than about 5%. The alignment of the carbon nanotubes is indicated by the perpendicular growth of the nanotubes from the substrates which is achieved in part by the simultaneous growth of the conductive filler within the hollow core of the nanotube and the densely packed growth of the nanotubes. The present invention provides a densely packed carbon nanotube growth where each nanotube is in contact with at least one nearest-neighbor nanotube. The substrate is a conductive substrate coated with a growth catalyst, and the conductive filler can be single crystals of carbide formed by a solid state reaction between the substrate material and the growth catalyst. The present invention further provides a method for making the filled carbon nanotubes on the conductive substrates. The method includes the steps of depositing a growth catalyst onto the conductive substrate as a prepared substrate, creating a vacuum within a vessel which contains the prepared substrate, flowing H2/inert (e.g. Ar) gas within the vessel to increase and maintain the pressure within the vessel, increasing the temperature of the prepared substrate, and changing the H2/Ar gas to ethylene gas such that the ethylene gas flows within the vessel. Additionally, varying the density and separation of the catalyst particles on the conductive substrate can be used to control the diameter of the nanotubes.

  16. Novel Membrane Technology for Green Ethylene Production - Energy Innovation

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

    Portal Find More Like This Return to Search Novel Membrane Technology for Green Ethylene Production Argonne National Laboratory Contact ANL About This Technology <p> Dehydrogenation1: This image is an electron micrograph of the Argonne catalytic membrane (side view).&nbsp; By decreasing the thickness and the overall hydrogen flux, researchers have dramatically improved the overall reactivity.</p> Dehydrogenation1: This image is an electron micrograph of the Argonne catalytic

  17. Ethylene Production Via Sunlight Opens Door to Future - News Feature | NREL

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

    Ethylene Production Via Sunlight Opens Door to Future July 31, 2015 A scientist holds a petri dish containing algae. NREL scientist Jianping Yu holds a petri dish of cyanobacteria culture being grown in his lab. He is working to cultivate various genetically engineered strains to promote ethylene production. Photo by Dennis Schroeder Here's the future of ethylene production as Dr. Jianping Yu sees it. "We envision some farms in the field that cover many acres. We will have cyanobacteria

  18. NREL Produces Ethylene via Photosynthesis; Breakthrough Offers Cleaner Alternative for Transportation Fuels

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

    Produces Ethylene Via Photosynthesis; Breakthrough Offers Cleaner Alternative for Transportation Fuels Ethylene is the most widely produced petrochemical feedstock in the world, and it currently is produced commercially only from fossil fuels, resulting in significant greenhouse gas emissions. But scientists at the National Renewable Energy Labora- tory (NREL) have demonstrated a way to produce ethylene through photosynthesis, a breakthrough that could lead to more environmentally friendly ways

  19. NREL Produces Ethylene via Photosynthesis; Breakthrough Offers Cleaner Alternative for Transportation Fuels (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2013-08-01

    NREL scientists have demonstrated a way to produce ethylene through photosynthesis, a breakthrough that could lead to more environmentally friendly ways to produce a variety of materials, chemicals, and transportation fuels. The scientists introduced a gene into a cyanobacterium and demonstrated that the organism remains stable through at least four generations, producing ethylene gas that can be easily captured. In the laboratory, the organism, Synechocystis sp. PCC 6803, produced 720 milligrams of ethylene per liter each day.

  20. Regulating the ethylene response of a plant by modulation of F-box proteins

    DOE Patents [OSTI]

    Guo, Hongwei; Ecker, Joseph R.

    2011-03-08

    The invention relates to transgenic plants having reduced sensitivity to ethylene as a result of having a recombinant nucleic acid encoding an F-box protein that interacts with a EIN3 involved in an ethylene response of plants, and a method of producing a transgenic plant with reduced ethylene sensitivity by transforming the plant with a nucleic acid sequence encoding an F-box protein. The inventions also relates to methods of altering the ethylene response in a plant by modulating the activity or expression of an F-box protein.

  1. Structure of poly(styrene-b-ethylene-alt-propylene) diblock copolymer...

    Office of Scientific and Technical Information (OSTI)

    Structure of poly(styrene-b-ethylene-alt-propylene) diblock copolymer micelles in binary solvent mixtures Citation Details In-Document Search Title: Structure of...

  2. Cuprous-chloride-modified nanoporous alumina membranes for ethylene-ethane separation

    SciTech Connect (OSTI)

    Lin, Y.S.; Wang, Y.; Ji, W.; Higgins, R.J.

    1999-06-01

    This paper reports an attempt to synthesize a CuCl-modified {gamma}-alumina membrane for separation of ethylene from ethane. CuCl was effectively coated in the 4 nm pore {gamma}-alumina top layers of disk-shaped and tubular alumina membranes by the reservoir method. Permeation of a single gas and binary mixture of ethylene and ethane was measured to characterize separation properties of the modified membranes. Pure ethylene permeance of the CuCl-modified membrane is 10--40% lower than that predicted from the pure ethane permeance by the Knudsen theory. This result is explained by a model based on the adsorbed layer of ethylene via {pi}-complexation. Such an adsorbed layer hinders the diffusion of ethylene in the nanopores of CuCl-modified {gamma}-alumina. Multiple gas permeation measurements on the CuCl-modified membranes show a separation factor for ethylene over ethane larger than the Knudsen value. This confirms a positive contribution of the surface flow of ethylene to the permeance of ethylene in the multiple gas permeation system. A maximum separation factor for ethylene over ethane of 1.4 is obtained for the CuCl-modified membrane at 60 C.

  3. Geranyl diphosphate synthase molecules, and nucleic acid molecules encoding same

    DOE Patents [OSTI]

    Croteau, Rodney Bruce; Burke, Charles Cullen

    2008-06-24

    In one aspect, the present invention provides isolated nucleic acid molecules that each encode a geranyl diphosphate synthase protein, wherein each isolated nucleic acid molecule hybridizes to a nucleic acid molecule consisting of the sequence set forth in SEQ ID NO:1 under conditions of 5.times.SSC at 45.degree. C. for one hour. The present invention also provides isolated geranyl diphosphate synthase proteins, and methods for altering the level of expression of geranyl diphosphate synthase protein in a host cell.

  4. Molecular jet growth of carbon nanotubes and dense vertically aligned nanotube arrays

    DOE Patents [OSTI]

    Eres, Gyula (Knoxville, TN) [Knoxville, TN

    2010-10-12

    A method of growing a carbon nanotube includes the step of impinging a beam of carbon-containing molecules onto a substrate to grow at least one carbon nanotube on the catalyst surface.

  5. Single molecule tracking

    DOE Patents [OSTI]

    Shera, E. Brooks

    1988-01-01

    A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photones are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions.

  6. Single molecule tracking

    DOE Patents [OSTI]

    Shera, E.B.

    1987-10-07

    A detection system is provided for identifying individual particles or molecules having characteristic emission in a flow train of the particles in a flow cell. A position sensitive sensor is located adjacent the flow cell in a position effective to detect the emissions from the particles within the flow cell and to assign spatial and temporal coordinates for the detected emissions. A computer is then enabled to predict spatial and temporal coordinates for the particle in the flow train as a function of a first detected emission. Comparison hardware or software then compares subsequent detected spatial and temporal coordinates with the predicted spatial and temporal coordinates to determine whether subsequently detected emissions originate from a particle in the train of particles. In one embodiment, the particles include fluorescent dyes which are excited to fluoresce a spectrum characteristic of the particular particle. Photons are emitted adjacent at least one microchannel plate sensor to enable spatial and temporal coordinates to be assigned. The effect of comparing detected coordinates with predicted coordinates is to define a moving sample volume which effectively precludes the effects of background emissions. 3 figs.

  7. Electrochromic Graphene Molecules

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ji, Zhiqiang; Doorn, Stephen K.; Sykora, Milan

    2015-03-13

    Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were foundmore » to be E1,ox 0 = 0.77± 0.01 V and E2,ox 0 = 1.24 ± 0.02 V vs. NHE for the first and second oxidation and E1,red 0 = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.« less

  8. Electrochromic Graphene Molecules

    SciTech Connect (OSTI)

    Ji, Zhiqiang; Doorn, Stephen K.; Sykora, Milan

    2015-03-13

    Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were found to be E1,ox 0 = 0.77 0.01 V and E2,ox 0 = 1.24 0.02 V vs. NHE for the first and second oxidation and E1,red 0 = -1.50 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.

  9. Characterization of electrospun lignin based carbon fibers

    SciTech Connect (OSTI)

    Poursorkhabi, Vida; Mohanty, Amar; Misra, Manjusri

    2015-05-22

    The production of lignin fibers has been studied in order to replace the need for petroleum based precursors for carbon fiber production. In addition to its positive environmental effects, it also benefits the economics of the industries which cannot take advantage of carbon fiber properties because of their high price. A large amount of lignin is annually produced as the byproduct of paper and growing cellulosic ethanol industry. Therefore, finding high value applications for this low cost, highly available material is getting more attention. Lignin is a biopolymer making about 15 30 % of the plant cell walls and has a high carbon yield upon carbonization. However, its processing is challenging due to its low molecular weight and also variations based on its origin and the method of separation from cellulose. In this study, alkali solutions of organosolv lignin with less than 1 wt/v% of poly (ethylene oxide) and two types of lignin (hardwood and softwood) were electrospun followed by carbonization. Different heating programs for carbonization were tested. The carbonized fibers had a smooth surface with an average diameter of less than 5?m and the diameter could be controlled by the carbonization process and lignin type. Scanning electron microscopy (SEM) was used to study morphology of the fibers before and after carbonization. Thermal conductivity of a sample with amorphous carbon was 2.31?W/m.K. The electrospun lignin carbon fibers potentially have a large range of application such as in energy storage devices and water or gas purification systems.

  10. Aromatic molecules as spintronic devices

    SciTech Connect (OSTI)

    Ojeda, J. H.; Orellana, P. A.; Laroze, D.

    2014-03-14

    In this paper, we study the spin-dependent electron transport through aromatic molecular chains attached to two semi-infinite leads. We model this system taking into account different geometrical configurations which are all characterized by a tight binding Hamiltonian. Based on the Green's function approach with a Landauer formalism, we find spin-dependent transport in short aromatic molecules by applying external magnetic fields. Additionally, we find that the magnetoresistance of aromatic molecules can reach different values, which are dependent on the variations in the applied magnetic field, length of the molecules, and the interactions between the contacts and the aromatic molecule.

  11. Thermal stability of poly(ethylene-co-vinyl acetate) based materials

    SciTech Connect (OSTI)

    Patel, Mogon; Pitts, Simon; Beavis, Peter; Robinson, Mathew; Morrell, Paul; Khan, Niaz; Khan, Imran; Pockett, Nicola; Letant, Sonia; Von White, Gregory; Labouriau, Andrea

    2013-03-26

    The thermal stability properties of poly (ethylene-co-vinyl acetate) composites have been studied in support of our core programmes in materials qualification and life assessment. The material is used as a binder phase for boron particles in highly filled (70 wt %) composites. Our studies show that the uncured resin readily accumulates acetic acid through hydrolysis of the pendent acetate groups which alters the acidity (pH) of the material. Thermal desorption studies in combination with gas-chromatography-mass spectrometry show that the resin readily evolves acetic acid when thermally aged to temperatures up to 75°C. Gel Permeation Chromatography (GPC) suggests that thermal ageing induces a gradual reduction in resin molecular weight and confirms the susceptibility of the material to chain scission. Heating at elevated temperatures in excess of 300oC is required to induce significant changes in the carbon skeleton through deacetylation and dehydration processes and the production of unsaturated main chain double bonds. Overall, the mechanical response of these filled composites are found to be relatively complex with the extent of polymer-filler interactions possibly playing an important role in determining key engineering properties. Mechanical property studies confirm a small but significant decrease in modulus presumably linked to thermally induced chain scission of the EVA binder.

  12. Thermal stability of poly(ethylene-co-vinyl acetate) based materials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Patel, Mogon; Pitts, Simon; Beavis, Peter; Robinson, Mathew; Morrell, Paul; Khan, Niaz; Khan, Imran; Pockett, Nicola; Letant, Sonia; Von White, Gregory; et al

    2013-03-26

    The thermal stability properties of poly (ethylene-co-vinyl acetate) composites have been studied in support of our core programmes in materials qualification and life assessment. The material is used as a binder phase for boron particles in highly filled (70 wt %) composites. Our studies show that the uncured resin readily accumulates acetic acid through hydrolysis of the pendent acetate groups which alters the acidity (pH) of the material. Thermal desorption studies in combination with gas-chromatography-mass spectrometry show that the resin readily evolves acetic acid when thermally aged to temperatures up to 75°C. Gel Permeation Chromatography (GPC) suggests that thermal ageingmore » induces a gradual reduction in resin molecular weight and confirms the susceptibility of the material to chain scission. Heating at elevated temperatures in excess of 300oC is required to induce significant changes in the carbon skeleton through deacetylation and dehydration processes and the production of unsaturated main chain double bonds. Overall, the mechanical response of these filled composites are found to be relatively complex with the extent of polymer-filler interactions possibly playing an important role in determining key engineering properties. Mechanical property studies confirm a small but significant decrease in modulus presumably linked to thermally induced chain scission of the EVA binder.« less

  13. Regulating the ethylene response of a plant by modulation of F-box proteins

    DOE Patents [OSTI]

    Guo, Hongwei [Beijing, CN; Ecker, Joseph R [Carlsbad, CA

    2014-01-07

    The relationship between F-box proteins and proteins invovled in the ethylene response in plants is described. In particular, F-box proteins may bind to proteins involved in the ethylene response and target them for degradation by the ubiquitin/proteasome pathway. The transcription factor EIN3 is a key transcription factor mediating ethylne-regulated gene expression and morphological responses. EIN3 is degraded through a ubiquitin/proteasome pathway mediated by F-box proteins EBF1 and EBF2. The link between F-box proteins and the ethylene response is a key step in modulating or regulating the response of a plant to ethylene. Described herein are transgenic plants having an altered sensitivity to ethylene, and methods for making transgenic plant haing an althered sensitivity to ethylene by modulating the level of activity of F-box proteins. Methods of altering the ethylene response in a plant by modulating the activity or expression of an F-box protein are described. Also described are methods of identifying compounds that modulate the ethylene response in plants by modulating the level of F-box protein expression or activity.

  14. Regulating the ethylene response of a plant by modulation of F-box proteins

    DOE Patents [OSTI]

    Guo, Hongwei; Ecker, Joseph R.

    2010-02-02

    The invention relates to transgenic plants having reduced sensitivity to ethylene as a result of having a recombinant nucleic acid encoding a F-box protein, and a method of producing a transgenic plant with reduced ethylene sensitivity by transforming the plant with a nucleic acid sequence encoding a F-box protein.

  15. Volatile out gassing characteristics of highly filled ethylene vinyl acetate binder materials: Gas phase infra-red spectroscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Patel, Mogon; Bowditch, Martin; Jones, Ben; Netherton, David; Khan, Niaz; Letant, Sonia; Maxwell, Robert S.; Birdsell, Stephen A.

    2012-12-08

    Gas phase Infra-red (IR) spectroscopy has been used to investigate volatile out gassing properties of highly filled poly (ethylene-co-vinyl acetate) materials. In these studies, a Scout-ENTM heated gas cell was interfaced to a vacuum FTIR spectrometer, and the quantification of evolved species was achieved through calibration of the gas cell with certified gas standards. The volatile out gassing properties were monitored as a function of time during storage at 75°C under vacuum conditions (< 1mbar). Acetic acid, carbon dioxide and water were identified as the major out gassing products through IR absorption peaks at 1797, 2354 and 3853 cm-1, respectively.more » We present a comparison of three highly filled poly (ethyleneco- vinyl acetate) resins.« less

  16. Ethylene glycol assisted spray pyrolysis for the synthesis of hollow BaFe12O19 spheres

    SciTech Connect (OSTI)

    Xu, X; Park, J; Hong, YK; Lane, AM

    2015-04-01

    Hollow spherical BaFe12O19 particles were synthesized by spray pyrolysis from a solution containing ethylene glycol (EG) and precursors at 1000 degrees C. The effects of EG concentration on particle morphology, crystallinity and magnetic properties were investigated. The hollow spherical particles were found to consist of primary particles, and higher EG concentration led to a bigger primary particle size. EG concentration did not show much effect on the hollow particle size. Better crystallinity and higher magnetic coercivity were obtained with higher EG concentration, which is attributed to further crystallization with the heat produced from EG combustion. Saturation magnetization (emu/g) decreased with increasing EG concentration due to residual carbon from EG incomplete combustion, contributing as a non-magnetic phase to the particles. Published by Elsevier B.V.

  17. Volatile out gassing characteristics of highly filled ethylene vinyl acetate binder materials: Gas phase infra-red spectroscopy

    SciTech Connect (OSTI)

    Patel, Mogon; Bowditch, Martin; Jones, Ben; Netherton, David; Khan, Niaz; Letant, Sonia; Maxwell, Robert S.; Birdsell, Stephen A.

    2012-12-08

    Gas phase Infra-red (IR) spectroscopy has been used to investigate volatile out gassing properties of highly filled poly (ethylene-co-vinyl acetate) materials. In these studies, a Scout-ENTM heated gas cell was interfaced to a vacuum FTIR spectrometer, and the quantification of evolved species was achieved through calibration of the gas cell with certified gas standards. The volatile out gassing properties were monitored as a function of time during storage at 75°C under vacuum conditions (< 1mbar). Acetic acid, carbon dioxide and water were identified as the major out gassing products through IR absorption peaks at 1797, 2354 and 3853 cm-1, respectively. We present a comparison of three highly filled poly (ethyleneco- vinyl acetate) resins.

  18. Quantum transport through aromatic molecules

    SciTech Connect (OSTI)

    Ojeda, J. H.; Rey-Gonzlez, R. R.; Laroze, D.

    2013-12-07

    In this paper, we study the electronic transport properties through aromatic molecules connected to two semi-infinite leads. The molecules are in different geometrical configurations including arrays. Using a nearest neighbor tight-binding approach, the transport properties are analyzed into a Green's function technique within a real-space renormalization scheme. We calculate the transmission probability and the Current-Voltage characteristics as a function of a molecule-leads coupling parameter. Our results show different transport regimes for these systems, exhibiting metal-semiconductor-insulator transitions and the possibility to employ them in molecular devices.

  19. Introduction of ?-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane

    SciTech Connect (OSTI)

    Li, Baiyan; Zhang, Yiming; Krishna, Rajamani; Yao, Kexin; Han, Yu; Wu, Zili; Ma, Dingxuan; Shi, Zhan; Pham, Tony; Space, Brian; Liu, Jian; Thallapally, Praveen K.; Liu, Jun; Matthew, Chrzanowski; Ma, Shengqian

    2014-06-05

    We report herein a strategy of incorporating air stable Ag(I) ions into water stable, high surface area porous organic polymer (POP) affording significant increase in ethylene uptake capacity and extremely high Qst for ethylene (over 100 kJ/mol at low ethylene load-ing) as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and equimolar ethylene/ethane ratio at 296 K reveal PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivi-ty (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. This alongside excellent water/air stability, high ethylene uptake capacity, and mild regeneration requirements make PAF-1-SO3Ag hold promise for adsorption-based eth-ylene/ethane separations, paving a way to develop Ag(I) ion function-alized POPs as a new platform for highly selective adsorption of eth-ylene over ethane.

  20. Preface for small-molecule activation: Carbon-containing fuels

    SciTech Connect (OSTI)

    Fujita, Etsuko; Goldman, Alan S.

    2015-06-01

    For millennia, human transportation was fueled largely through the consumption of biomass (by humans or domestic animals) and to a lesser extent by wind. The 19th century saw a major shift to coal-fueled transportation, with trains and ships powered by steam engines. A second major shift in the fueling of transportation occurred in the 20th century, this time to petroleum. Thus, this transition was not driven by the cost or ease of obtaining energy from oil wells vs. coal mines – indeed, the cost of petroleum has always been higher than coal on a per-unit-energy basis – but rather by the tremendous technical advantages of powering engines with liquids, specifically liquid hydrocarbons.

  1. Preface for small-molecule activation: Carbon-containing fuels

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Fujita, Etsuko; Goldman, Alan S.

    2015-06-01

    For millennia, human transportation was fueled largely through the consumption of biomass (by humans or domestic animals) and to a lesser extent by wind. The 19th century saw a major shift to coal-fueled transportation, with trains and ships powered by steam engines. A second major shift in the fueling of transportation occurred in the 20th century, this time to petroleum. Thus, this transition was not driven by the cost or ease of obtaining energy from oil wells vs. coal mines – indeed, the cost of petroleum has always been higher than coal on a per-unit-energy basis – but rather bymore » the tremendous technical advantages of powering engines with liquids, specifically liquid hydrocarbons.« less

  2. Anodic polymerization of vinyl ethylene carbonate in Li-Ion battery...

    Office of Scientific and Technical Information (OSTI)

    The half-wave potential (E12) for oxidation of VEC is ca. 3.6 V producing a resistive film on the electrode surface. GPC analysis of the film on a gold electrode produced by ...

  3. Anodic polymerization of vinyl ethylene carbonate in Li-Ion battery...

    Office of Scientific and Technical Information (OSTI)

    Authors: Chen, Guoying ; Zhuang, Guorong V. ; Richardson, Thomas J. ; Gao, Liu ; Ross Jr., Philip N. Publication Date: 2005-02-28 OSTI Identifier: 861305 Report Number(s): ...

  4. [Transition metal mediated transformations of small molecules]. Progress report

    SciTech Connect (OSTI)

    Sen, A.

    1992-10-01

    Work on organotransition metal chemistry, homogeneous and heterogeneous catalysis is summarized. Several cationic palladium(II) complexes with bulky phosphine or pyridine ligands were discovered that are highly selective catalysts for linear dimerization of vinyl monomers and linear polymerization of p-divinylbenzene, the reactions proceeding through a carbocationic mechanism. Our studies were continued on alternating olefin-carbon monoxide copolymers. The copolymerization reaction and reactivity of copolymers were examined. New catalytic systems for alternating copolymerization of {alpha}-olefins with CO were discovered. In the case of styrene derivatives, tactic copolymers were obtained. Poly(ethylenepyrrolediyl) derivatives were synthesized from alternating ethylene-carbon monoxide copolymer and become electronic conductors when doped with iodine. A catalytic system for direct synthesis of polyureas and polyoxamides from and diamines was also discovered. Pt metal catalyzed the oxidation of ethers, esters, and amines to carboxylic acids and the oxidation of olefins to 1,2-diols. Anaerobic and aerobic decomposition of molybdenum(VI)-oxoalkyl compounds were studied for heterogeneous oxidation of alkanes and olefins on Mo(VI)-oxide surfaces. Synthesis of polymer-trapped metal, metal oxide, and metal sulfide nanoclusters (size <1--10 nm) was studied.

  5. Synthesis of silica coated zinc oxide-poly(ethylene-co-acrylic acid)

    Office of Scientific and Technical Information (OSTI)

    matrix and its UV shielding evaluation (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Synthesis of silica coated zinc oxide-poly(ethylene-co-acrylic acid) matrix and its UV shielding evaluation Citation Details In-Document Search Title: Synthesis of silica coated zinc oxide-poly(ethylene-co-acrylic acid) matrix and its UV shielding evaluation Graphical abstract: - Highlights: * Well layer thickness controlled silica shell was made on ZnO nanoparticles. *

  6. Bio-based ethylene able to replace petroleum as a feedstock - Energy

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

    Innovation Portal Early Stage R&D Early Stage R&D Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Bio-based ethylene able to replace petroleum as a feedstock National Renewable Energy Laboratory Contact NREL About This Technology Publications: PDF Document Publication Photosynthetic Conversion of CO2 to Fuels and Chemicals using Cyanobacteria - Accelerating Innovation Webinar Presentation (989 KB) Technology Marketing Summary Ethylene is the most

  7. Carbon Smackdown: Carbon Capture

    ScienceCinema (OSTI)

    Jeffrey Long

    2010-09-01

    In this July 9, 2010 Berkeley Lab summer lecture, Lab scientists Jeff Long of the Materials Sciences and Nancy Brown of the Environmental Energy Technologies Division discuss their efforts to fight climate change by capturing carbon from the flue gas of power plants, as well as directly from the air

  8. Carbon Smackdown: Carbon Capture

    SciTech Connect (OSTI)

    Jeffrey Long

    2010-07-12

    In this July 9, 2010 Berkeley Lab summer lecture, Lab scientists Jeff Long of the Materials Sciences and Nancy Brown of the Environmental Energy Technologies Division discuss their efforts to fight climate change by capturing carbon from the flue gas of power plants, as well as directly from the air

  9. Carbon nanostructures-elixir or poison?

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

    Carbon nanostructures-elixir or poison? Carbon nanostructures-elixir or poison? A LANL toxicologist and a team of researchers have documented potential cellular damage from "fullerenes"-soccer-ball-shaped, cage-like molecules composed of 60 carbon atoms. March 31, 2010 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy

  10. Natural materials for carbon capture.

    SciTech Connect (OSTI)

    Myshakin, Evgeniy M.; Romanov, Vyacheslav N.; Cygan, Randall Timothy

    2010-11-01

    Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, carbon dioxide. Recent experimental studies have demonstrated the efficacy of intercalating carbon dioxide in the interlayer of layered clays but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 in the interlayer of montmorillonite clay and to help validate the models with experimental observation.

  11. Highly Selective Adsorption of Ethylene over Ethane in a MOF Featuring the Combination of Open Metal Site and -Complexation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Yiming; Li, Baiyan; Wu, Zili; Ma, Shengqian

    2015-01-09

    The introduction of the combination of open metal site (OMS) and -complexation into MOF has led to very high ethylene/ethane adsorption selectivity at 318K, as illustrated in the context of MIL-101-Cr-SO3Ag. The interactions with ethylene from both OMS and -complexation in MIL-101-Cr-SO3Ag have been investigated by in situ IR spectroscopic studies and computational calculations, which suggest -complexation contributes dominantly to the high ethylene/ethane adsorption selectivity.

  12. Highly Selective Adsorption of Ethylene over Ethane in a MOF Featuring the Combination of Open Metal Site and -Complexation

    SciTech Connect (OSTI)

    Zhang, Yiming; LI, Baiyan; Wu, Zili; Ma, Shengqian

    2015-01-01

    The introduction of the combination of open metal site (OMS) and -complexation into MOF has led to very high ethylene/ethane adsorption selectivity at 318K, as illustrated in the context of MIL-101-Cr-SO3Ag. The interactions with ethylene from both OMS and -complexation in MIL-101-Cr-SO3Ag have been investigated by in situ IR spectroscopic studies and computational calculations, which suggest -complexation contributes dominantly to the high ethylene/ethane adsorption selectivity.

  13. Carbon Storage

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

    Storage Fact Sheet Research Team Members Key Contacts Carbon Storage Carbon capture and storage (CCS) is a key component of the U.S. carbon management portfolio. Numerous studies have shown that CCS can account for up to 55 percent of the emissions reductions needed to stabilize and ultimately reduce atmospheric concentrations of CO2. NETL's Carbon Storage Program is readying CCS technologies for widespread commercial deployment by 2020. The program's goals are: By 2015, develop technologies

  14. Asia/Pacific ethylene capacity to more than double by 2000

    SciTech Connect (OSTI)

    1995-05-08

    The tremendous growth of Asia`s petrochemical industry is expected to continue into the next century. This rapid expansion has redirected many Asian nations` energy resources to the petrochemical industry, according to an advisory report by Ronald E. Hagen of the East-West Center, Honolulu. Petrochemical producers throughout the region are planning to build a number of new, world-scale ethylene plants, and expand and upgrade existing facilities. Feedstocks used to produce ethylene include: ethane, LPG, naphtha, kerosene, gas oil, and ethanol. Traditionally, usage of ethanol and kerosene in the region has been small, and gas oil usage is centered mainly in China. Information is listed and discussed for ethylene capacity through 2000 on a country-by-country basis, along with the feedstocks used by each plant.

  15. Process for the production of ethylene and other hydrocarbons from coal

    SciTech Connect (OSTI)

    Steinberg, M.; Fallon, P.

    1982-02-16

    A process is claimed for the production of substantial amounts of ethylene and other hydrocarbon compounds, such as benzene from coal. Coal is reacted with methane at a temperature in the approximate range of 500/sup 0/C to 1100/sup 0/C at a partial pressure less than about 200 psig for a period of less than 10 seconds, and preferably at a temperature of approximately 850/sup 0/C, and a partial pressure of 50 psig for a period of approximately 2 seconds. Ethylene and other hydrocarbon compounds may be separated from the product stream so produced, and the methane recycled for further production of ethylene. In another embodiment, other compounds produced, such as by-product tars, may be burned to heat the recycled methane.

  16. Low-Temperature Fluorination of Soft-Templated Mesoporous Carbons for a High-Power Lithium/Carbon Fluoride Battery

    SciTech Connect (OSTI)

    Fulvio, Pasquale F.; Brown, Suree S.; Adcock, Jamie; Mayes, Richard T.; Guo, Bingkun; Sun, Xiao-Guang; Mahurin, Shannon M.; Veith, Gabriel M.; Dai, Sheng

    2011-09-29

    Soft-templated mesoporous carbons and activated mesoporous carbons were fluorinated using elemental fluorine between room temperature and 235 °C. The mesoporous carbons were prepared via self-assembly synthesis of phloroglucinol–formaldehyde as a carbon precursor in the presence of triblock ethylene oxide–propylene oxide–ethylene oxide copolymer BASF Pluronic F127 as the template. The F/C ratios ranged from ~0.15 to 0.75 according to gravimetric, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy analysis. Materials have mesopore diameters up to 11 nm and specific surface areas as high as 850 m² g⁻¹ after fluorination as calculated from nitrogen adsorption isotherms at -196 °C. Furthermore, the materials exhibit higher discharge potentials and energy and power densities as well as faster reaction kinetics under high current densities than commercial carbon fluorides with similar fluorine contents when tested as cathodes for Li/CFx batteries.

  17. Biomimetic Dye Molecules for Solar Cells

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

    cell. The class of dye molecules used in this research is related to the dye that gives blue jeans their color. By choosing organic molecules, an enormous repertoire of possible...

  18. Process for the production of ethylene and other hydrocarbons from coal

    DOE Patents [OSTI]

    Steinberg, Meyer; Fallon, Peter

    1986-01-01

    A process for the production of economically significant amounts of ethyl and other hydrocarbon compounds, such as benzene, from coal is disclosed wherein coal is reacted with methane at a temperature in the approximate range of 500.degree. C. to 1100.degree. C. at a partial pressure less than about 200 psig for a period of less than 10 seconds. Ethylene and other hydrocarbon compounds may be separated from the product stream so produced, and the methane recycled for further production of ethylene. In another embodiment, other compounds produced, such as by-product tars, may be burned to heat the recycled methane.

  19. Carbon-Fuelled Future

    SciTech Connect (OSTI)

    Appel, Aaron M.

    2014-09-12

    Whether due to changes in policy or consumption of available fossil fuels, alternative sources of energy will be required, especially given the rising global energy demand. However, one of the main factors limiting the widespread utilization of renewable energy, such as wind, solar, wave or geothermal, is our ability to store energy. Storage of energy from carbon-neutral sources, such as electricity from solar or wind, can be accomplished through many routes. One approach is to store energy in the form of chemical bonds, as fuels. The conversion of low-energy compounds, such as water and carbon dioxide, to higher energy molecules, such as hydrogen or carbon-based fuels, enables the storage of carbon-neutral energy on a very large scale. The author¹s work in this area is supported by the US Department of Energy Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  20. Ultrafast electron diffraction from aligned molecules

    SciTech Connect (OSTI)

    Centurion, Martin

    2015-08-17

    The aim of this project was to record time-resolved electron diffraction patterns of aligned molecules and to reconstruct the 3D molecular structure. The molecules are aligned non-adiabatically using a femtosecond laser pulse. A femtosecond electron pulse then records a diffraction pattern while the molecules are aligned. The diffraction patterns are then be processed to obtain the molecular structure.

  1. Multifunctional hyper-structured molecules

    SciTech Connect (OSTI)

    Wada, T.; Zhang, Y.; Aoyama, T.; Kubo, Y.; Sasabe, H.

    1998-07-01

    To fill the gap between molecular design and the architecture of three-dimensional functional structures, the authors propose novel hyper-structured molecules (HSMs) based on well-defined and topologically controlled molecular systems. To this end they have developed carbazole dendrimers, trimers, cyclic oligomers and chromogenic calix[4]arenes as HSMs. Photorefractivity was selected as the primary target function of these HSMs. Oligomers developed in their laboratory exhibit intrinsic photocarrier generation, transport, electro-optic, film-forming and poling properties. These multifunctional properties allow us to demonstrate optical image processing using optical phase conjugation. The topological shapes of indoaniline-derived calix[4]arenes were studied by hyper-Rayleigh scattering. The two indoaniline moieties in calix[4]arene derivatives were pre-aligned so as to enhance the net molecular hyperpolarizability. Besides dendric oligomers, cyclic oligomers can be used as a molecular platform which allows molecular level tuning of shape, size and topology for superior opto-electronic functions.

  2. Electrokinetic concentration of charged molecules

    DOE Patents [OSTI]

    Singh, Anup K.; Neyer, David W.; Schoeniger, Joseph S.; Garguilo, Michael G.

    2002-01-01

    A method for separating and concentrating charged species from uncharged or neutral species regardless of size differential. The method uses reversible electric field induced retention of charged species, that can include molecules and molecular aggregates such as dimers, polymers, multimers, colloids, micelles, and liposomes, in volumes and on surfaces of porous materials. The retained charged species are subsequently quantitatively removed from the porous material by a pressure driven flow that passes through the retention volume and is independent of direction thus, a multi-directional flow field is not required. Uncharged species pass through the system unimpeded thus effecting a complete separation of charged and uncharged species and making possible concentration factors greater than 1000-fold.

  3. Electrorheological crystallization of proteins and other molecules

    DOE Patents [OSTI]

    Craig, G.D.; Rupp, B.

    1996-06-11

    An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an X-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the X-ray diffraction pattern. 4 figs.

  4. Electrorheological crystallization of proteins and other molecules

    DOE Patents [OSTI]

    Craig, George D.; Rupp, Bernhard

    1996-01-01

    An electrorheological crystalline mass of a molecule is formed by dispersing the molecule in a dispersion fluid and subjecting the molecule dispersion to a uniform electrical field for a period of time during which time an electrorheological crystalline mass is formed. Molecules that may be used to form an electrorheological crystalline mass include any organic or inorganic molecule which has a permanent dipole and/or which is capable of becoming an induced dipole in the presence of an electric field. The molecules used to form the electrorheological crystalline mass are preferably macromolecules, such as biomolecules, such as proteins, nucleic acids, carbohydrates, lipoproteins and viruses. Molecules are crystallized by a method in which an electric field is maintained for a period of time after the electrorheological crystalline mass has formed during which time at least some of the molecules making up the electrorheological crystalline mass form a crystal lattice. The three dimensional structure of a molecule is determined by a method in which an electrorheological crystalline mass of the molecule is formed, an x-ray diffraction pattern of the electrorheological crystalline mass is obtained and the three dimensional structure of the molecule is calculated from the x-ray diffraction pattern.

  5. Microwave Enhanced Direct Cracking of Hydrocarbon Feedstock for Energy Efficient Production of Ethylene and Propylene.

    SciTech Connect (OSTI)

    Shulman, Holly; Fall, Morgana; Wagner, Eric; Bowlin, Ricardo

    2012-02-13

    This project demonstrated microwave cracking of ethane with good product conversion and ethylene selectivity, with a short residence time ({approx}0.001 sec). The laboratory scale equipment was designed and built, along with concept designs for larger scale implementation. The system was operated below atmospheric pressures, in the range of 15-55 torr, with argon as a carrier gas. The measured products included hydrogen, methane, acetylene, and ethylene. The results followed similar trends to those predicted by the modeling software SPYRO{reg_sign}, with the exception that the microwave appeared to produce slightly lower amounts of ethylene and methane, although enhanced analytical analysis should reduce the difference. Continued testing will be required to verify these results and quantify the energy consumption of microwave vs. conventional. The microwave cracking process is an attractive option due to the possibility of selectively heating the reaction volume rather than the reactor walls, which may allow novel reactor designs that result in more efficient production of ethylene. Supplemental studies are needed to continue the laboratory testing and refine processing parameters.

  6. Fluoro-Carbonate Solvents for Li-Ion Cells

    SciTech Connect (OSTI)

    NAGASUBRAMANIAN,GANESAN

    1999-09-17

    A number of fluoro-carbonate solvents were evaluated as electrolytes for Li-ion cells. These solvents are fluorine analogs of the conventional electrolyte solvents such as dimethyl carbonate, ethylene carbonate, diethyl carbonate in Li-ion cells. Conductivity of single and mixed fluoro carbonate electrolytes containing 1 M LiPF{sub 6} was measured at different temperatures. These electrolytes did not freeze at -40 C. We are evaluating currently, the irreversible 1st cycle capacity loss in carbon anode in these electrolytes and the capacity loss will be compared to that in the conventional electrolytes. Voltage stability windows of the electrolytes were measured at room temperature and compared with that of the conventional electrolytes. The fluoro-carbon electrolytes appear to be more stable than the conventional electrolytes near Li voltage. Few preliminary electrochemical data of the fluoro-carbonate solvents in full cells are reported in the literature. For example, some of the fluorocarbonate solvents appear to have a wider voltage window than the conventional electrolyte solvents. For example, methyl 2,2,2 trifluoro ethyl carbonate containing 1 M LiPF{sub 6} electrolyte has a decomposition voltage exceeding 6 V vs. Li compared to <5 V for conventional electrolytes. The solvent also appears to be stable in contact with lithium at room temperature.

  7. Water-soluble carbon nanotube compositions for drug delivery and medicinal applications

    DOE Patents [OSTI]

    Tour, James M.; Lucente-Schultz, Rebecca; Leonard, Ashley; Kosynkin, Dmitry V.; Price, Brandi Katherine; Hudson, Jared L.; Conyers, Jr., Jodie L.; Moore, Valerie C.; Casscells, S. Ward; Myers, Jeffrey N.; Milas, Zvonimir L.; Mason, Kathy A.; Milas, Luka

    2014-07-22

    Compositions comprising a plurality of functionalized carbon nanotubes and at least one type of payload molecule are provided herein. The compositions are soluble in water and PBS in some embodiments. In certain embodiments, the payload molecules are insoluble in water. Methods are described for making the compositions and administering the compositions. An extended release formulation for paclitaxel utilizing functionalized carbon nanotubes is also described.

  8. Ag(I) Ion Functionalized Porous Organic Polymers As a New Platform for Highly Selective Adsorption of Ethylene over Ethane

    SciTech Connect (OSTI)

    LI, Baiyan; Zhang, Yiming; Ma, Dingxuan; Wu, Zili; Ma, Shengqian

    2014-01-01

    We report herein a strategy of incorporating air stable Ag(I) ions into water stable, high surface area porous organic polymer (POP) affording significant increase in ethylene uptake capacity and extremely high Qst for ethylene (over 100 kJ/mol at low ethylene load-ing) as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and equimolar ethylene/ethane ratio at 296 K reveal PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivi-ty (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. This alongside excellent water/air stability, high ethylene uptake capacity, and mild regeneration requirements make PAF-1-SO3Ag hold promise for adsorption-based eth-ylene/ethane separations, paving a way to develop Ag(I) ion function-alized POPs as a new platform for highly selective adsorption of eth-ylene over ethane.

  9. In situ Formation of Highly Conducting Covalent Au-C Contacts for Single-Molecule Junctions

    SciTech Connect (OSTI)

    Cheng, Z.L.; Hybertsen, M.; Skouta, R.; Vazquez, H.; Widawsky, J.R.; Schneebeli, S.; Chen, W.; Breslow, R.; Venkataraman, L.

    2011-06-01

    Charge transport across metal-molecule interfaces has an important role in organic electronics. Typically, chemical link groups such as thiols or amines are used to bind organic molecules to metal electrodes in single-molecule circuits, with these groups controlling both the physical structure and the electronic coupling at the interface. Direct metal-carbon coupling has been shown through C60, benzene and {pi}-stacked benzene but ideally the carbon backbone of the molecule should be covalently bonded to the electrode without intervening link groups. Here, we demonstrate a method to create junctions with such contacts. Trimethyl tin (SnMe{sub 3})-terminated polymethylene chains are used to form single-molecule junctions with a break-junction technique. Gold atoms at the electrode displace the SnMe{sub 3} linkers, leading to the formation of direct Au-C bonded single-molecule junctions with a conductance that is {approx}100 times larger than analogous alkanes with most other terminations. The conductance of these Au-C bonded alkanes decreases exponentially with molecular length, with a decay constant of 0.97 per methylene, consistent with a non-resonant transport mechanism. Control experiments and ab initio calculations show that high conductances are achieved because a covalent Au-C sigma ({sigma}) bond is formed. This offers a new method for making reproducible and highly conducting metal-organic contacts.

  10. Method of making carbon nanotubes on a substrate

    DOE Patents [OSTI]

    Gao, Yufei; Liu, Jun

    2006-03-14

    The present invention includes carbon nanotubes whose hollow cores are 100% filled with conductive filler. The carbon nanotubes are in uniform arrays on a conductive substrate and are well-aligned and can be densely packed. The uniformity of the carbon nanotube arrays is indicated by the uniform length and diameter of the carbon nanotubes, both which vary from nanotube to nanotube on a given array by no more than about 5%. The alignment of the carbon nanotubes is indicated by the perpendicular growth of the nanotubes from the substrates which is achieved in part by the simultaneous growth of the conductive filler within the hollow core of the nanotube and the densely packed growth of the nanotubes. The present invention provides a densely packed carbon nanotube growth where each nanotube is in contact with at least one nearest-neighbor nanotube. The substrate is a conductive substrate coated with a growth catalyst, and the conductive filler can be single crystals of carbide formed by a solid state reaction between the substrate material and the growth catalyst. The present invention further provides a method for making the filled carbon nanotubes on the conductive substrates. The method includes the steps of depositing a growth catalyst onto the conductive substrate as a prepared substrate, creating a vacuum within a vessel which contains the prepared substrate, flowing H2/inert (e.g. Ar) gas within the vessel to increase and maintain the pressure within the vessel, increasing the temperature of the prepared substrate, and changing the H2/Ar gas to ethylene gas such that the ethylene gas flows within the vessel. Additionally, varying the density and separation of the catalyst particles on the conductive substrate can be used to control the diameter of the nanotubes.

  11. Biomimetic Dye Molecules for Solar Cells

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

    Organic molecules in dye-sensitized solar cells exhibit great potential to increase the efficiency and reduce the cost of photovoltaic power generation by allowing a wide variety ...

  12. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell...

  13. Inverted, semitransparent small molecule photovoltaic cells ...

    Office of Scientific and Technical Information (OSTI)

    small molecule photovoltaic cells Authors: Xiao, Xin 1 ; Lee, Kyusang 1 ; Forrest, Stephen R. 2 + Show Author Affiliations Department of Electrical Engineering and Computer...

  14. Biomimetic Dye Molecules for Solar Cells

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

    Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption....

  15. Covalent Bonding in Actinide Sandwich Molecules

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

    improvements in organometallic catalysts that are employed across industry for the polymerization of organic molecules. In this study, Minasian et al. quantitatively probe...

  16. Does water dope carbon nanotubes?

    SciTech Connect (OSTI)

    Bell, Robert A.; Payne, Michael C.; Mostofi, Arash A.

    2014-10-28

    We calculate the long-range perturbation to the electronic charge density of carbon nanotubes (CNTs) as a result of the physisorption of a water molecule. We find that the dominant effect is a charge redistribution in the CNT due to polarisation caused by the dipole moment of the water molecule. The charge redistribution is found to occur over a length-scale greater than 30 , highlighting the need for large-scale simulations. By comparing our fully first-principles calculations to ones in which the perturbation due to a water molecule is treated using a classical electrostatic model, we estimate that the charge transfer between CNT and water is negligible (no more than 10{sup ?4}?e per water molecule). We therefore conclude that water does not significantly dope CNTs, a conclusion that is consistent with the poor alignment of the relevant energy levels of the water molecule and CNT. Previous calculations that suggest water n-dopes CNTs are likely due to the misinterpretation of Mulliken charge partitioning in small supercells.

  17. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.

    2013-01-01

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN)4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P21/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å3, Z = 4, Dc = 1.46 g cm-1. Ni(bpene)[Ni(CN)4] assumes a pillared layer structure with layers defined by Ni[Ni(CN)4]n nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution andmore » dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN)4](1/2)bpene∙DMSO2H2O, or Ni2N7C24H25SO3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO2 per unit cell was obtained.« less

  18. Carbon Sequestration

    SciTech Connect (OSTI)

    2013-05-06

    Carbon Sequestration- the process of capturing the CO2 released by the burning of fossil fuels and storing it deep withing the Earth, trapped by a non-porous layer of rock.

  19. Carbon Fiber

    ScienceCinema (OSTI)

    McGetrick, Lee

    2014-07-23

    Lee McGetrick leads ORNL's effort to produce light, durable carbon fiber at lower cost -- a key to improvements in manufacturing that will produce more fuel-efficient vehicles and other advances.

  20. Carbon Fiber

    SciTech Connect (OSTI)

    McGetrick, Lee

    2014-04-17

    Lee McGetrick leads ORNL's effort to produce light, durable carbon fiber at lower cost -- a key to improvements in manufacturing that will produce more fuel-efficient vehicles and other advances.

  1. Carbon Capture

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

    Capture Fact Sheet Research Team Members Key Contacts Carbon Capture Research & Development Carbon capture and storage from fossil-based power generation is a critical component of realistic strategies for arresting the rise in atmospheric CO2 concentrations, but capturing substantial amounts of CO2 using current technology would result in a prohibitive rise in the cost of producing energy. The National Energy Technology Laboratory, in collaboration with researchers from regional

  2. Carbon Capture

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

    Carbon Capture Carbon capture involves the separation of CO2 from coal-based power plant flue gas or syngas. Commercially available first-generation CO2 capture technologies are currently being used in various industrial applications. However, in their current state of development, these technologies are not ready for implementation on coal-based power plants because they have not been demonstrated at appropriate scale, require approximately one-third of the plant's steam and power to operate,

  3. Tumor suppressor molecules and methods of use

    DOE Patents [OSTI]

    Welch, Peter J.; Barber, Jack R.

    2004-09-07

    The invention provides substantially pure tumor suppressor nucleic acid molecules and tumor suppressor polypeptides. The invention also provides hairpin ribozymes and antibodies selective for these tumor suppressor molecules. Also provided are methods of detecting a neoplastic cell in a sample using detectable agents specific for the tumor suppressor nucleic acids and polypeptides.

  4. Effect of under-inhibition with methanol and ethylene glycol on the hydrate control process

    SciTech Connect (OSTI)

    Yousif, M.H.

    1996-12-31

    Hydrate control can be achieved by chemical injection. Currently, methanol and ethylene glycol are the most widely used inhibitors in offshore hydrate control operations. To achieve effective hydrate inhibition, a sufficient amount of inhibitor must be injected to shift the thermodynamic equilibrium condition for hydrate formation outside the pipeline operating pressure and temperature. Recently published field experiments showed that hydrate blockages form more readily in under-inhibited systems than in systems completely without inhibitor. A laboratory study is conducted to determine the effect of low concentration (1--5wt%) methanol and ethylene glycol on the hydrate formation process. The results show that, although these chemicals are effective hydrate inhibitors when added in sufficient quantities, they actually enhance the rate of hydrate formation when added at low concentrations to the water. Furthermore, the presence of these chemicals seems to affect the size of the forming hydrate particles.

  5. Attachment of second harmonic-active moiety to molecules for detection of molecules at interfaces

    DOE Patents [OSTI]

    Salafsky, Joshua S.; Eisenthal, Kenneth B.

    2005-10-11

    This invention provides methods of detecting molecules at an interface, which comprise labeling the molecules with a second harmonic-active moiety and detecting the labeled molecules at the interface using a surface selective technique. The invention also provides methods for detecting a molecule in a medium and for determining the orientation of a molecular species within a planar surface using a second harmonic-active moiety and a surface selective technique.

  6. Self-contained Kondo effect in single molecules (Journal Article) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Self-contained Kondo effect in single molecules Citation Details In-Document Search Title: Self-contained Kondo effect in single molecules Kondo coupling of f and conduction electrons is a common feature of f-electron intermetallics. Similar effects should occur in carbon ring systems (metallocenes). Evidence for Kondo coupling in Ce(C{sub 8}H{sub 8}){sub 2} (cerocene) and the ytterbocene Cp*{sub 2}Yb(bipy) is reported from magnetic susceptibility and L{sub III}-edge x-ray absorption

  7. Chiral Isotropic Liquids from Achiral Molecules

    SciTech Connect (OSTI)

    L Hough; M Spannuth; M Nakata; D Coleman; C Jones; G Dantlgraber; C Tschierske; J Watanabe; N Clark; et al.

    2011-12-31

    A variety of simple bent-core molecules exhibit smectic liquid crystal phases of planar fluid layers that are spontaneously both polar and chiral in the absence of crystalline order. We found that because of intralayer structural mismatch, such layers are also only marginally stable against spontaneous saddle splay deformation, which is incompatible with long-range order. This results in macroscopically isotropic fluids that possess only short-range orientational and positional order, in which the only macroscopically broken symmetry is chirality - even though the phases are formed from achiral molecules. Their conglomerate domains exhibit optical rotatory powers comparable to the highest ever found for isotropic fluids of chiral molecules.

  8. Carbon particles

    DOE Patents [OSTI]

    Hunt, Arlon J.

    1984-01-01

    A method and apparatus whereby small carbon particles are made by pyrolysis of a mixture of acetylene carried in argon. The mixture is injected through a nozzle into a heated tube. A small amount of air is added to the mixture. In order to prevent carbon build-up at the nozzle, the nozzle tip is externally cooled. The tube is also elongated sufficiently to assure efficient pyrolysis at the desired flow rates. A key feature of the method is that the acetylene and argon, for example, are premixed in a dilute ratio, and such mixture is injected while cool to minimize the agglomeration of the particles, which produces carbon particles with desired optical properties for use as a solar radiant heat absorber.

  9. Carbon supercapacitors

    SciTech Connect (OSTI)

    Delnick, F.M.

    1993-11-01

    Carbon supercapacitors are represented as distributed RC networks with transmission line equivalent circuits. At low charge/discharge rates and low frequencies these networks approximate a simple series R{sub ESR}C circuit. The energy efficiency of the supercapacitor is limited by the voltage drop across the ESR. The pore structure of the carbon electrode defines the electrochemically active surface area which in turn establishes the volume specific capacitance of the carbon material. To date, the highest volume specific capacitance reported for a supercapacitor electrode is 220F/cm{sup 3} in aqueous H{sub 2}SO{sub 4} (10) and {approximately}60 F/cm{sup 3} in nonaqueous electrolyte (8).

  10. Carbon microtubes

    DOE Patents [OSTI]

    Peng, Huisheng (Shanghai, CN); Zhu, Yuntian Theodore (Cary, NC); Peterson, Dean E. (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM)

    2011-06-14

    A carbon microtube comprising a hollow, substantially tubular structure having a porous wall, wherein the microtube has a diameter of from about 10 .mu.m to about 150 .mu.m, and a density of less than 20 mg/cm.sup.3. Also described is a carbon microtube, having a diameter of at least 10 .mu.m and comprising a hollow, substantially tubular structure having a porous wall, wherein the porous wall comprises a plurality of voids, said voids substantially parallel to the length of the microtube, and defined by an inner surface, an outer surface, and a shared surface separating two adjacent voids.

  11. Reaction mechanism studies of unsaturated molecules using photofragment translational spectroscopy

    SciTech Connect (OSTI)

    Longfellow, C.A. |

    1996-05-01

    A number of molecules have been studied using the technique of photofragment translational spectroscopy. In Chapter One a brief introduction to the experimental technique is given. In Chapter Two the infrared multiphoton dissociation (IRMPD) of acetic acid is discussed. Carbon dioxide and methane were observed for the first time as products from dissociation under collisionless conditions. Chapter Three relates an IRMPD experiment of hexafluoropropene. The predominant channel produces CFCF{sub 3} or C{sub 2}F{sub 4} and CF{sub 2}, with the heavier species undergoing further dissociation to two CF{sub 2} fragments. In Chapter Four the ultraviolet (UV) dissociation of hexafluoropropene is investigated. Chapter Five explores the IRMPD of octafluoro-1-butene and octafluoro-2-butene.

  12. Covalent Bonding in Actinide Sandwich Molecules

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

    requires a comprehensive theoretical effort to deconvolute spectra composed of numerous electronic transitions. Challenges associated with quantitative carbon K-edge XAS were...

  13. Covalent Bonding in Actinide Sandwich Molecules

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

    describe bonding in organometallics are at frequently at odds with classical coordination chemistry, in that they invoke a covalent bond between the metal and the carbon-based...

  14. Catalytic conversion of alcohols having at least three carbon atoms to hydrocarbon blendstock

    DOE Patents [OSTI]

    Narula, Chaitanya K.; Davison, Brian H.

    2015-11-13

    A method for producing a hydrocarbon blendstock, the method comprising contacting at least one saturated acyclic alcohol having at least three and up to ten carbon atoms with a metal-loaded zeolite catalyst at a temperature of at least 100°C and up to 550°C, wherein the metal is a positively-charged metal ion, and the metal-loaded zeolite catalyst is catalytically active for converting the alcohol to the hydrocarbon blendstock, wherein the method directly produces a hydrocarbon blendstock having less than 1 vol % ethylene and at least 35 vol % of hydrocarbon compounds containing at least eight carbon atoms.

  15. Biomimetic Dye Molecules for Solar Cells

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

    electron transfer, for example in hemoglobin and cytochrome c. The active center of these dyes-the heme-is similar to that of porphyrin molecules, but it contains additional atoms...

  16. Biomimetic Dye Molecules for Solar Cells

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

    The most cost-effective solar cells are not high-end, high-efficiency single-crystal devices, but rather low-end cells based on organic molecules or conducting polymers. Vital ...

  17. Carbon | Open Energy Information

    Open Energy Info (EERE)

    Carbon Jump to: navigation, search TODO: Add description Related Links List of Companies in Carbon Sector Retrieved from "http:en.openei.orgwindex.php?titleCarbon&oldid271960...

  18. Do triatomic molecules echo atomic periodicity?

    SciTech Connect (OSTI)

    Hefferlin, R. Barrow, J.

    2015-03-30

    Demonstrations of periodicity among triatomic-molecular spectroscopic constants underscore the role of the periodic law as a foundation of chemistry. The objective of this work is to prepare for another test using vibration frequencies ?{sub 1} of free, ground-state, main-group triatomic molecules. Using data from four data bases and from computation, we have collected ?{sub 1} data for molecules formed from second period atoms.

  19. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Biomimetic Dye Molecules for Solar Cells Print Wednesday, 28 April 2010 00:00 Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most

  20. Recovery of tritium from tritiated molecules

    DOE Patents [OSTI]

    Swansiger, W.A.

    1984-10-17

    This invention relates to the recovery of tritium from various tritiated molecules by reaction with uranium. More particularly, the invention relates to the recovery of tritium from tritiated molecules by reaction with uranium wherein the reaction is conducted in a reactor which permits the reaction to occur as a moving front reaction from the point where the tritium enters the reactor charged with uranium down the reactor until the uranium is exhausted.

  1. Covalent Bonding in Actinide Sandwich Molecules

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

    Covalent Bonding in Actinide Sandwich Molecules Covalent Bonding in Actinide Sandwich Molecules Print Wednesday, 28 May 2014 00:00 Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic

  2. Sol-gel method for encapsulating molecules

    DOE Patents [OSTI]

    Brinker, C. Jeffrey; Ashley, Carol S.; Bhatia, Rimple; Singh, Anup K.

    2002-01-01

    A method for encapsulating organic molecules, and in particular, biomolecules using sol-gel chemistry. A silica sol is prepared from an aqueous alkali metal silicate solution, such as a mixture of silicon dioxide and sodium or potassium oxide in water. The pH is adjusted to a suitably low value to stabilize the sol by minimizing the rate of siloxane condensation, thereby allowing storage stability of the sol prior to gelation. The organic molecules, generally in solution, is then added with the organic molecules being encapsulated in the sol matrix. After aging, either a thin film can be prepared or a gel can be formed with the encapsulated molecules. Depending upon the acid used, pH, and other processing conditions, the gelation time can be from one minute up to several days. In the method of the present invention, no alcohols are generated as by-products during the sol-gel and encapsulation steps. The organic molecules can be added at any desired pH value, where the pH value is generally chosen to achieve the desired reactivity of the organic molecules. The method of the present invention thereby presents a sufficiently mild encapsulation method to retain a significant portion of the activity of the biomolecules, compared with the activity of the biomolecules in free solution.

  3. Synergistic effect of mixing dimethyl ether with methane, ethane, propane, and ethylene fuels on polycyclic aromatic hydrocarbon and soot formation

    SciTech Connect (OSTI)

    Yoon, S.S.; Anh, D.H.; Chung, S.H.

    2008-08-15

    Characteristics of polycyclic aromatic hydrocarbon (PAH) and soot formation in counterflow diffusion flames of methane, ethane, propane, and ethylene fuels mixed with dimethyl ether (DME) have been investigated. Planar laser-induced incandescence and fluorescence techniques were employed to measure relative soot volume fractions and PAH concentrations, respectively. Results showed that even though DME is known to be a clean fuel in terms of soot formation, DME mixture with ethylene fuel increases PAH and soot formation significantly as compared to the pure ethylene case, while the mixture of DME with methane, ethane, and propane decreases PAH and soot formation. Numerical calculations adopting a detailed kinetics showed that DME can be decomposed to produce a relatively large number of methyl radicals in the low-temperature region where PAH forms and grows; thus the mixture of DME with ethylene increases CH{sub 3} radicals significantly in the PAH formation region. Considering that the increase in the concentration of O radicals is minimal in the PAH formation region with DME mixture, the enhancement of PAH and soot formation in the mixture flames of DME and ethylene can be explained based on the role of methyl radicals in PAH and soot formation. Methyl radicals can increase the concentration of propargyls, which could enhance incipient benzene ring formation through the propargyl recombination reaction and subsequent PAH growth. Thus, the result substantiates the importance of methyl radicals in PAH and soot formation, especially in the PAH formation region of diffusion flames. (author)

  4. Selective adsorption of ethylene over ethane and propylene over propane in

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

    the metal-organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn) | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome adsorption of ethylene over ethane and propylene over propane in the metal-organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn) Previous Next List Stephen J. Geier, Jarad A. Mason, Eric D. Bloch, Wendy L. Queen, Matthew R. Hudson, Craig M. Brown and Jeffrey R. Long, Chem. Sci., 4, 2054-2061 (2013) DOI: 10.1039/c3sc00032j Abstract: A

  5. A Supramolecular Complex in Small-Molecule Solar Cells based...

    Office of Scientific and Technical Information (OSTI)

    in Small-Molecule Solar Cells based on Contorted Aromatic Molecules Citation Details In-Document Search Title: A Supramolecular Complex in Small-Molecule Solar Cells based on ...

  6. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters

    SciTech Connect (OSTI)

    Seo, D. M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.

    2014-11-13

    Only limited information is available regarding the manner in which cyclic carbonate and ester solvents coordinate Li+ cations in electrolyte solutions for lithium batteries. One approach to gleaning significant insight into these interactions is to examine crystalline solvate structures. To this end, eight new solvate structures are reported with ethylene carbonate, ?-butyrolactone and ?-valerolactone: (EC)3:LiClO4, (EC)2:LiClO4, (EC)2:LiBF4, (GBL)4:LiPF6, (GBL)1:LiClO4, (GVL)1:LiClO4, (GBL)1:LiBF4 and (GBL)1:LiCF3SO3. The crystal structure of (EC)1:LiCF3SO3 is also re-reported for comparison. These structures enable the factors which govern the manner in which the ions are coordinated and the ion/solvent packingin the solid-stateto be scrutinized in detail.

  7. Reliable Energy Level Alignment at Physisorbed Molecule-Metal...

    Office of Scientific and Technical Information (OSTI)

    at Physisorbed Molecule-Metal Interfaces from Density Functional Theory Title: Reliable Energy Level Alignment at Physisorbed Molecule-Metal Interfaces from Density Functional ...

  8. Measurement of the formation rate of muonic hydrogen molecules...

    Office of Scientific and Technical Information (OSTI)

    the formation rate of muonic hydrogen molecules Citation Details In-Document Search Title: Measurement of the formation rate of muonic hydrogen molecules Authors: Andreev, V. A. ; ...

  9. NERSC Helps Physicists ID New Molecules With Unique Features

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

    applications," they wrote. "These molecules can be used for targeted non-invasive drug delivery. When assembled, the molecules can also form new high strength magnets...

  10. Nanopost Arrays Anchor Molecules, Improve Ion Yields for Laser...

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

    Nanopost Arrays Anchor Molecules, Improve Ion Yields for Laser Mass Spectrometry Oak Ridge ... to detect and analyze molecules by laser mass spectrometry: A matrix of nanoposts ...

  11. Molecule Nanoweaver Creates High-Tech Medical Patches and Multilayered...

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

    Molecule Nanoweaver Creates High-Tech Medical Patches and Multilayered Capsules Technology available for licensing: Molecule Nanoweaver, a unique tool that can be used as both a...

  12. Protein Scaffolding for Small Molecule Catalysts

    SciTech Connect (OSTI)

    Baker, David

    2014-09-14

    We aim to design hybrid catalysts for energy production and storage that combine the high specificity, affinity, and tunability of proteins with the potent chemical reactivities of small organometallic molecules. The widely used Rosetta and RosettaDesign methodologies will be extended to model novel protein / small molecule catalysts in which one or many small molecule active centers are supported and coordinated by protein scaffolding. The promise of such hybrid molecular systems will be demonstrated with the nickel-phosphine hydrogenase of DuBois et. al.We will enhance the hydrogenase activity of the catalyst by designing protein scaffolds that incorporate proton relays and systematically modulate the local environment of the catalyticcenter. In collaboration with DuBois and Shaw, the designs will be experimentally synthesized and characterized.

  13. Cavity sideband cooling of trapped molecules

    SciTech Connect (OSTI)

    Kowalewski, Markus; Vivie-Riedle, Regina de [Department of Chemistry, Ludwig-Maximilian-Universitaet, D-81377 Munich (Germany); Morigi, Giovanna [Departament de Fisica, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain); Theoretische Physik, Universitaet des Saarlandes, D-66041 Saarbruecken (Germany); Pinkse, Pepijn W. H. [MESA Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500AE Enschede (Netherlands)

    2011-09-15

    The efficiency of cavity sideband cooling of trapped molecules is theoretically investigated for the case in which the infrared transition between two rovibrational states is used as a cycling transition. The molecules are assumed to be trapped either by a radiofrequency or optical trapping potential, depending on whether they are charged or neutral, and confined inside a high-finesse optical resonator that enhances radiative emission into the cavity mode. Using realistic experimental parameters and COS as a representative molecular example, we show that in this setup, cooling to the trap ground state is feasible.

  14. Carbon investment funds

    SciTech Connect (OSTI)

    2007-01-15

    The report is a study of the development of funds to invest in the purchase of carbon credits. It takes a look at the growing market for carbon credits, the rise of carbon investment funds, and the current state of carbon investing. Topics covered in the report include: Overview of climate change, greenhouse gases, and the Kyoto Protocols. Analysis of the alternatives for reducing carbon emissions including nitrous oxide reduction, coal mine methane capture and carbon capture and storage; Discussion of the different types of carbon credits; Discussion of the basics of carbon trading; Evaluation of the current status of carbon investing; and Profiles of 37 major carbon investment funds worldwide.

  15. Structure sensitivity in the nonscalable regime explored via catalysed ethylene hydrogenation on supported platinum nanoclusters

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Crampton, Andrew S.; Rötzer, Marian D.; Ridge, Claron J.; Schweinberger, Florian F.; Heiz, Ueli; Yoon, Bokwon; Landman, Uzi

    2016-01-28

    The sensitivity, or insensitivity, of catalysed reactions to catalyst structure is a commonly employed fundamental concept. Here we report on the nature of nano-catalysed ethylene hydrogenation, investigated through experiments on size-selected Ptn (n=8-15) clusters soft-landed on magnesia and first-principles simulations, yielding benchmark information about the validity of structure sensitivity/insensitivity at the bottom of the catalyst size range. Both ethylene-hydrogenation-to-ethane and the parallel hydrogenation–dehydrogenation ethylidyne-producing route are considered, uncovering that at the <1 nm size-scale the reaction exhibits characteristics consistent with structure sensitivity, in contrast to structure insensitivity found for larger particles. The onset of catalysed hydrogenation occurs for Ptn (n≥10)more » clusters at T>150 K, with maximum room temperature reactivity observed for Pt13. Structure insensitivity, inherent for specific cluster sizes, is induced in the more active Pt13 by a temperature increase up to 400 K leading to ethylidyne formation. As a result, control of sub-nanometre particle size may be used for tuning catalysed hydrogenation activity and selectivity.« less

  16. A systematic approach to vertically excited states of ethylene using configuration interaction and coupled cluster techniques

    SciTech Connect (OSTI)

    Feller, David, E-mail: dfeller@owt.com; Peterson, Kirk A. [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States); Davidson, Ernest R. [Department of Chemistry, University of Washington, Seattle, Washington 98195-1700 (United States)

    2014-09-14

    A systematic sequence of configuration interaction and coupled cluster calculations were used to describe selected low-lying singlet and triplet vertically excited states of ethylene with the goal of approaching the all electron, full configuration interaction/complete basis set limit. Included among these is the notoriously difficult, mixed valence/Rydberg {sup 1}B{sub 1u} V state. Techniques included complete active space and iterative natural orbital configuration interaction with large reference spaces which led to variational spaces of 1.8 10{sup 9} parameters. Care was taken to avoid unintentionally biasing the results due to the widely recognized sensitivity of the V state to the details of the calculation. The lowest vertical and adiabatic ionization potentials to the {sup 2}B{sub 3u} and {sup 2}B{sub 3} states were also determined. In addition, the heat of formation of twisted ethylene {sup 3}A{sub 1} was obtained from large basis set coupled cluster theory calculations including corrections for core/valence, scalar relativistic and higher order correlation recovery.

  17. Interplay between water uptake, ion interactions, and conductivity in an e-beam grafted poly(ethylene-co-tetrafluoroethylene) anion exchange membrane

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Pandey, Tara P.; Maes, Ashley M.; Sarode, Himanshu N.; Peters, Bethanne D.; Lavina, Sandra; Vezzù, Keti; Yang, Yuan; Poynton, Simon D.; Varcoe, John R.; Seifert, Soenke; et al

    2014-12-23

    We demonstrate that the true hydroxide conductivity in an e-beam grafted poly(ethylene-co-tetrafluoroethylene) [ETFE] anion exchange membrane (AEM) is as high as 132 mS cm-1 at 80 °C and 95% RH, comparable to a proton exchange membrane, but with very much less water present in the film. To understand this behaviour we studied ion transport of hydroxide, carbonate, bicarbonate and chloride, as well as water uptake and distribution. Water uptake of the AEM in water vapor is an order of magnitude lower than when submerged in liquid water. In addition 19F pulse field gradient spin echo NMR indicates that there ismore » little tortuosity in the ionic pathways through the film. A complete analysis of the IR spectrum of the AEM and the analyses of water absorption using FT-IR led to conclusion that the fluorinated backbone chains do not interact with water and that two types of water domains exist within the membrane. The reduction in conductivity was measured during exposure of the OH- form of the AEM to air at 95% RH and was seen to be much slower than the reaction of CO2 with OH- as the amount of water in the film determines its ionic conductivity and at relative wet RHs its re-organization is slow.« less

  18. Interplay between water uptake, ion interactions, and conductivity in an e-beam grafted poly(ethylene-co-tetrafluoroethylene) anion exchange membrane

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Pandey, Tara P.; Maes, Ashley M.; Sarode, Himanshu N.; Peters, Bethanne D.; Lavina, Sandra; Vezzu, Keti; Yang, Yuan; Poynton, Simon D.; Varcoe, John R.; Seifert, Soenke; et al

    2014-12-23

    We demonstrate that the true hydroxide conductivity in an e-beam grafted poly(ethylene-co-tetrafluoroethylene) [ETFE] anion exchange membrane (AEM) is as high as 132 mS cm-1 at 80 °C and 95% RH, comparable to a proton exchange membrane, but with very much less water present in the film. To understand this behaviour we studied ion transport of hydroxide, carbonate, bicarbonate and chloride, as well as water uptake and distribution. Water uptake of the AEM in water vapor is an order of magnitude lower than when submerged in liquid water. In addition 19F pulse field gradient spin echo NMR indicates that there ismore » little tortuosity in the ionic pathways through the film. A complete analysis of the IR spectrum of the AEM and the analyses of water absorption using FT-IR led to conclusion that the fluorinated backbone chains do not interact with water and that two types of water domains exist within the membrane. Furthermore, the reduction in conductivity was measured during exposure of the OH- form of the AEM to air at 95% RH and was seen to be much slower than the reaction of CO2 with OH- as the amount of water in the film determines its ionic conductivity and at relative wet RHs its re-organization is slow.« less

  19. Interplay between water uptake, ion interactions, and conductivity in an e-beam grafted poly(ethylene-co-tetrafluoroethylene) anion exchange membrane

    SciTech Connect (OSTI)

    Pandey, Tara P.; Maes, Ashley M.; Sarode, Himanshu N.; Peters, Bethanne D.; Lavina, Sandra; Vezz, Keti; Yang, Yuan; Poynton, Simon D.; Varcoe, John R.; Seifert, Soenke; Liberatore, Matthew W.; Di Noto, Vito; Herring, Andrew M.

    2014-12-23

    We demonstrate that the true hydroxide conductivity in an e-beam grafted poly(ethylene-co-tetrafluoroethylene) [ETFE] anion exchange membrane (AEM) is as high as 132 mS cm-1 at 80 C and 95% RH, comparable to a proton exchange membrane, but with very much less water present in the film. To understand this behaviour we studied ion transport of hydroxide, carbonate, bicarbonate and chloride, as well as water uptake and distribution. Water uptake of the AEM in water vapor is an order of magnitude lower than when submerged in liquid water. In addition 19F pulse field gradient spin echo NMR indicates that there is little tortuosity in the ionic pathways through the film. A complete analysis of the IR spectrum of the AEM and the analyses of water absorption using FT-IR led to conclusion that the fluorinated backbone chains do not interact with water and that two types of water domains exist within the membrane. The reduction in conductivity was measured during exposure of the OH- form of the AEM to air at 95% RH and was seen to be much slower than the reaction of CO2 with OH- as the amount of water in the film determines its ionic conductivity and at relative wet RHs its re-organization is slow.

  20. Method for sequencing nucleic acid molecules

    DOE Patents [OSTI]

    Korlach, Jonas; Webb, Watt W.; Levene, Michael; Turner, Stephen; Craighead, Harold G.; Foquet, Mathieu

    2006-06-06

    The present invention is directed to a method of sequencing a target nucleic acid molecule having a plurality of bases. In its principle, the temporal order of base additions during the polymerization reaction is measured on a molecule of nucleic acid, i.e. the activity of a nucleic acid polymerizing enzyme on the template nucleic acid molecule to be sequenced is followed in real time. The sequence is deduced by identifying which base is being incorporated into the growing complementary strand of the target nucleic acid by the catalytic activity of the nucleic acid polymerizing enzyme at each step in the sequence of base additions. A polymerase on the target nucleic acid molecule complex is provided in a position suitable to move along the target nucleic acid molecule and extend the oligonucleotide primer at an active site. A plurality of labelled types of nucleotide analogs are provided proximate to the active site, with each distinguishable type of nucleotide analog being complementary to a different nucleotide in the target nucleic acid sequence. The growing nucleic acid strand is extended by using the polymerase to add a nucleotide analog to the nucleic acid strand at the active site, where the nucleotide analog being added is complementary to the nucleotide of the target nucleic acid at the active site. The nucleotide analog added to the oligonucleotide primer as a result of the polymerizing step is identified. The steps of providing labelled nucleotide analogs, polymerizing the growing nucleic acid strand, and identifying the added nucleotide analog are repeated so that the nucleic acid strand is further extended and the sequence of the target nucleic acid is determined.

  1. Method for sequencing nucleic acid molecules

    DOE Patents [OSTI]

    Korlach, Jonas; Webb, Watt W.; Levene, Michael; Turner, Stephen; Craighead, Harold G.; Foquet, Mathieu

    2006-05-30

    The present invention is directed to a method of sequencing a target nucleic acid molecule having a plurality of bases. In its principle, the temporal order of base additions during the polymerization reaction is measured on a molecule of nucleic acid, i.e. the activity of a nucleic acid polymerizing enzyme on the template nucleic acid molecule to be sequenced is followed in real time. The sequence is deduced by identifying which base is being incorporated into the growing complementary strand of the target nucleic acid by the catalytic activity of the nucleic acid polymerizing enzyme at each step in the sequence of base additions. A polymerase on the target nucleic acid molecule complex is provided in a position suitable to move along the target nucleic acid molecule and extend the oligonucleotide primer at an active site. A plurality of labelled types of nucleotide analogs are provided proximate to the active site, with each distinguishable type of nucleotide analog being complementary to a different nucleotide in the target nucleic acid sequence. The growing nucleic acid strand is extended by using the polymerase to add a nucleotide analog to the nucleic acid strand at the active site, where the nucleotide analog being added is complementary to the nucleotide of the target nucleic acid at the active site. The nucleotide analog added to the oligonucleotide primer as a result of the polymerizing step is identified. The steps of providing labelled nucleotide analogs, polymerizing the growing nucleic acid strand, and identifying the added nucleotide analog are repeated so that the nucleic acid strand is further extended and the sequence of the target nucleic acid is determined.

  2. Seeing Atoms and Molecules in Action with an Electron 'Eye'

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

    Seeing Atoms and Molecules in Action with an Electron 'Eye' ← Previous Next →

  3. Carbon Capital | Open Energy Information

    Open Energy Info (EERE)

    Capital Jump to: navigation, search Name: Carbon Capital Place: United Kingdom Sector: Carbon Product: Manages a carbon fund specialised in forestry projects References: Carbon...

  4. Phosphoketolase Pathway Engineering for Carbon-Efficient Biocatalysis

    SciTech Connect (OSTI)

    Henard, Calvin Andrew; Freed, Emily Frances; Guarnieri, Michael Thomas

    2015-09-08

    Recent advances in metabolic engineering have facilitated the development of microbial biocatalysts capable of producing an array of bio-products, ranging from fuels to drug molecules. These bio-products are commonly generated through an acetyl-CoA intermediate, which serves as a key precursor in the biological conversion of carbon substrates. Moreover, conventional biocatalytic upgrading strategies proceeding through this route are limited by low carbon efficiencies, in large part due to carbon losses associated with pyruvate decarboxylation to acetyl-CoA. Bypass of pyruvate decarboxylation offers a means to dramatically enhance carbon yields and, in turn, bioprocess economics. Here, we discuss recent advances and prospects for employing the phosphoketolase pathway for direct biosynthesis of acetyl-CoA from carbon substrates, and phosphoketolase-based metabolic engineering strategies for carbon efficient biocatalysis.

  5. Automated imaging system for single molecules

    DOE Patents [OSTI]

    Schwartz, David Charles; Runnheim, Rodney; Forrest, Daniel

    2012-09-18

    There is provided a high throughput automated single molecule image collection and processing system that requires minimal initial user input. The unique features embodied in the present disclosure allow automated collection and initial processing of optical images of single molecules and their assemblies. Correct focus may be automatically maintained while images are collected. Uneven illumination in fluorescence microscopy is accounted for, and an overall robust imaging operation is provided yielding individual images prepared for further processing in external systems. Embodiments described herein are useful in studies of any macromolecules such as DNA, RNA, peptides and proteins. The automated image collection and processing system and method of same may be implemented and deployed over a computer network, and may be ergonomically optimized to facilitate user interaction.

  6. Superheated-steam test of ethylene propylene rubber cables using a simultaneous aging and accident environment

    SciTech Connect (OSTI)

    Bennett, P.R.; St. Clair, S.D.; Gilmore, T.W.

    1986-06-01

    The superheated-steam test exposed different ethylene propylene rubber (EPR) cables and insulation specimens to simultaneous aging and a 21-day simultaneous accident environment. In addition, some insulation specimens were exposed to five different aging conditions prior to the 21-day simultaneous accident simulation. The purpose of this superheated-steam test (a follow-on to the saturated-steam tests (NUREG/CR-3538)) was to: (1) examine electrical degradation of different configurations of EPR cables; (2) investigate differences between using superheated-steam or saturated-steam at the start of an accident simulation; (3) determine whether the aging technique used in the saturated-steam test induced artificial degradation; and (4) identify the constituents in EPR that affect moisture absorption.

  7. Plants having modified response to ethylene by transformation with an ETR nucleic acid

    DOE Patents [OSTI]

    Meyerowitz, Elliott M.; Chang, Caren; Bleecker, Anthony B.

    2001-01-01

    The invention includes transformed plants having at least one cell transformed with a modified ETR nucleic acid. Such plants have a phenotype characterized by a decrease in the response of at least one transformed plant cell to ethylene as compared to a plant not containing the transformed plant cell. Tissue and/or temporal specificity for expression of the modified ETR nucleic acid is controlled by selecting appropriate expression regulation sequences to target the location and/or time of expression of the transformed nucleic acid. The plants are made by transforming at least one plant cell with an appropriate modified ETR nucleic acid, regenerating plants from one or more of the transformed plant cells and selecting at least one plant having the desired phenotype.

  8. Synthesis of terminal alkenes from internal alkenes and ethylene via olefin metathesis

    DOE Patents [OSTI]

    Schrodi, Yann

    2016-02-09

    This invention relates generally to olefin metathesis, and more particularly relates to the synthesis of terminal alkenes from internal alkenes using a cross-metathesis reaction catalyzed by a selected olefin metathesis catalyst. In one embodiment of the invention, for example, a method is provided for synthesizing a terminal olefin, the method comprising contacting an olefinic substrate comprised of at least one internal olefin with ethylene, in the presence of a metathesis catalyst, wherein the catalyst is present in an amount that is less than about 1000 ppm relative to the olefinic substrate, and wherein the metathesis catalyst has the structure of formula (II) ##STR00001## wherein the various substituents are as defined herein. The invention has utility, for example, in the fields of catalysis, organic synthesis, and industrial chemistry.

  9. Synthesis of terminal alkenes from internal alkenes and ethylene via olefin metathesis

    DOE Patents [OSTI]

    Schrodi, Yann

    2011-11-29

    This invention relates generally to olefin metathesis, and more particularly relates to the synthesis of terminal alkenes from internal alkenes using a cross-metathesis reaction catalyzed by a selected olefin metathesis catalyst. In one embodiment of the invention, for example, a method is provided for synthesizing a terminal olefin, the method comprising contacting an olefinic substrate comprised of at least one internal olefin with ethylene, in the presence of a metathesis catalyst, wherein the catalyst is present in an amount that is less than about 1000 ppm relative to the olefinic substrate, and wherein the metathesis catalyst has the structure of formula (II) ##STR00001## wherein the various substituents are as defined herein. The invention has utility, for example, in the fields of catalysis, organic synthesis, and industrial chemistry.

  10. Synthesis of terminal alkenes from internal alkenes and ethylene via olefin metathesis

    DOE Patents [OSTI]

    Schrodi, Yann

    2013-07-09

    This invention relates generally to olefin metathesis, and more particularly relates to the synthesis of terminal alkenes from internal alkenes using a cross-metathesis reaction catalyzed by a selected olefin metathesis catalyst. In one embodiment of the invention, for example, a method is provided for synthesizing a terminal olefin, the method comprising contacting an olefinic substrate comprised of at least one internal olefin with ethylene, in the presence of a metathesis catalyst, wherein the catalyst is present in an amount that is less than about 1000 ppm relative to the olefinic substrate, and wherein the metathesis catalyst has the structure of formula (II) ##STR00001## wherein the various substituents are as defined herein. The invention has utility, for example, in the fields of catalysis, organic synthesis, and industrial chemistry.

  11. Synthesis of terminal alkenes from internal alkenes and ethylene via olefin metathesis

    DOE Patents [OSTI]

    Schrodi, Yann

    2015-09-22

    This invention relates generally to olefin metathesis, and more particularly relates to the synthesis of terminal alkenes from internal alkenes using a cross-metathesis reaction catalyzed by a selected olefin metathesis catalyst. In one embodiment of the invention, for example, a method is provided for synthesizing a terminal olefin, the method comprising contacting an olefinic substrate comprised of at least one internal olefin with ethylene, in the presence of a metathesis catalyst, wherein the catalyst is present in an amount that is less than about 1000 ppm relative to the olefinic substrate, and wherein the metathesis catalyst has the structure of formula (II) ##STR00001## wherein the various substituents are as defined herein. The invention has utility, for example, in the fields of catalysis, organic synthesis, and industrial chemistry.

  12. Poly(cyclohexylethylene)-block-poly(ethylene oxide) block polymers for metal oxide templating

    SciTech Connect (OSTI)

    Schulze, Morgan W.; Sinturel, Christophe

    2015-09-01

    A series of poly(cyclohexylethylene)-block-poly(ethylene oxide) (CEO) diblock copolymers were synthesized through tandem anionic polymerizations and heterogeneous catalytic hydrogenation. Solvent-annealed CEO diblock films were used to template dense arrays of inorganic oxide nanodots via simple spin coating of an inorganic precursor solution atop the ordered film. The substantial chemical dissimilarity of the two blocks enables (i) selective inclusion of the inorganic precursor within the PEO domain and (ii) the formation of exceptionally small feature sizes due to a relatively large interaction parameter estimated from mean-field analysis of the order–disorder transition temperatures of compositionally symmetric samples. UV/ozone treatment following incorporation produces an ordered arrangement of oxide nanodots and simultaneously removes the block polymer template. However, we report the smallest particles (6 ± 1 nm) templated from a selective precursor insertion method to date using a block polymer scaffold.

  13. Poly(cyclohexylethylene)-block-poly(ethylene oxide) block polymers for metal oxide templating

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Schulze, Morgan W.; Sinturel, Christophe; Hillmyer, Marc A.

    2015-09-01

    A series of poly(cyclohexylethylene)-block-poly(ethylene oxide) (CEO) diblock copolymers were synthesized through tandem anionic polymerizations and heterogeneous catalytic hydrogenation. Solvent-annealed CEO diblock films were used to template dense arrays of inorganic oxide nanodots via simple spin coating of an inorganic precursor solution atop the ordered film. The substantial chemical dissimilarity of the two blocks enables (i) selective inclusion of the inorganic precursor within the PEO domain and (ii) the formation of exceptionally small feature sizes due to a relatively large interaction parameter estimated from mean-field analysis of the order–disorder transition temperatures of compositionally symmetric samples. UV/ozone treatment following incorporation produces anmore » ordered arrangement of oxide nanodots and simultaneously removes the block polymer template. However, we report the smallest particles (6 ± 1 nm) templated from a selective precursor insertion method to date using a block polymer scaffold.« less

  14. Local environment in poly(ethylene oxide)-zinc bromide complexes

    SciTech Connect (OSTI)

    Chintipalli, S.; Frech, R.; Grady, B.

    1996-12-31

    This study examines atomic-level local environments in Poly(ethylene oxide)-zinc bromide+lithium bromide (PEO){sub 20}[(ZnBr{sub 2}){sub 1-x} (LiBr){sub x}] complexes using Raman spectroscopy and x-ray absorption spectroscopy (XAS). Specific features in the Raman spectra were used to show that the zinc bromide species changes from ZnBr{sub 2} to ZnBr{sub 3}{sup -} to ZnBr{sub 4}{sup 2-} when x is varied from 0 to 0.8. XAS showed a similar change in oxygen coordination number from 4 to 0 when x is varied from 0 to 0.8. This study shows that lithium atoms displace zinc atoms from ether oxygen speciation indicating that lithium coordination to ether oxygens is thermodynamically favored. The effect of adding polar plasticizers is also discussed.

  15. Understanding How Surface Morphology and Hydrogen Dissolution Influence Ethylene Hydrogenation on Palladium

    SciTech Connect (OSTI)

    Dohnalek, Zdenek; Kim, Jooho; Kay, Bruce D.

    2008-10-09

    Ethylene hydrogenation is a prototypical reaction for catalytic hydrogenation of unsaturated hydrocarbons and as such it has been studied on a number of metals. On single crystalline Pd(111), Pd(110), and Pd(100) surfaces this reaction has been shown to be structure insensitive and to occur with extremely low yield (0.1%) (refs). Recent studies on support4ed Pd particles showed an approximately 10-folded increase in the ethane yield per surface Pd atom which was attributed to the increased surface to bulk Pd ratio on the particles thereby giving rise to reduced sorption of hydrogen into the bulk. The enhanced concentration of surface hydrogen is believed to result in the observed increase in catalytic activity. Even on these nanoparticles the C2H6 yield is relatively low (~2%)(refs).

  16. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  17. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  18. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  19. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  20. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  1. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  2. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  3. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  4. Biomimetic Dye Molecules for Solar Cells

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

    Biomimetic Dye Molecules for Solar Cells Print Pressing energy problems provide opportunities for solid-state physicists and chemists to solve a major challenge: solar cell adoption. Though solar cells can use energy directly from the Sun to produce electricity that can be converted efficiently into other kinds of energy, they are currently too costly to compete with traditional (polluting) energy sources. The most cost-effective solar cells are not high-end, high-efficiency single-crystal

  5. Covalent Bonding in Actinide Sandwich Molecules

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

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  6. Covalent Bonding in Actinide Sandwich Molecules

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

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  7. Covalent Bonding in Actinide Sandwich Molecules

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

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  8. Covalent Bonding in Actinide Sandwich Molecules

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

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  9. Covalent Bonding in Actinide Sandwich Molecules

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

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  10. Covalent Bonding in Actinide Sandwich Molecules

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

    Covalent Bonding in Actinide Sandwich Molecules Print Glenn Seaborg was one of the first scientists to recognize that differences in the degree of covalent bonding in lanthanide and actinide compounds could have profound consequences for their unique chemical reactivity and physical properties. Now, researchers working at ALS Beamline 11.0.2 have found evidence for unexpected bonding interactions in two organometallic actinide "sandwich" complexes that have been lightning rods in

  11. Allosteric Modulation of DNA by Small Molecules

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

    Allosteric Modulation of DNA by Small Molecules Signals originating at the cell surface are conveyed by a complex system of interconnected signaling pathways to the nucleus. They converge at transcription factors, which in turn regulate the transcription of sets of genes that result in the gene expression. Many human diseases are caused by dysregulated gene expression and the oversupply of transcription factors may be required for the growth and metastatic behavior of human cancers. Cell

  12. Method of making carbon-carbon composites

    DOE Patents [OSTI]

    Engle, Glen B.

    1993-01-01

    A process for making 2D and 3D carbon-carbon composites having a combined high crystallinity, high strength, high modulus and high thermal and electrical conductivity. High-modulus/high-strength mesophase derived carbon fibers are woven into a suitable cloth. Layers of this easily graphitizible woven cloth are infiltrated with carbon material to form green composites. The carbonized composite is then impregnated several times with pitch by covering the composite with hot pitch under pressure. The composites are given a heat treatment between each impregnant step to crack up the infiltrated carbon and allow additional pitch to enter the microstructure during the next impregnation cycle. The impregnated composites are then given a final heat treatment in the range 2500.degree. to 3100.degree. C. to fully graphitize the fibers and the matrix carbon. The composites are then infiltrated with pyrolytic carbon by chemical vapor deposition in the range 1000.degree. C. to 1300.degree. C. at a reduced. pressure.

  13. Carbon Capture (Carbon Cycle 2.0)

    ScienceCinema (OSTI)

    Smit, Berend

    2011-06-08

    Berend Smit speaks at the Carbon Cycle 2.0 kick-off symposium Feb. 3, 2010. We emit more carbon into the atmosphere than natural processes are able to remove - an imbalance with negative consequences. Carbon Cycle 2.0 is a Berkeley Lab initiative to provide the science needed to restore this balance by integrating the Labs diverse research activities and delivering creative solutions toward a carbon-neutral energy future. http://carboncycle2.lbl.gov/

  14. Forest Carbon Cycle

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

    of carbon is the difference of two large fluxes: photosynthesis and respiration. Carbon fixation by photosynthesis is, to a large extent, a single process with theoretical...

  15. Composite carbon foam electrode

    DOE Patents [OSTI]

    Mayer, Steven T.; Pekala, Richard W.; Kaschmitter, James L.

    1997-01-01

    Carbon aerogels used as a binder for granularized materials, including other forms of carbon and metal additives, are cast onto carbon or metal fiber substrates to form composite carbon thin film sheets. The thin film sheets are utilized in electrochemical energy storage applications, such as electrochemical double layer capacitors (aerocapacitors), lithium based battery insertion electrodes, fuel cell electrodes, and electrocapacitive deionization electrodes. The composite carbon foam may be formed by prior known processes, but with the solid particles being added during the liquid phase of the process, i.e. prior to gelation. The other forms of carbon may include carbon microspheres, carbon powder, carbon aerogel powder or particles, graphite carbons. Metal and/or carbon fibers may be added for increased conductivity. The choice of materials and fibers will depend on the electrolyte used and the relative trade off of system resistivty and power to system energy.

  16. Composite carbon foam electrode

    DOE Patents [OSTI]

    Mayer, S.T.; Pekala, R.W.; Kaschmitter, J.L.

    1997-05-06

    Carbon aerogels used as a binder for granulated materials, including other forms of carbon and metal additives, are cast onto carbon or metal fiber substrates to form composite carbon thin film sheets. The thin film sheets are utilized in electrochemical energy storage applications, such as electrochemical double layer capacitors (aerocapacitors), lithium based battery insertion electrodes, fuel cell electrodes, and electrocapacitive deionization electrodes. The composite carbon foam may be formed by prior known processes, but with the solid particles being added during the liquid phase of the process, i.e. prior to gelation. The other forms of carbon may include carbon microspheres, carbon powder, carbon aerogel powder or particles, graphite carbons. Metal and/or carbon fibers may be added for increased conductivity. The choice of materials and fibers will depend on the electrolyte used and the relative trade off of system resistivity and power to system energy. 1 fig.

  17. The adsorption properties of CO molecules on single-layer graphene nanoribbons

    SciTech Connect (OSTI)

    Yi, Chenglong; Wang, Weidong, E-mail: wangwd@mail.xidian.edu.cn; Shen, Cuili [School of Electrical and Mechanical Engineering, Xidian University, Xi'an 710071 (China)] [School of Electrical and Mechanical Engineering, Xidian University, Xi'an 710071 (China)

    2014-03-15

    The adsorption properties of CO molecules on graphene nanoribbons (GRNs) are studied through the molecular dynamics (MD) method. The AIREBO and LJ potentials are used to describe the C-C bonds in GNR and the interactions between the carbon atoms in GNR and CO molecules, respectively. The influences of the environmental pressure and charge density on the adsorption properties of CO molecules on GRNs are taken into account in this study. The effects of charges carried by GNRs on the adsorption properties are investigated in two aspects: atom distribution and energy evolution. Its observation from the results shows that the Coulomb force plays a more important role in the adsorption phenomenon than the van der Waals force, and the higher the charge density is, the larger the amount of the adsorbed CO molecules becomes. Low charge densities (<3.291 C/m{sup 2}) do little for the system, that is to say, the GNRs present similar properties to the ones with no charges. However, relatively high charge densities (>4.937 C/m{sup 2}) have an obvious effect on the whole system. The results also indicate that the environmental pressure has great influence on the adsorption properties of COs on GRN, and the higher the pressure is, the greater the adsorption energy becomes.

  18. Computational protein design enables a novel one-carbon assimilation pathway

    SciTech Connect (OSTI)

    Siegel, JB; Smith, AL; Poust, S; Wargacki, AJ; Bar-Even, A; Louw, C; Shen, BW; Eiben, CB; Tran, HM; Noor, E; Gallaher, JL; Bale, J; Yoshikuni, Y; Gelb, MH; Keasling, JD; Stoddard, BL; Lidstrom, ME; Baker, D

    2015-03-09

    We describe a computationally designed enzyme, formolase (FLS), which catalyzes the carboligation of three one-carbon formaldehyde molecules into one three-carbon dihydroxyacetone molecule. The existence of FLS enables the design of a new carbon fixation pathway, the formolase pathway, consisting of a small number of thermodynamically favorable chemical transformations that convert formate into a three-carbon sugar in central metabolism. The formolase pathway is predicted to use carbon more efficiently and with less backward flux than any naturally occurring one-carbon assimilation pathway. When supplemented with enzymes carrying out the other steps in the pathway, FLS converts formate into dihydroxyacetone phosphate and other central metabolites in vitro. These results demonstrate how modern protein engineering and design tools can facilitate the construction of a completely new biosynthetic pathway.

  19. Identification of cell density signal molecule

    DOE Patents [OSTI]

    Schwarz, R.I.

    1998-04-21

    Disclosed herein is a novel proteinaceous cell density signal molecule (CDS) between 25 and 35 kD, which is secreted by fibroblastic primary avian tendon cells in culture, and causes the cells to self-regulate their proliferation and the expression of differentiated function. It effects an increase of procollagen production in avian tendon cell cultures of ten fold while proliferation rates are decreased. CDS, and the antibodies which recognize them, are important for the development of diagnostics and treatments for injuries and diseases involving connective tissues, particularly tendon. Also disclosed are methods of production and use. 2 figs.

  20. Identification of cell density signal molecule

    DOE Patents [OSTI]

    Schwarz, Richard I.

    1998-01-01

    Disclosed herein is a novel proteinaceous cell density signal molecule (CDS) between 25 and 35 kD, which is secreted by fibroblastic primary avian tendon cells in culture, and causes the cells to self-regulate their proliferation and the expression of differentiated function. It effects an increase of procollagen production in avian tendon cell cultures of ten fold while proliferation rates are decreased. CDS, and the antibodies which recognize them, are important for the development of diagnostics and treatments for injuries and diseases involving connective tissues, particularly tendon. Also disclosed are methods of production and use.

  1. Microfluidic sieve using intertwined, free-standing carbon nanotube mesh as active medium

    DOE Patents [OSTI]

    Bakajin, Olgica; Noy, Aleksandr

    2007-11-06

    A microfluidic sieve having a substrate with a microfluidic channel, and a carbon nanotube mesh. The carbon nanotube mesh is formed from a plurality of intertwined free-standing carbon nanotubes which are fixedly attached within the channel for separating, concentrating, and/or filtering molecules flowed through the channel. In one embodiment, the microfluidic sieve is fabricated by providing a substrate having a microfluidic channel, and growing the intertwined free-standing carbon nanotubes from within the channel to produce the carbon nanotube mesh attached within the channel.

  2. Acetylenic carbon allotrope

    DOE Patents [OSTI]

    Lagow, R.J.

    1998-02-10

    A fourth allotrope of carbon, an acetylenic carbon allotrope, is described. The acetylenic carbon allotropes of the present invention are more soluble than the other known carbon allotropes in many common organic solvents and possesses other desirable characteristics, e.g. high electron density, ability to burn cleanly, and electrical conductive properties. Many uses for this fourth allotrope are described herein. 17 figs.

  3. Acetylenic carbon allotrope

    DOE Patents [OSTI]

    Lagow, Richard J.

    1999-01-01

    A fourth allotrope of carbon, an acetylenic carbon allotrope, is described. The acetylenic carbon allotropes of the present invention are more soluble than the other known carbon allotropes in many common organic solvents and possesses other desirable characteristics, e.g. high electron density, ability to burn cleanly, and electrical conductive properties. Many uses for this fourth allotrope are described herein.

  4. Acetylenic carbon allotrope

    DOE Patents [OSTI]

    Lagow, Richard J.

    1998-01-01

    A fourth allotrope of carbon, an acetylenic carbon allotrope, is described. The acetylenic carbon allotropes of the present invention are more soluble than the other known carbon allotropes in many common organic solvents and possesses other desirable characteristics, e.g. high electron density, ability to burn cleanly, and electrical conductive properties. Many uses for this fourth allotrope are described herein.

  5. Carbon nanotube composite materials

    DOE Patents [OSTI]

    O'Bryan, Gregory; Skinner, Jack L; Vance, Andrew; Yang, Elaine Lai; Zifer, Thomas

    2015-03-24

    A material consisting essentially of a vinyl thermoplastic polymer, un-functionalized carbon nanotubes and hydroxylated carbon nanotubes dissolved in a solvent. Un-functionalized carbon nanotube concentrations up to 30 wt % and hydroxylated carbon nanotube concentrations up to 40 wt % can be used with even small concentrations of each (less than 2 wt %) useful in producing enhanced conductivity properties of formed thin films.

  6. Carbon Nanotube Based Sensors

    SciTech Connect (OSTI)

    Jiang, Mian; Lin, Yuehe

    2006-11-01

    This review article provides a comprehensive review on sensors and biosensors based on functionalized carbon nanotubes.

  7. Models from Big Molecules Captured in a Flash

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

    Models from Big Molecules Captured in a Flash Models from Big Molecules Captured in a Flash Print Sunday, 26 May 2013 00:00 The structures of most of the two million proteins in...

  8. Mesoporous carbon materials

    DOE Patents [OSTI]

    Dai, Sheng; Fulvio, Pasquale Fernando; Mayes, Richard T.; Wang, Xiqing; Sun, Xiao-Guang; Guo, Bingkun

    2014-09-09

    A conductive mesoporous carbon composite comprising conductive carbon nanoparticles contained within a mesoporous carbon matrix, wherein the conductive mesoporous carbon composite possesses at least a portion of mesopores having a pore size of at least 10 nm and up to 50 nm, and wherein the mesopores are either within the mesoporous carbon matrix, or are spacings delineated by surfaces of said conductive carbon nanoparticles when said conductive carbon nanoparticles are fused with each other, or both. Methods for producing the above-described composite, devices incorporating them (e.g., lithium batteries), and methods of using them, are also described.

  9. NERSC Helps Physicists ID New Molecules With Unique Features

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

    NERSC Helps Physicists ID New Molecules With Unique Features NERSC Helps Physicists ID New Molecules With Unique Features Hollow magnetic cage molecules may have applications in technology, healthcare August 10, 2013 NERSC supercomputing resources helped Virginia Commonwealth University (VCU) researchers determine it may be possible to create large, hollow magnetic cage molecules that could be used in medicine as a drug delivery system to noninvasively treat tumors and in other emerging

  10. The spontaneous synchronized dance of pairs of water molecules (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect The spontaneous synchronized dance of pairs of water molecules Citation Details In-Document Search Title: The spontaneous synchronized dance of pairs of water molecules Molecular beam scattering experiments have been performed to study the effect of long-range anisotropic forces on the collision dynamics of two small polar molecules. The main focus of this paper is on water, but also ammonia and hydrogen sulphide molecules have been investigated, and some results

  11. Toroidal nanotraps for cold polar molecules

    SciTech Connect (OSTI)

    Salhi, Marouane; Passian, Ali; Siopsis, George

    2015-09-14

    Electronic excitations in metallic nanoparticles in the optical regime that have been of great importance in surface-enhanced spectroscopy and emerging applications of molecular plasmonics, due to control and confinement of electromagnetic energy, may also be of potential to control the motion of nanoparticles and molecules. Here, we propose a concept for trapping polarizable particles and molecules using toroidal metallic nanoparticles. Specifically, gold nanorings are investigated for their scattering properties and field distribution to computationally show that the response of these optically resonant particles to incident photons permit the formation of a nanoscale trap when proper aspect ratio, photon wavelength, and polarization are considered. However, interestingly the resonant plasmonic response of the nanoring is shown to be detrimental to the trap formation. The results are in good agreement with analytic calculations in the quasistatic limit within the first-order perturbation of the scalar electric potential. The possibility of extending the single nanoring trapping properties to two-dimensional arrays of nanorings is suggested by obtaining the field distribution of nanoring dimers and trimers.

  12. Toroidal nanotraps for cold polar molecules

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Salhi, Marouane; Passian, Ali; Siopsis, George

    2015-09-14

    Electronic excitations in metallic nanoparticles in the optical regime that have been of great importance in surface-enhanced spectroscopy and emerging applications of molecular plasmonics, due to control and confinement of electromagnetic energy, may also be of potential to control the motion of nanoparticles and molecules. Here, we propose a concept for trapping polarizable particles and molecules using toroidal metallic nanoparticles. Specifically, gold nanorings are investigated for their scattering properties and field distribution to computationally show that the response of these optically resonant particles to incident photons permit the formation of a nanoscale trap when proper aspect ratio, photon wavelength, andmore » polarization are considered. However, interestingly the resonant plasmonic response of the nanoring is shown to be detrimental to the trap formation. The results are in good agreement with analytic calculations in the quasistatic limit within the first-order perturbation of the scalar electric potential. The possibility of extending the single nanoring trapping properties to two-dimensional arrays of nanorings is suggested by obtaining the field distribution of nanoring dimers and trimers.« less

  13. Closeout of Advanced Boron and Metal Loaded High Porosity Carbons.

    SciTech Connect (OSTI)

    Peter C. Eklund (deceased); T. C. Mike Chung; Henry C. Foley; Vincent H. Crespi

    2011-05-01

    The Penn State effort explored the development of new high-surface-area materials for hydrogen storage, materials that could offer enhancement in the hydrogen binding energy through a direct chemical modification of the framework in high specific-surface-area platforms. The team chemically substituted boron into the hexagonal sp2 carbon framework, dispersed metal atoms bound to the boro-carbon structure, and generated the theory of novel nanoscale geometries that can enhance storage through chemical frustration, sheet curvature, electron deficiency, large local fields and mixed hybridization states. New boro-carbon materials were synthesized by high temperature plasma, pyrolysis of boron-carbon precursor molecules, and post-synthesis modification of carbons. Hydrogen uptake has been assessed, and several promising leads have been identified, with the requirement to simultaneously optimize total surface area while maintaining the enhanced hydrogen binding energies already demonstrated.

  14. Functionalized carbon nanotubes and nanofibers for biosensing applications

    SciTech Connect (OSTI)

    Wang, Jun; Lin, Yuehe

    2008-07-30

    This review summarizes the recent advances of carbon nanotube (CNT) and carbon nanofiber (CNF)-based electrochemical biosensors with an emphasis on the applications of CNTs. Carbon nanotubes and carbon nanofibers have unique electric, electrocatalytic, and mechanical properties which make them efficient materials for the use in electrochemical biosensor development. In this article, the functionalization of CNTs for biosensors is simply discussed. The electrochemical biosensors based on CNT and their various applications, e.g., measurement of small biological molecules and environmental pollutants, detection of DNA, and immunosensing of disease biomarkers, are reviewed. Moreover, the development of carbon nanofiber-based electrochemical biosensors and their applications are outlined. Finally, some challenges are discussed in the conclusion.

  15. The crystal structure of methane B at 8 GPaAn ?-Mn arrangement of molecules

    SciTech Connect (OSTI)

    Maynard-Casely, H. E. Lundegaard, L. F.; Loa, I.; McMahon, M. I.; Gregoryanz, E.; Nelmes, R. J.; Loveday, J. S.

    2014-12-21

    From a combination of powder and single-crystal synchrotron x-ray diffraction data we have determined the carbon substructure of phase B of methane at a pressure of ?8 GPa. We find this substructure to be cubic with space group I4{sup }3m and 58 molecules in the unit cell. The unit cell has a lattice parameter a = 11.911(1) at 8.3(2) GPa, which is a factor of ?2 larger than had previously been proposed by Umemoto et al. [J. Phys.: Condens. Matter 14, 10675 (2002)]. The substructure as now solved is not related to any close-packed arrangement, contrary to previous proposals. Surprisingly, the arrangement of the carbon atoms is isostructural with that of ?-manganese at ambient conditions.

  16. NiW and NiRu Bimetallic Catalysts for Ethylene Steam Reforming: Alternative Mechanisms for Sulfur Resistance

    SciTech Connect (OSTI)

    Rangan, M.; Yung, M. M.; Medlin, J. W.

    2012-06-01

    Previous investigations of Ni-based catalysts for the steam reforming of hydrocarbons have indicated that the addition of a second metal can reduce the effects of sulfur poisoning. Two systems that have previously shown promise for such applications, NiW and NiRu, are considered here for the steam reforming of ethylene, a key component of biomass derived tars. Monometallic and bimetallic Al{sub 2}O{sub 3}-supported Ni and W catalysts were employed for ethylene steam reforming in the presence and absence of sulfur. The NiW catalysts were less active than Ni in the absence of sulfur, but were more active in the presence of 50 ppm H{sub 2}S. The mechanism for the W-induced improvements in sulfur resistance appears to be different from that for Ru in NiRu. To probe reasons for the sulfur resistance of NiRu, the adsorption of S and C{sub 2}H{sub 4} on several bimetallic NiRu alloy surfaces ranging from 11 to 33 % Ru was studied using density functional theory (DFT). The DFT studies reveal that sulfur adsorption is generally favored on hollow sites containing Ru. Ethylene preferentially adsorbs atop the Ru atom in all the NiRu (111) alloys investigated. By comparing trends across the various bimetallic models considered, sulfur adsorption was observed to be correlated with the density of occupied states near the Fermi level while C{sub 2}H{sub 4} adsorption was correlated with the number of unoccupied states in the d-band. The diverging mechanisms for S and C{sub 2}H{sub 4} adsorption allow for bimetallic surfaces such as NiRu that enhance ethylene binding without accompanying increases in sulfur binding energy. In contrast, bimetallics such as NiSn and NiW appear to decrease the affinity of the surface for both the reagent and the poison.

  17. Carbon fuel cells with carbon corrosion suppression

    DOE Patents [OSTI]

    Cooper, John F.

    2012-04-10

    An electrochemical cell apparatus that can operate as either a fuel cell or a battery includes a cathode compartment, an anode compartment operatively connected to the cathode compartment, and a carbon fuel cell section connected to the anode compartment and the cathode compartment. An effusion plate is operatively positioned adjacent the anode compartment or the cathode compartment. The effusion plate allows passage of carbon dioxide. Carbon dioxide exhaust channels are operatively positioned in the electrochemical cell to direct the carbon dioxide from the electrochemical cell.

  18. Features of the spectral dependences of transmittance of organic semiconductors based on tert-butyl substituted lutetium phthalocyanine molecules

    SciTech Connect (OSTI)

    Belogorokhov, I. A.; Tikhonov, E. V.; Dronov, M. A.; Belogorokhova, L. I.; Ryabchikov, Yu. V.; Tomilova, L. G.; Khokhlov, D. R.

    2011-11-15

    Vibronic properties of organic semiconductors based on tert-butyl substituted phthalocyanine lutetium diphthalocyanine molecules are studied by IR and Raman spectroscopy. It is shown that substitution of several carbon atoms in initial phthalocyanine (Pc) ligands with {sup 13}C isotope atoms causes a spectral shift in the main absorption lines attributed to benzene, isoindol, and peripheral C-H groups. A comparison of spectral characteristics showed that the shift can vary from 3 to 1 cm{sup -1}.

  19. Effect of a uniform electric field on soot in laminar premixed ethylene/air flames

    SciTech Connect (OSTI)

    Wang, Y.; Yao, Q. [Key Laboratory of Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, 100084 Beijing (China); Nathan, G.J. [School of Mechanical Engineering, Centre for Energy Technology, The University of Adelaide, S.A. 5005 (Australia); Alwahabi, Z.T.; King, K.D.; Ho, K. [School of Chemical Engineering, Centre for Energy Technology, The University of Adelaide, S.A. 5005 (Australia)

    2010-07-15

    The effect of a nominally uniform electric field on the initially uniform distribution of soot has been assessed for laminar premixed ethylene/air flames from a McKenna burner. An electrophoretic influence on charged soot particles was measured through changes to the deposition rate of soot on the McKenna plug, using laser extinction (LE). Soot volume fraction was measured in situ using laser-induced incandescence (LII). Particle size and morphologies were assessed through ex situ transmission electron microscopy (TEM) using thermophoretic sampling particle diagnostics (TSPD). The results show that the majority of these soot particles are positively charged. The presence of a negatively charged plug was found to decrease the particle residence times in the flame and to influence the formation and oxidation progress. A positively charged plug has the opposite effect. The effect on soot volume fraction, particles size and morphology with electric field strength is also reported. Flame stability was also found to be affected by the presence of the electric field, with the balance of the electrophoretic force and drag force controlling the transition to unstable flame flicker. The presence of charged species generated by the flame was found to reduce the dielectric field strength to one seventh that of air. (author)

  20. Assessing the toxic effects of ethylene glycol ethers using Quantitative Structure Toxicity Relationship models

    SciTech Connect (OSTI)

    Ruiz, Patricia; Mumtaz, Moiz; Gombar, Vijay

    2011-07-15

    Experimental determination of toxicity profiles consumes a great deal of time, money, and other resources. Consequently, businesses, societies, and regulators strive for reliable alternatives such as Quantitative Structure Toxicity Relationship (QSTR) models to fill gaps in toxicity profiles of compounds of concern to human health. The use of glycol ethers and their health effects have recently attracted the attention of international organizations such as the World Health Organization (WHO). The board members of Concise International Chemical Assessment Documents (CICAD) recently identified inadequate testing as well as gaps in toxicity profiles of ethylene glycol mono-n-alkyl ethers (EGEs). The CICAD board requested the ATSDR Computational Toxicology and Methods Development Laboratory to conduct QSTR assessments of certain specific toxicity endpoints for these chemicals. In order to evaluate the potential health effects of EGEs, CICAD proposed a critical QSTR analysis of the mutagenicity, carcinogenicity, and developmental effects of EGEs and other selected chemicals. We report here results of the application of QSTRs to assess rodent carcinogenicity, mutagenicity, and developmental toxicity of four EGEs: 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 2-butoxyethanol and their metabolites. Neither mutagenicity nor carcinogenicity is indicated for the parent compounds, but these compounds are predicted to be developmental toxicants. The predicted toxicity effects were subjected to reverse QSTR (rQSTR) analysis to identify structural attributes that may be the main drivers of the developmental toxicity potential of these compounds.

  1. Experimental and modeling investigation of aromatic and polycyclic aromatic hydrocarbon formation in a premixed ethylene flame

    SciTech Connect (OSTI)

    Castaldi, M.J.; Marinov, N.M.; Melius, C.F.

    1996-02-01

    Experimental and detailed chemical kinetic modeling has been performed to investigate aromatic and polyaromatic hydrocarbon formation pathways in a rich, sooting, ethylene-oxygen-argon premixed flame. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.5 was used to acquire experimental data for model validation. Gas composition analysis was conducted by an on-line gas chromatograph/mass spectrometer (GC/MS) technique. Measurements were made in the flame and post-flame zone for a number of low molecular weight species, aliphatics, aromatics and polycyclic aromatic hydrocarbons (PAHs) ranging from two to five-aromatic fused rings. The modeling results show the key reaction sequences leading to aromatic and polycyclic aromatic hydrocarbon growth involve the combination of resonantly stabilized radicals. In particular, propargyl and 1-methylallenyl combination reactions lead to benzene and methyl substituted benzene formation, while polycyclic aromatics are formed from cyclopentadienyl radicals and fused rings that have a shared C{sub 5} side structure. Naphthalene production through the reaction step of cyclopentadienyl self-combination and phenanthrene formation from indenyl and cyclopentadienyl combination were shown to be important in the flame modeling study. The removal of phenyl by O{sub 2} leading to cyclopentadienyl formation is expected to play a pivotal role in the PAH or soot precursor growth process under fuel-rich oxidation conditions.

  2. Transsinusoidal Portal Vein Embolization with Ethylene Vinyl Alcohol Copolymer (Onyx): A Feasibility Study in Pigs

    SciTech Connect (OSTI)

    Smits, Maarten L. J.; Vanlangenhove, Peter Sturm, Emiel J. C.; Bosch, Maurice A. A. J. van den; Hav, Monirath Praet, Marleen; Vente, Maarten A. D.; Snaps, Frederic R.; Defreyne, Luc

    2012-10-15

    Purpose: Portal vein embolization is performed to increase the future liver remnant before liver surgery in patients with liver malignancies. This study assesses the feasibility of a transsinusoidal approach for portal vein embolization (PVE) with the ethylene vinyl alcohol copolymer, Onyx. Methods: Indirect portography through contrast injection in the cranial mesenteric artery was performed in eight healthy pigs. Onyx was slowly injected through a microcatheter from a wedged position in the hepatic vein and advanced through the liver lobules into the portal system. The progression of Onyx was followed under fluoroscopy, and the extent of embolization was monitored by indirect portography. The pigs were euthanized immediately (n = 2), at 7 days (n = 4), or at 21 days postprocedure (n = 2). All pigs underwent necropsy and the ex vivo livers were grossly and histopathologically analyzed. Results: Transsinusoidal PVE was successfully performed in five of eight pigs (63%). In 14 of 21 injections (67%), a segmental portal vein could be filled completely. A mean of 1.6 liver lobes per pig was embolized (range 1-2 lobes). There were no periprocedural adverse events. Focal capsular scarring was visible on the surface of two resected livers, yet the capsules remained intact. Histopathological examination showed no signs of recanalization or abscess formation. Mild inflammatory reaction to Onyx was observed in the perivascular parenchyma. Conclusions: The porcine portal vein can be embolized through injection of Onyx from a wedged position in the hepatic vein. Possible complications of transsinusoidal PVE and the effect on contralateral hypertrophy need further study.

  3. Low energy ion-molecule reactions

    SciTech Connect (OSTI)

    Farrar, J.M.

    1993-12-01

    This project is concerned with elucidating the dynamics of elementary ion-molecule reactions at collision energies near and below 1 eV. From measurements of the angular and energy distributions of the reaction products, one can infer intimathe details about the nature of collisions leading to chemical reaction, the geometries and lifetimes of intermediate complexes that govern the reaction dynamics, and the collision energy dependence of these dynamical features. The author employs crossed-beam low energy mass spectrometry technology developed over the last several years, with the focus of current research on proton transfer and hydrogen atom transfer reactions of te O{sup {minus}} ion with species such as HF, H{sub 2}O, and NH{sub 3}.

  4. Metallic carbon materials

    DOE Patents [OSTI]

    Cohen, Marvin Lou; Crespi, Vincent Henry; Louie, Steven Gwon Sheng; Zettl, Alexander Karlwalter

    1999-01-01

    Novel metallic forms of planar carbon are described, as well as methods of designing and making them. Nonhexagonal arrangements of carbon are introduced into a graphite carbon network essentially without destroying the planar structure. Specifically a form of carbon comprising primarily pentagons and heptagons, and having a large density of states at the Fermi level is described. Other arrangements of pentagons and heptagons that include some hexagons, and structures incorporating squares and octagons are additionally disclosed. Reducing the bond angle symmetry associated with a hexagonal arrangement of carbons increases the likelihood that the carbon material will have a metallic electron structure.

  5. Carbon Jungle | Open Energy Information

    Open Energy Info (EERE)

    Jungle Jump to: navigation, search Name: Carbon Jungle Place: El Segundo, California Zip: 90246 Sector: Carbon Product: Carbon Jungle's mission is to decrease CO2 in the atmosphere...

  6. Carbon Connections | Open Energy Information

    Open Energy Info (EERE)

    Connections Jump to: navigation, search Name: Carbon Connections Place: Norfolk, England, United Kingdom Zip: NR4 7TJ Sector: Carbon Product: Carbon Connections links partner...

  7. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Large Magnetization at Carbon Surfaces Print Wednesday, 31 August 2011 00:00 From organic matter to pencil lead, carbon is a versatile...

  8. Asset Carbon | Open Energy Information

    Open Energy Info (EERE)

    Carbon Jump to: navigation, search Name: Asset Carbon Place: United Kingdom Product: UK-based startup looking to invest in CDMJI projects. References: Asset Carbon1 This article...

  9. Method of making carbon-carbon composites

    DOE Patents [OSTI]

    Engle, Glen B.

    1991-01-01

    A process for making a carbon-carbon composite having a combination of high crystallinity, high strength, high modulus and high thermal and electrical conductivity. High-modulus/high-strength mesophase derived carbon fibers are woven into a suitable cloth. Layers of this easily graphitizable woven cloth are covered with petroleum or coal tar pitch and pressed at a temperature a few degrees above the softening point of the pitch to form a green laminated composite. The green composite is restrained in a suitable fixture and heated slowly to carbonize the pitch binder. The carbonized composite is then impregnated several times with pitch by covering the composite with hot pitch under pressure. The composites are given a heat treatment between each impregnation step to crack up the infiltrated carbon and allow additional pitch to enter the microstructure during the next impregnation cycle. The impregnated composites are then given a final heat treatment in the range 2500.degree. to 3000.degree. C. to fully graphitize the fibers and the matrix carbon. The composites are then infiltrated with pyrolytic carbon by chemical vapor deposition in the range 1000.degree. to 1300.degree. C. at a reduced pressure for approximately one hundred and fifty (150) hours.

  10. Preface: Forum on small molecules related to carbon-containing fuels

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Fujita, Etsuko; Goldman, Alan S.

    2015-06-01

    For millennia, human transportation was fueled largely through the consumption of biomass (by humans or domestic animals) and to a lesser extent by wind. The 19th century saw a major shift to coal-fueled transportation, with trains and ships powered by steam engines. A second major shift in the fueling of transportation occurred in the 20th century, this time to petroleum. This transition was not driven by the cost or ease of obtaining energy from oil wells vs. coal mines indeed, the cost of petroleum has always been higher than coal on a per-unit-energy basis but rather by themoretremendous technical advantages of powering engines with liquids, specifically liquid hydrocarbons.less

  11. Carbon Emissions: Food Industry

    U.S. Energy Information Administration (EIA) Indexed Site

    Food Industry Carbon Emissions in the Food Industry The Industry at a Glance, 1994 (SIC Code: 20) Total Energy-Related Emissions: 24.4 million metric tons of carbon (MMTC) -- Pct....

  12. Carbon nanotube nanoelectrode arrays

    DOE Patents [OSTI]

    Ren, Zhifeng; Lin, Yuehe; Yantasee, Wassana; Liu, Guodong; Lu, Fang; Tu, Yi

    2008-11-18

    The present invention relates to microelectode arrays (MEAs), and more particularly to carbon nanotube nanoelectrode arrays (CNT-NEAs) for chemical and biological sensing, and methods of use. A nanoelectrode array includes a carbon nanotube material comprising an array of substantially linear carbon nanotubes each having a proximal end and a distal end, the proximal end of the carbon nanotubes are attached to a catalyst substrate material so as to form the array with a pre-determined site density, wherein the carbon nanotubes are aligned with respect to one another within the array; an electrically insulating layer on the surface of the carbon nanotube material, whereby the distal end of the carbon nanotubes extend beyond the electrically insulating layer; a second adhesive electrically insulating layer on the surface of the electrically insulating layer, whereby the distal end of the carbon nanotubes extend beyond the second adhesive electrically insulating layer; and a metal wire attached to the catalyst substrate material.

  13. Carbon Bearing Trace Gases

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

    Carbon Bearing Trace Gases A critical scientific and policy oriented question is what are the present day sources and sinks of carbon dioxide (CO2) in the natural environment and...

  14. A simple and clean source of low-energy atomic carbon

    SciTech Connect (OSTI)

    Krasnokutski, S. A.; Huisken, F.

    2014-09-15

    A carbon source emitting low-energy carbon atoms from a thin-walled, sealed tantalum tube via thermal evaporation has been constructed. The tube is made from a 0.05?mm thick tantalum foil and filled with {sup 12}C or {sup 13}C carbon powder. After being sealed, it is heated by direct electric current. The solvated carbon atoms diffuse to the outer surface of the tube and, when the temperature rises over 2200?K, the evaporation of atomic carbon from the surface of the tantalum tube is observed. As the evaporated species have low energy they are well-suited for the incorporation into liquid helium droplets by the pick-up technique. Mass analysis of the incorporated species reveals the dominant presence of atomic carbon and very low abundances of C{sub 2} and C{sub 3} molecules (<1%). This is in striking contrast to the thermal evaporation of pure carbon, where C{sub 3} molecules are found to be the dominant species in the gas phase. Due to the thermal evaporation and the absence of high-energy application required for the dissociation of C{sub 2} and C{sub 3} molecules, the present source provides carbon atoms with rather low energy.

  15. Metal filled porous carbon

    DOE Patents [OSTI]

    Gross, Adam F.; Vajo, John J.; Cumberland, Robert W.; Liu, Ping; Salguero, Tina T.

    2011-03-22

    A porous carbon scaffold with a surface and pores, the porous carbon scaffold containing a primary metal and a secondary metal, where the primary metal is a metal that does not wet the surface of the pores of the carbon scaffold but wets the surface of the secondary metal, and the secondary metal is interspersed between the surface of the pores of the carbon scaffold and the primary metal.

  16. Carbon Sequestration.ppt

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

    Concepts Current Sequestration Methods Novel Concepts * Glacial Storage * Biogenic Methane * Mineralization * Waste Streams Recycling * Calcium Carbonate Hydrates Glacial...

  17. Carbon Storage Program

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

    Illinois | Department of Energy Carbon Storage Partner Completes First Year of CO2 Injection Operations in Illinois Carbon Storage Partner Completes First Year of CO2 Injection Operations in Illinois November 19, 2012 - 12:00pm Addthis Washington, DC - A project important to demonstrating the commercial viability of carbon capture, utilization and storage (CCUS) technology has completed the first year of injecting carbon dioxide (CO2) from an industrial plant at a large-scale test site in

  18. Big Sky Carbon Atlas

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    (Acknowledgment to the Big Sky Carbon Sequestration Partnership (BSCSP); see home page at http://www.bigskyco2.org/)

  19. ARM - Measurement - Total carbon

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

    carbon ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Total carbon The total concentration of carbon in all its organic and non-organic forms. Categories Aerosols, Atmospheric Carbon Instruments The above measurement is considered scientifically relevant for the following instruments. Refer to the datastream (netcdf) file headers of each instrument for a list of all available measurements, including

  20. Effect of carbon dioxide and nitrogen on the diffusivity of methane confined in nano-porous carbon aerogel

    SciTech Connect (OSTI)

    Mavila Chathoth, Suresh; He, Lilin; Mamontov, Eugene; Melnichenko, Yuri B

    2012-01-01

    The microscopic diffusivity of methane (CH{sub 4}) confined in nano-porous carbon aerogel was investigated as a function of added carbon dioxide (CO{sub 2}) and nitrogen (N{sub 2}) pressure using quasi-elastic neutron scattering (QENS). In the range of the external pressure of 1-2.5 MPa, the self-diffusivity of methane was found to increase with CO{sub 2} pressure and remain practically unchanged in the N{sub 2} environment. Increasing mobility of methane with CO{sub 2} pressure suggests that the adsorbed CH4 molecules become gradually replaced by CO{sub 2} on the surface of carbon aerogel pores, whereas the presence of N{sub 2} does not induce the replacement. The molecular mobility of the methane, with or without added carbon dioxide and nitrogen, is described by the unrestricted diffusion model, which is characteristic of methane compressed in small pores. On the other hand, both nitrogen and carbon dioxide molecules in carbon aerogel, when studied alone, with no methane present, follow a jump diffusion process, characteristic of the molecular mobility in the densified adsorbed layers on the surface of the aerogel pores.

  1. Intro to Carbon Sequestration

    ScienceCinema (OSTI)

    None

    2010-01-08

    NETL's Carbon Sequestration Program is helping to develop technologies to capture, purify, and store carbon dioxide (CO2) in order to reduce greenhouse gas emissions without adversely influencing energy use or hindering economic growth. Carbon sequestration technologies capture and store CO2 that would otherwise reside in the atmosphere for long periods of time.

  2. How Carbon Capture Works

    Broader source: Energy.gov [DOE]

    Carbon capture, utilization and storage is a process that captures carbon dioxide emissions from sources like coal-fired power plants and either reuses or stores it so it will not enter the atmosphere. We'll break down the process step by step so you can learn how this technology can help us lower our carbon pollution.

  3. Intro to Carbon Sequestration

    SciTech Connect (OSTI)

    2008-03-06

    NETL's Carbon Sequestration Program is helping to develop technologies to capture, purify, and store carbon dioxide (CO2) in order to reduce greenhouse gas emissions without adversely influencing energy use or hindering economic growth. Carbon sequestration technologies capture and store CO2 that would otherwise reside in the atmosphere for long periods of time.

  4. Metallic Carbon Nanotubes and Ag Nanocrystals

    SciTech Connect (OSTI)

    Brus, Louis E

    2014-03-04

    The goal of this DOE solar energy research was to understand how visible light interacts with matter, and how to make electric excitations evolve into separated electrons and holes in photovoltaic cells, especially in nanoparticles and nanowires. Our specific experiments focused on A) understanding plasmon enhanced spectroscopy and charge-transfer (metal-to-molecule) photochemistry on the surface of metallic particles and B) the spectroscopy and photochemistry of carbon nanotubes and graphene. I also worked closely with R. Friesner on theoretical studies of photo-excited electrons near surfaces of titanium dioxide nanoparticles; this process is relevant to the Gratzel photovoltaic cell.

  5. Glucose sensing molecules having selected fluorescent properties

    DOE Patents [OSTI]

    Satcher, Jr., Joe H.; Lane, Stephen M.; Darrow, Christopher B.; Cary, Douglas R.; Tran, Joe Anh

    2004-01-27

    An analyte sensing fluorescent molecule that employs intramolecular electron transfer is designed to exhibit selected fluorescent properties in the presence of analytes such as saccharides. The selected fluorescent properties include excitation wavelength, emission wavelength, fluorescence lifetime, quantum yield, photostability, solubility, and temperature or pH sensitivity. The compound comprises an aryl or a substituted phenyl boronic acid that acts as a substrate recognition component, a fluorescence switch component, and a fluorophore. The fluorophore and switch component are selected such that the value of the free energy for electron transfer is less than about 3.0 kcal mol.sup.-1. Fluorescent compounds are described that are excited at wavelengths greater than 400 nm and emit at wavelengths greater than 450 nm, which is advantageous for optical transmission through skin. The fluorophore is typically selected from transition metal-ligand complexes and thiazine, oxazine, oxazone, or oxazine-one as well as anthracene compounds. The fluorescent compound can be immobilized in a glucose permeable biocompatible polymer matrix that is implantable below the skin.

  6. UNRAVELING THE PHYSICS OF NANOFLUIDIC PHENOMENA AT THE SINGLE-MOLECULE LEVEL

    SciTech Connect (OSTI)

    Fornasiero, Francesco

    2015-10-13

    Despite groundbreaking potential in a broad application space, several nanofluidic phenomena remain poorly understood. Toward advancing the understanding of fluid behavior under nanoscale confinement, we developed a novel, ideal platform for fundamental molecular transport studies, in which the fluidic channel is a single carbon nanotube (CNT). CNTs offer the advantage of simple chemistry and structure, which can be synthetically tuned with nanometer precision and accurately modeled. With combined experimental and computational approaches, we demonstrated that CNT pores with 1-5 nm diameters conduct giant ionic currents that follow an unusual sublinear electrolyte concentration dependence. The large magnitude of the ionic conductance appears to originate from a strong electroosmotic flow in smooth CNT pores. First-principle simulations suggest that electroosmotic flow arises from localized negative polarization charges on carbon atoms near a potassium (K+) ion and from the strong cation-graphitic wall interactions, which drive K+ ions much closer to the wall than chlorides (Cl-). Single-molecule translocation studies reveal that charged molecules may be distinguished from neutral species on the basis of the sign of the transient current change during their passage through the nanopore. Together with shedding light on a few controversial questions in the CNT nanofluidics area, these results may benefit LLNL’s Security Mission by providing the foundation for the development of advanced single-molecule detection system for bio/chem/explosive analytes. In addition, these experimental and computational platforms can be applied to advance fundamental knowledge in other fields, from energy storage and membrane separation to superfluid physics.

  7. Soil metagenomics and carbon cycling

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

    Biosecurity, and Health Environmental Microbiology Soil metagenomics and carbon cycling Soil metagenomics and carbon cycling Establishing a foundational understanding...

  8. Target molecules detection by waveguiding in a photonic silicon membrane

    DOE Patents [OSTI]

    Letant, Sonia E.; Van Buuren, Anthony; Terminello, Louis; Hart, Bradley R.

    2006-12-26

    Disclosed herein is a porous silicon filter capable of binding and detecting biological and chemical target molecules in liquid or gas samples. A photonic waveguiding silicon filter with chemical and/or biological anchors covalently attached to the pore walls bind target molecules. The system uses transmission curve engineering principles to allow measurements to be made in situ and in real time to detect the presence of various target molecules and calculate the concentration of bound target.

  9. Orientational Analysis of Molecules in Thin Films | Stanford Synchrotron

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

    Radiation Lightsource Orientational Analysis of Molecules in Thin Films Monday, September 17, 2012 - 10:00am SSRL Bldg. 137, room 226 Daniel Kaefer The synchrotron-based X-ray absorption spectroscopy is a very powerful tool to unravel the orientation of organic molecules on surfaces or in thin films. This information on the alignment of - most often - highly anisotropic molecules can become crucial if an epitaxial or even crystalline organic growth is desired, if such thin film should serve

  10. Systematic expansion of porous crystals to include large molecules | Center

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

    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Systematic expansion of porous crystals to include large molecules

  11. Controlling orbital-selective Kondo effects in a single molecule...

    Office of Scientific and Technical Information (OSTI)

    coordination chemistry Citation Details In-Document Search Title: Controlling orbital-selective Kondo effects in a single molecule through coordination chemistry Iron(II) ...

  12. Conference: Frontiers in Laser Cooling, Single-Molecule Biophysics...

    Office of Scientific and Technical Information (OSTI)

    Laser Cooling, Single-Molecule Biophysics, and Energy Science: Remarks from Steve Chu at the Scientific Symposium Held in his Honor Citation Details Title: Frontiers in Laser ...

  13. Entropy-based separation of linear chain molecules by exploiting...

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

    Entropy-based separation of linear chain molecules by exploiting differences in the saturation capacities in cage-type zeolites Previous Next List Rajamani Krishna, Jasper M. van...

  14. Self-contained Kondo effect in single molecules (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Self-contained Kondo effect in single molecules Citation Details ... OSTI Identifier: 877620 Report Number(s): LBNL--57492 Journal ID: ISSN 0031-9007; PRLTAO; ...

  15. Making Maps of the Molecules in Seeds | The Ames Laboratory

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

    Making Maps of the Molecules in Seeds Scientists have advanced methods to make maps of the locations of molecules within plant materials. Resolution of 10 to 50 microns, less than a quarter the size of a human hair, is routinely possible. The trick with plant materials is to extract the molecules delicately from thin slices with a fine laser moving stepwise across the sample.Many molecules are analyzed at once using a very sensitive mass spectrometer in this technique known as matrix-assisted

  16. The photodissociation and reaction dynamics of vibrationally excited molecules

    SciTech Connect (OSTI)

    Crim, F.F.

    1993-12-01

    This research determines the nature of highly vibrationally excited molecules, their unimolecular reactions, and their photodissociation dynamics. The goal is to characterize vibrationally excited molecules and to exploit that understanding to discover and control their chemical pathways. Most recently the author has used a combination of vibrational overtone excitation and laser induced fluorescence both to characterize vibrationally excited molecules and to study their photodissociation dynamics. The author has also begun laser induced grating spectroscopy experiments designed to obtain the electronic absorption spectra of highly vibrationally excited molecules.

  17. Mapping protein collapse with single molecule fluorescence and...

    Office of Scientific and Technical Information (OSTI)

    spectroscopy Citation Details In-Document Search Title: Mapping protein collapse with single molecule fluorescence and kinetic synchrotron radiation circular dichroism spectroscopy ...

  18. Carbon dioxide sensor

    DOE Patents [OSTI]

    Dutta, Prabir K. (Worthington, OH); Lee, Inhee (Columbus, OH); Akbar, Sheikh A. (Hilliard, OH)

    2011-11-15

    The present invention generally relates to carbon dioxide (CO.sub.2) sensors. In one embodiment, the present invention relates to a carbon dioxide (CO.sub.2) sensor that incorporates lithium phosphate (Li.sub.3PO.sub.4) as an electrolyte and sensing electrode comprising a combination of lithium carbonate (Li.sub.2CO.sub.3) and barium carbonate (BaCO.sub.3). In another embodiment, the present invention relates to a carbon dioxide (CO.sub.2) sensor has a reduced sensitivity to humidity due to a sensing electrode with a layered structure of lithium carbonate and barium carbonate. In still another embodiment, the present invention relates to a method of producing carbon dioxide (CO.sub.2) sensors having lithium phosphate (Li.sub.3PO.sub.4) as an electrolyte and sensing electrode comprising a combination of lithium carbonate (Li.sub.2CO.sub.3) and barium carbonate (BaCO.sub.3).

  19. X-ray characterization of solid small molecule organic materials

    SciTech Connect (OSTI)

    Billinge, Simon; Shankland, Kenneth; Shankland, Norman; Florence, Alastair

    2014-06-10

    The present invention provides, inter alia, methods of characterizing a small molecule organic material, e.g., a drug or a drug product. This method includes subjecting the solid small molecule organic material to x-ray total scattering analysis at a short wavelength, collecting data generated thereby, and mathematically transforming the data to provide a refined set of data.

  20. Spectroscopic probes of vibrationally excited molecules at chemically significant energies

    SciTech Connect (OSTI)

    Rizzo, T.R.

    1993-12-01

    This project involves the application of multiple-resonance spectroscopic techniques for investigating energy transfer and dissociation dynamics of highly vibrationally excited molecules. Two major goals of this work are: (1) to provide information on potential energy surfaces of combustion related molecules at chemically significant energies, and (2) to test theoretical modes of unimolecular dissociation rates critically via quantum-state resolved measurements.

  1. Generation, Detection and characterization of Gas-Phase Transition Metal containing Molecules

    SciTech Connect (OSTI)

    Steimle, Timothy

    2015-12-15

    The objective of this project was to generate, detect, and characterize small, gas-phase, metal containing molecules. In addition to being relevant to high temperature chemical environments (e.g. plasmas and combustion), gas-phase experiments on metal containing molecules serve as the most direct link to a molecular-level theoretical model for catalysis. Catalysis (i.e. the addition of a small about of recoverable material to control the rate and direction of a chemical reaction) is critical to the petroleum and pharmaceutical industries as well as environmental remediation. Currently, the majority of catalytic materials are based on very expensive metals such as platinum (Pt), palladium (Pd), iridium (Ir,) rhenium (Re), and rhodium (Rh). For example, the catalyst used for converting linear hydrocarbon molecules (e.g. hexane) to cyclic molecules (e.g. cyclohexane) is a mixture of Pt and Re suspended on alumina. It enables straight chain alkanes to be converted into branched-chain alkanes, cyclohexanes and aromatic hydrocarbons which are used, amongst other things, to enhance the octane number of petrol. A second example is the heterogeneous catalysis used in automobile exhaust systems to: a) decrease nitrogen oxide; b) reduce carbon monoxide; and c) oxidize unburned hydrocarbons. The exhaust is vented through a high-surface area chamber lined with Pt, Pd, and Rh. For example, the carbon monoxide is catalytically converted to carbon dioxide by reaction with oxygen. The research results from this work have been published in readily accessible journals1-28. The ground and excited electronic state properties of small metal containing molecules that we determine were: a) electronic state distributions and lifetimes, b) vibrational frequencies, c) bond lengths and angles, d) hyperfine interactions, e) permanent electric dipole moments, mel, and f) magnetic dipoles, μm. In general terms, μel, gives insight into the charge distribution and mm into the number and nature of the unpaired electrons. Analysis of the hyperfine interactions (i.e. Fermi-contact, nuclear electric quadrupole, etc.) is particularly insightful because it results from the interaction of nuclei with non-zero spin and the chemically important valence electrons. The bulk of the spectroscopic techniques used in these studies exploit the sensitivity of laser induced fluorescence (LIF) detection. The spectroscopic schemes employed include: a) cw and pulsed laser field-free(FF) excitation and dispersed LIF (DLIF); b) optical Stark; c) optical Zeeman; d) pump/probe microwave double resonance (PPMODR); e) fluorescence lifetimes, and f) resonant and non-resonant two-photon ionization TOF mass spectrometry. Vibrational spacing, force constants and electronic states distributions are derived from the analysis of pulsed dye laser excitation and DLIF spectra. Geometric structure (bond lengths and angles) and hyperfine parameters are derived from the analysis of cw-laser LIF and PPMODR spectra. Permanent electric dipole moments, mel,, and magnetic dipole moments, mm, are derived from the analysis of optical Stark and Zeeman spectra, respectively. Transition moments are derived from the analysis of radiative lifetimes. A supersonic molecular beam sample of these ephemeral molecules is generated by skimming the products of either a laser ablation/reaction source or a d.c. discharge source.

  2. Electrical, Mechanical and Thermal Properties of Single Molecules

    SciTech Connect (OSTI)

    Tao, Nongjian

    2014-08-20

    The specific aims of the prior DOE grant are to determine the stability of a single molecule bound to two electrodes, study local heating in single molecule junctions due to electron-phonon and electron-electron interactions, measure electron-phonon interactions in single molecule wires; and explore piezoelectric properties of single molecules. We have completed all the major tasks, and also expanded naturally the scope of the project to address several other critical issues in single molecule properties, developed new experimental capabilities, and observed a number of unexpected phenomena. We summarized here some of the findings that are most relevant to the present renewal proposal. More details can be found in the publications resulted from this grant and annual progress reports.

  3. Micro injector sample delivery system for charged molecules

    DOE Patents [OSTI]

    Davidson, James C.; Balch, Joseph W.

    1999-11-09

    A micro injector sample delivery system for charged molecules. The injector is used for collecting and delivering controlled amounts of charged molecule samples for subsequent analysis. The injector delivery system can be scaled to large numbers (>96) for sample delivery to massively parallel high throughput analysis systems. The essence of the injector system is an electric field controllable loading tip including a section of porous material. By applying the appropriate polarity bias potential to the injector tip, charged molecules will migrate into porous material, and by reversing the polarity bias potential the molecules are ejected or forced away from the tip. The invention has application for uptake of charged biological molecules (e.g. proteins, nucleic acids, polymers, etc.) for delivery to analytical systems, and can be used in automated sample delivery systems.

  4. Mesoporous carbon materials

    DOE Patents [OSTI]

    Dai, Sheng (Knoxville, TN); Wang, Xiqing (Oak Ridge, TN)

    2012-02-14

    The invention is directed to a method for fabricating a mesoporous carbon material, the method comprising subjecting a precursor composition to a curing step followed by a carbonization step, the precursor composition comprising: (i) a templating component comprised of a block copolymer, (ii) a phenolic compound or material, (iii) a crosslinkable aldehyde component, and (iv) at least 0.5 M concentration of a strong acid having a pKa of or less than -2, wherein said carbonization step comprises heating the precursor composition at a carbonizing temperature for sufficient time to convert the precursor composition to a mesoporous carbon material. The invention is also directed to a mesoporous carbon material having an improved thermal stability, preferably produced according to the above method.

  5. Mesoporous carbon materials

    DOE Patents [OSTI]

    Dai, Sheng; Wang, Xiqing

    2013-08-20

    The invention is directed to a method for fabricating a mesoporous carbon material, the method comprising subjecting a precursor composition to a curing step followed by a carbonization step, the precursor composition comprising: (i) a templating component comprised of a block copolymer, (ii) a phenolic compound or material, (iii) a crosslinkable aldehyde component, and (iv) at least 0.5 M concentration of a strong acid having a pKa of or less than -2, wherein said carbonization step comprises heating the precursor composition at a carbonizing temperature for sufficient time to convert the precursor composition to a mesoporous carbon material. The invention is also directed to a mesoporous carbon material having an improved thermal stability, preferably produced according to the above method.

  6. Carbon Dioxide Utilization Summit

    Broader source: Energy.gov [DOE]

    The 6th Carbon Dioxide Utilization Summit will be held in Newark, New Jersey, from Feb. 24–26, 2016. The conference will look at the benefits and challenges of carbon dioxide utilization. Advanced Algal Systems Program Manager Alison Goss Eng and Technology Manager Devinn Lambert will be in attendance. Dr. Goss Eng will be chairing a round table on Fuels and Chemicals during the Carbon Dioxide Utilization: From R&D to Commercialization discussion session.

  7. Activated Carbon Injection

    SciTech Connect (OSTI)

    2014-07-16

    History of the Clean Air Act and how the injection of carbon into a coal power plant's flu smoke can reduce the amount of mercury in the smoke.

  8. Reinforced Carbon Nanotubes.

    DOE Patents [OSTI]

    Ren, Zhifen; Wen, Jian Guo; Lao, Jing Y.; Li, Wenzhi

    2005-06-28

    The present invention relates generally to reinforced carbon nanotubes, and more particularly to reinforced carbon nanotubes having a plurality of microparticulate carbide or oxide materials formed substantially on the surface of such reinforced carbon nanotubes composite materials. In particular, the present invention provides reinforced carbon nanotubes (CNTs) having a plurality of boron carbide nanolumps formed substantially on a surface of the reinforced CNTs that provide a reinforcing effect on CNTs, enabling their use as effective reinforcing fillers for matrix materials to give high-strength composites. The present invention also provides methods for producing such carbide reinforced CNTs.

  9. Activated Carbon Injection

    ScienceCinema (OSTI)

    None

    2014-07-22

    History of the Clean Air Act and how the injection of carbon into a coal power plant's flu smoke can reduce the amount of mercury in the smoke.

  10. Rationally tuned micropores within enantiopure metal-organic frameworks for highly selective separation of acetylene and ethylene

    SciTech Connect (OSTI)

    Xiang, Sheng-Chang; Zhang, Zhangjing; Zhao, Cong-Gui; Hong, Kunlun; Zhao, Xuebo; Ding, De-Rong; Xie, Ming-Hua; Wu, Chuan-De; Madhab, Das; Gill, Rachel; Thomas, K Mark; Chen, Banglin

    2011-01-01

    Separation of acetylene and ethylene is an important industrial process because both compounds are essential reagents for a range of chemical products and materials. Current separation approaches include the partial hydrogenation of acetylene into ethylene over a supported Pd catalyst, and the extraction of cracked olefins using an organic solvent; both routes are costly and energy consuming. Adsorption technologies may allow separation, but microporous materials exhibiting highly selective adsorption of C{sub 2}H{sub 2}/C{sub 2}H{sub 4} have not been realized to date. Here, we report the development of tunable microporous enantiopure mixed-metal-organic framework (M'MOF) materials for highly selective separation of C{sub 2}H{sub 2} and C{sub 2}H{sub 4}. The high selectivities achieved suggest the potential application of microporous M'MOFs for practical adsorption-based separation of C{sub 2}H{sub 2}/C{sub 2}H{sub 4}.

  11. Energy, Carbon-emission and Financial Savings from Thermostat Control

    SciTech Connect (OSTI)

    Blasing, T J; Schroeder, Dana

    2013-08-01

    Among the easiest approaches to energy, and cost, savings for most people is the adjustment of thermostats to save energy. Here we estimate savings of energy, carbon, and money in the United States of America (USA) that would result from adjusting thermostats in residential and commercial buildings by about half a degree Celsius downward during the heating season and upward during the cooling season. To obtain as small a unit as possible, and therefore the least likely to be noticeable by most people, we selected an adjustment of one degree Fahrenheit (0.56 degree Celsius) which is the gradation used almost exclusively on thermostats in the USA and is the smallest unit of temperature that has been used historically. Heating and/or cooling of interior building space for personal comfort is sometimes referred to as space conditioning, a term we will use for convenience throughout this work without consideration of humidity. Thermostat adjustment, as we use the term here, applies to thermostats that control the indoor temperature, and not to other thermostats such as those on water heaters. We track emissions of carbon only, rather than of carbon dioxide, because carbon atoms change atomic partners as they move through the carbon cycle, from atmosphere to biosphere or ocean and, on longer time scales, through the rock cycle. To convert a mass of carbon to an equivalent mass of carbon dioxide (thereby including the mass of the 2 oxygen atoms in each molecule) simply multiply by 3.67.

  12. Carbon-Based and Carbon-Supported Heterogeneous Catalysts for...

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

    Carbon-Based and Carbon-Supported Heterogeneous Catalysts for the Conversion of Biomass Carbon-based heterogeneous catalysts play a central role in the conversion of biomass to...

  13. Water and Carbon Dioxide Adsorption at Olivine Surfaces

    SciTech Connect (OSTI)

    Kerisit, Sebastien N.; Bylaska, Eric J.; Felmy, Andrew R.

    2013-11-14

    Plane-wave density functional theory (DFT) calculations were performed to simulate water and carbon dioxide adsorption at the (010) surface of five olivine minerals, namely, forsterite (Mg2SiO4), calcio-olivine (Ca2SiO4), tephroite (Mn2SiO4), fayalite (Fe2SiO4), and Co-olivine (Co2SiO4). Adsorption energies per water molecule obtained from energy minimizations varied from -78 kJ mol-1 for fayalite to -128 kJ mol-1 for calcio-olivine at sub-monolayer coverage and became less exothermic as coverage increased. In contrast, carbon dioxide adsorption energies at sub-monolayer coverage ranged from -20 kJ mol-1 for fayalite to -59 kJ mol-1 for calcio-olivine. Therefore, the DFT calculations show a strong driving force for carbon dioxide displacement by water at the surface of all olivine minerals in a competitive adsorption scenario. Additionally, adsorption energies for both water and carbon dioxide were found to be more exothermic for the alkaline-earth (AE) olivines than for the transition-metal (TM) olivines and to not correlate with the solvation enthalpies of the corresponding divalent cations. However, a correlation was obtained with the charge of the surface divalent cation indicating that the more ionic character of the AE cations in the olivine structure relative to the TM cations leads to greater interactions with adsorbed water and carbon dioxide molecules at the surface and thus more exothermic adsorption energies for the AE olivines. For calcio-olivine, which exhibits the highest divalent cation charge of the five olivines, ab initio molecular dynamics simulations showed that this effect leads both water and carbon dioxide to react with the surface and form hydroxyl groups and a carbonate-like species, respectively.

  14. Renaissance Carbon Investment Ltd | Open Energy Information

    Open Energy Info (EERE)

    Carbon Investment Ltd Jump to: navigation, search Name: Renaissance Carbon Investment Ltd. Place: Shanghai, China Zip: 200052 Sector: Carbon Product: Renaissance Carbon Investment...

  15. Boston Carbon Corp | Open Energy Information

    Open Energy Info (EERE)

    Carbon Corp Jump to: navigation, search Name: Boston Carbon Corp Place: Carlisle, Massachusetts Zip: 1741 Sector: Carbon Product: Boston Carbon Corporation helps develop clean...

  16. Edgewood Carbon Holdings LLC | Open Energy Information

    Open Energy Info (EERE)

    Edgewood Carbon Holdings LLC Jump to: navigation, search Name: Edgewood Carbon Holdings LLC Place: Cornwall, Vermont Zip: 57530 Sector: Carbon Product: Edgewood Carbon Holdings LLC...

  17. Eon Masdar Integrated Carbon | Open Energy Information

    Open Energy Info (EERE)

    Eon Masdar Integrated Carbon Jump to: navigation, search Name: Eon Masdar Integrated Carbon Place: Germany Sector: Carbon Product: Germany-based carbon emission projects developer....

  18. The statistics of single molecule detection: An overview

    SciTech Connect (OSTI)

    Enderlein, J.; Robbins, D.L.; Ambrose, W.P.

    1995-12-31

    An overview of our recent results in modeling single molecule detection in fluid flow is presented. Our mathematical approach is based on a path integral representation. The model accounts for all experimental details, such as light collection, laser excitation, hydrodynamics and diffusion, and molecular photophysics. Special attention is paid to multiple molecule crossings through the detection volume. Numerical realization of the theory is discussed. Measurements of burst size distributions in single B-phycoerythrin molecule detection experiments are presented and compared with theoretical predictions.

  19. Recent progress in electron scattering from atoms and molecules

    SciTech Connect (OSTI)

    Brunger, M. J.; Buckman, S. J.; Sullivan, J. P.; Palihawadana, P.; Jones, D. B.; Chiari, L.; Pettifer, Z.; Silva, G. B. da; Lopes, M. C. A.; Duque, H. V.; Masin, Z.; Gorfinkiel, J. D.; Garcia, G.; Hoshino, M.; Tanaka, H.; Limo-Vieira, P.

    2014-03-05

    We present and discuss recent results, both experimental and theoretical (where possible), for electron impact excitation of the 3s[3/2 ]{sub 1} and 3s?[1/2 ]{sub 1} electronic states in neon, elastic electron scattering from the structurally similar molecules benzene, pyrazine, and 1,4-dioxane and excitation of the electronic states of the important bio-molecule analogue ?-tetrahydrofurfuryl alcohol. While comparison between theoretical and experimental results suggests that benchmarked cross sections for electron scattering from atoms is feasible in the near-term, significant further theoretical development for electron-molecule collisions, particularly in respect to discrete excitation processes, is still required.

  20. Models from Big Molecules Captured in a Flash

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

    Models from Big Molecules Captured in a Flash Models from Big Molecules Captured in a Flash Print Sunday, 26 May 2013 00:00 The structures of most of the two million proteins in the human body are unknown because they can't be crystallized. Peter Zwart of the Physical Biosciences Division and his colleagues have come up with a new algorithm for efficiently solving the structures of proteins and other big molecules in their more natural fluid states, using the "diffract before destroy"

  1. SISGR - Hydrogen Caged in Carbon-Exploration of Novel Carbon-Hydrogen Interactions

    SciTech Connect (OSTI)

    Lueking, Angela; Badding, John; Crespi, Vinent

    2015-12-01

    Hydrogen trapped in a carbon cage, captured through repulsive interactions, is a novel concept in hydrogen storage. Trapping hydrogen via repulsive interactions borrows an idea from macroscale hydrogen storage (i.e. compressed gas storage tanks) and reapplies these concepts on the nanoscale in specially designed molecular containers. Under extreme conditions of pressure, hydrogen solubility in carbon materials is expected to increase and carbon is expected to restructure to minimize volume via a mixed sp2/sp3 hydrogenated state. Thermodynamics dictate that pre-formed C-H structures will rearrange with increased pressure, yet the final carbon-hydrogen interactions may be dependent upon the mechanism by which hydrogen is introduced. Gas “trapping” is meant to denote gas present in a solid in a high density, adsorbed-like state, when the external pressure is much less than that necessary to provide a comparable fluid density. Trapping thus denotes a kinetically metastable state rather than thermodynamic equilibrium. This project probed mechanochemical means to polymerize select hydrocarbons in the presence of gases, in an attempt to form localized carbon cages that trap gases via repulsive interactions. Aromatic, polyaromatic, and hydroaromatic molecules expected to undergo cyclo-addition reactions were polymerized at high (~GPa) pressures to form extended hydrogenated amorphous carbon networks. Notably, aromatics with a pre-existing internal free volume (such as Triptycene) appeared to retain an internal porosity upon application of pressure. However, a high photoluminescence background after polymerization precluded in situ identification of trapped gases. No spectroscopic evidence was found after depressurization that would be indicative of pockets of trapped gases in a localized high-pressure environment. Control studies suggested this measurement may be insensitive to gases at low pressure. Similarly, no spectral fingerprint was found for gas-imbued spherical carbon nanoshells, even after chemical “capping” of the gas-imbued nanoshells to limit gas diffusivity. Subsequently, spectral probes of gas vibrational modes adsorbed in various carbon nanostructures (including activated carbons, single-wall carbon nanotubes, polymers of intrinsic microporosity (PIMs), and UV-irradiated PIMs with decreased pore size) were found only at high pressure. The vibrational mode of the adsorbed film became perturbed in high density films, and the perturbation was sensitive to surface functional groups, pore size, and pore dimension. Experimental results were corroborated with first-principle modeling using density functional theory. Development of semi-empirical correlations that relate the spectral features to pore dimension, geometry, and chemical potential of the adsorbed film are on-going.

  2. Lead carbonate scintillator materials

    DOE Patents [OSTI]

    Derenzo, Stephen E.; Moses, William W.

    1991-01-01

    Improved radiation detectors containing lead carbonate or basic lead carbonate as the scintillator element are disclosed. Both of these scintillators have been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to other known scintillator materials. The radiation detectors disclosed are favorably suited for use in general purpose detection and in medical uses.

  3. Fly ash carbon passivation

    DOE Patents [OSTI]

    La Count, Robert B; Baltrus, John P; Kern, Douglas G

    2013-05-14

    A thermal method to passivate the carbon and/or other components in fly ash significantly decreases adsorption. The passivated carbon remains in the fly ash. Heating the fly ash to about 500 and 800 degrees C. under inert gas conditions sharply decreases the amount of surfactant adsorbed by the fly ash recovered after thermal treatment despite the fact that the carbon content remains in the fly ash. Using oxygen and inert gas mixtures, the present invention shows that a thermal treatment to about 500 degrees C. also sharply decreases the surfactant adsorption of the recovered fly ash even though most of the carbon remains intact. Also, thermal treatment to about 800 degrees C. under these same oxidative conditions shows a sharp decrease in surfactant adsorption of the recovered fly ash due to the fact that the carbon has been removed. This experiment simulates the various "carbon burnout" methods and is not a claim in this method. The present invention provides a thermal method of deactivating high carbon fly ash toward adsorption of AEAs while retaining the fly ash carbon. The fly ash can be used, for example, as a partial Portland cement replacement in air-entrained concrete, in conductive and other concretes, and for other applications.

  4. Carbon Nanotube Nanocomposites, Methods of Making Carbon Nanotube...

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

    By combining aligned carbon nanotubes with metal oxides, this technology has higher energy density than technologies based solely on carbon nanotubes, while having higher power ...

  5. Carbonation Mechanism of Reservoir Rock by Supercritical Carbon...

    Open Energy Info (EERE)

    Carbonation Mechanism of Reservoir Rock by Supercritical Carbon Dioxide Geothermal Lab Call Project Jump to: navigation, search Last modified on July 22, 2011. Project Title...

  6. First Proof of Ferromagnetic Carbon

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

    Proof of Ferromagnetic Carbon First Proof of Ferromagnetic Carbon Print Wednesday, 25 July 2007 00:00 Although it has long been suspected that carbon belongs on the short list of...

  7. carbon | OpenEI Community

    Open Energy Info (EERE)

    carbon Home Graham7781's picture Submitted by Graham7781(2017) Super contributor 9 January, 2014 - 13:12 Suburbs offset Low Carbon Footprint of major U.S. Cities carbon cities CO2...

  8. Understanding Small Molecule Interactions in Metal-Organic Frameworks:

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

    Coupling Experiment with Theory | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Understanding Small Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory

  9. Frontiers in Laser Cooling, Single-Molecule Biophysics, and Enrgy...

    Office of Scientific and Technical Information (OSTI)

    Frontiers in Laser Cooling, Single-Molecule Biophysics, and Enrgy Science: A Talk from Paul Alivisatos titled LBNL in the Chu Era Citation Details In-Document Search Title:...

  10. Efficient Monte Carlo Simulations of Gas Molecules Inside Porous...

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

    Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials Previous Next List J. Kim and B. Smit, J. Chem. Theory Comput. 8 (7), 2336 (2012) DOI: 10.1021ct3003699 ...

  11. Isolated menthone reductase and nucleic acid molecules encoding same

    DOE Patents [OSTI]

    Croteau, Rodney B; Davis, Edward M; Ringer, Kerry L

    2013-04-23

    The present invention provides isolated menthone reductase proteins, isolated nucleic acid molecules encoding menthone reductase proteins, methods for expressing and isolating menthone reductase proteins, and transgenic plants expressing elevated levels of menthone reductase protein.

  12. Molecule Nanoweaver Improves Drug Delivery and Treatment Efficacy...

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

    along the synthetic route by using the powerful tool of solid-state NMR analyses. Upon development of a mature protocol, the Molecule Nanoweaver would operate on an assembly...

  13. Atom-diatom scattering dynamics of spinning molecules

    SciTech Connect (OSTI)

    Eyles, C. J.; Flo, J.; Averbukh, I. Sh.; Leibscher, M.

    2015-01-14

    We present full quantum mechanical scattering calculations using spinning molecules as target states for nuclear spin selective atom-diatom scattering of reactive D+H{sub 2} and F+H{sub 2} collisions. Molecules can be forced to rotate uni-directionally by chiral trains of short, non-resonant laser pulses, with different nuclear spin isomers rotating in opposite directions. The calculations we present are based on rotational wavepackets that can be created in this manner. As our simulations show, target molecules with opposite sense of rotation are predominantly scattered in opposite directions, opening routes for spatially and quantum state selective scattering of close chemical species. Moreover, two-dimensional state resolved differential cross sections reveal detailed information about the scattering mechanisms, which can be explained to a large degree by a classical vector model for scattering with spinning molecules.

  14. Stable Metal-Organic Frameworks Containing Single-Molecule Traps...

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

    Stable Metal-Organic Frameworks Containing Single-Molecule Traps for Enzyme Encapsulation Previous Next List Dawei Feng, Tian-Fu Liu, Jie Su, Mathieu Bosch, Zhangwen Wei, Wei Wan,...

  15. Orientational Analysis of Molecules in Thin Films | Stanford...

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

    Molecules in Thin Films Monday, September 17, 2012 - 10:00am SSRL Bldg. 137, room 226 Daniel Kaefer The synchrotron-based X-ray absorption spectroscopy is a very powerful tool to...

  16. Capture and Release of Guest Molecules by Optical Responsive

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

    Metal-Organic Polyhedra (MOP) | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Capture and Release of Guest Molecules by Optical Responsive Metal-Organic Polyhedra (MOP)

  17. Understanding Enzyme Activity Using Single Molecule Tracking (Poster)

    SciTech Connect (OSTI)

    Liu, Y.-S.; Zeng, Y.; Luo, Y.; Xu, Q.; Himmel, M.; Smith S.; Wei, H.; Ding, S.-Y.

    2009-06-01

    This poster describes single-molecule tracking and total internal reflection fluorescence microscopy. It discusses whether the carbohydrate-binding module (CBM) moves on cellulose, how the CBM binds to cellulose, and the mechanism of cellulosome assembly.

  18. Method of monitoring photoactive organic molecules in-situ during gas-phase deposition of the photoactive organic molecules

    DOE Patents [OSTI]

    Forrest, Stephen R.; Vartanian, Garen; Rolin, Cedric

    2015-06-23

    A method for in-situ monitoring of gas-phase photoactive organic molecules in real time while depositing a film of the photoactive organic molecules on a substrate in a processing chamber for depositing the film includes irradiating the gas-phase photoactive organic molecules in the processing chamber with a radiation from a radiation source in-situ while depositing the film of the one or more organic materials and measuring the intensity of the resulting photoluminescence emission from the organic material. One or more processing parameters associated with the deposition process can be determined from the photoluminescence intensity data in real time providing useful feedback on the deposition process.

  19. Calculations of diatomic molecules with the LCTCO method. Double excited states of the H/sub 2/ molecule

    SciTech Connect (OSTI)

    Kirnos, V.N.; Samsonov, B.F.; Cheglokov, E.I.

    1987-01-01

    Autoionizing states of a molecule are short-lived and decay, as a rule, producing separate particles and ions. In particular, the H/sub 2/ molecule in such states decays into H/sub 2//sup +/ + e/sup -/, H + H/sup +/ + e/sup -/, or dissociates into two neutral H atoms in the ground and excited states. Nonempirical calculations of 20 autoionizing states of the H/sub 2/ molecule are performed in a two-center orbital basis and for two values of the internuclear distance. Results obtained are compared with other results known from the literature.

  20. Extracting vibrational beat signatures in spectrally dense molecules using

    Office of Scientific and Technical Information (OSTI)

    multi-pulse femtosecond coherent anti-Stokes Raman spectroscopy. (Journal Article) | SciTech Connect Extracting vibrational beat signatures in spectrally dense molecules using multi-pulse femtosecond coherent anti-Stokes Raman spectroscopy. Citation Details In-Document Search Title: Extracting vibrational beat signatures in spectrally dense molecules using multi-pulse femtosecond coherent anti-Stokes Raman spectroscopy. No abstract prepared. Authors: Nelson, Thomas Robert ; Urayama, Junji

  1. Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer

    Office of Scientific and Technical Information (OSTI)

    Mechanochemistry (Journal Article) | SciTech Connect Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Citation Details In-Document Search Title: Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Authors: Wang, J ; Kouznetsova, T B ; Niu, Z ; Ong, M T ; Klukovich, H M ; Rheingold, A L ; Martinez, T J ; Craig, S L Publication Date: 2014-11-05 OSTI Identifier: 1184168 Report Number(s): LLNL-JRNL-663754 DOE

  2. Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer

    Office of Scientific and Technical Information (OSTI)

    Mechanochemistry (Journal Article) | SciTech Connect Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry Citation Details In-Document Search Title: Inducing and Quantifying Forbidden Reactivity with Single Molecule Polymer Mechanochemistry × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit

  3. Mechanistic characterization and crystal structure of a small molecule

    Office of Scientific and Technical Information (OSTI)

    inactivator bound to plasminogen activator inhibitor-1 (Journal Article) | SciTech Connect Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1 Citation Details In-Document Search Title: Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1 Authors: Li, Shih-Hon ; Reinke, Ashley A. ; Sanders, Karen L. ; Emal, Cory D. ; Whisstock, James C. ; Stuckey,

  4. Novel Biosynthetic Pathway for Production of Fatty Acid Derived Molecules -

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

    Energy Innovation Portal Industrial Technologies Industrial Technologies Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Novel Biosynthetic Pathway for Production of Fatty Acid Derived Molecules Lawrence Berkeley National Laboratory Contact LBL About This Technology Technology Marketing SummaryJay Keasling and Eric Steen of Berkeley Lab have invented what may be the most efficient metabolic pathway for producing fatty acids, and their derived molecules of

  5. A Suite of Engineered GFP Molecules for Oligomeric Scaffolding (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect A Suite of Engineered GFP Molecules for Oligomeric Scaffolding Citation Details In-Document Search Title: A Suite of Engineered GFP Molecules for Oligomeric Scaffolding Authors: Leibly, David J. ; Arbing, Mark A. ; Pashkov, Inna ; DeVore, Natasha ; Waldo, Geoffrey S. ; Terwilliger, Thomas C. ; Yeates, Todd O. [1] ; LANL) [2] + Show Author Affiliations UCLA ( Publication Date: 2015-11-30 OSTI Identifier: 1227481 Resource Type: Journal Article Resource Relation:

  6. A Suite of Engineered GFP Molecules for Oligomeric Scaffolding (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect A Suite of Engineered GFP Molecules for Oligomeric Scaffolding Citation Details In-Document Search This content will become publicly available on August 31, 2016 Title: A Suite of Engineered GFP Molecules for Oligomeric Scaffolding Authors: Leibly, David J. ; Arbing, Mark A. ; Pashkov, Inna ; DeVore, Natasha ; Waldo, Geoffrey S. ; Terwilliger, Thomas C. ; Yeates, Todd O. Publication Date: 2015-09-01 OSTI Identifier: 1250980 Grant/Contract Number: FC02-02ER63421;

  7. Molecule Nanoweaver Creates High-Tech Medical Patches and Multilayered

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

    Capsules | Argonne National Laboratory Molecule Nanoweaver Creates High-Tech Medical Patches and Multilayered Capsules Technology available for licensing: Molecule Nanoweaver, a unique tool that can be used as both a detector and a fabricator of high-tech patches, multilayered capsules, and other medical products. May increase the market for medical patches Allows creation of medical patches that are more efficient at delivering medication and treatment, speeding up the healing process PDF

  8. Understanding Small-Molecule Interactions in Metal-Organic Frameworks:

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

    Coupling Experiment with Theory | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with Theory Previous Next List Lee, Jason S.; Vlaisavljevich, Bess; Britt, David K.; Brown, Craig M.; Haranczyk, Maciej; Neaton, Jeffrey B.; Smit, Berend; Long, Jeffrey R.; and Queen, Wendy L.. Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment with

  9. Nitrogen molecule activation by excited states of copper

    SciTech Connect (OSTI)

    Sanchez-Zamora, M.; Novaro, O.; Ruiz, M.E. )

    1990-04-05

    Ab initio molecular orbital studies that include variational (with a multiconfiguration reference state of 200 states) and perturbational (including over 3 million configurations) configuration interaction calculations were addressed to the interaction of nitrogen molecules with copper. The Cu ground state {sup 2}S and first two excited states {sup 2}P and {sup 2}D were studied as they interact in different geometrical approaches (including side-on and end-on geometries) with ground-state N{sub 2} molecules.

  10. Ultra-low-temperature reactions of C({sup 3}P{sub 0}) atoms with benzene molecules in helium droplets

    SciTech Connect (OSTI)

    Krasnokutski, Serge A. Huisken, Friedrich

    2014-12-07

    The reaction of carbon atoms with benzene has been investigated in liquid helium droplets at T = 0.37 K. We found an addition of the carbon atom to form an initial intermediate complex followed by a ring opening and the formation of a seven-membered ring. In contrast to a previous gas phase study, the reaction is frozen after these steps and the loss of hydrogen does not occur. A calorimetric technique was applied to monitor the energy balance of the reaction. It was found that more than 267 kJ mol{sup ?1} were released in this reaction. This estimation is in line with quantum chemical calculations of the formation energy of a seven-membered carbon ring. It is suggested that reactions of this kind could be responsible for the low abundance of small polycyclic aromatic hydrocarbon molecules in the interstellar medium. We also found the formation of weakly bonded water-carbon adducts, in which the carbon atom is linked to the oxygen atom of the water molecule with a binding energy of about 33.4 kJ mol{sup ?1}.

  11. Methods And Devices For Characterizing Duplex Nucleic Acid Molecules

    DOE Patents [OSTI]

    Akeson, Mark; Vercoutere, Wenonah; Haussler, David; Winters-Hilt, Stephen

    2005-08-30

    Methods and devices are provided for characterizing a duplex nucleic acid, e.g., a duplex DNA molecule. In the subject methods, a fluid conducting medium that includes a duplex nucleic acid molecule is contacted with a nanopore under the influence of an applied electric field and the resulting changes in current through the nanopore caused by the duplex nucleic acid molecule are monitored. The observed changes in current through the nanopore are then employed as a set of data values to characterize the duplex nucleic acid, where the set of data values may be employed in raw form or manipulated, e.g., into a current blockade profile. Also provided are nanopore devices for practicing the subject methods, where the subject nanopore devices are characterized by the presence of an algorithm which directs a processing means to employ monitored changes in current through a nanopore to characterize a duplex nucleic acid molecule responsible for the current changes. The subject methods and devices find use in a variety of applications, including, among other applications, the identification of an analyte duplex DNA molecule in a sample, the specific base sequence at a single nulceotide polymorphism (SNP), and the sequencing of duplex DNA molecules.

  12. ARM - Measurement - Black carbon concentration

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

    of carbon in its very absorbing, elemental, non-organic, non-oxide form (e.g. graphite). Categories Aerosols, Atmospheric Carbon Instruments The above measurement is...

  13. Carbone Lorraine | Open Energy Information

    Open Energy Info (EERE)

    Carbone Lorraine Jump to: navigation, search Name: Carbone Lorraine Place: France Product: Paris-based company developing industrial applications and systems for the optimal...

  14. Fossil Energy Research Benefits Carbon...

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

    has become a world leader in carbon capture and storage (CCS) science and technology. ... and storing in geologic formations carbon dioxide (CO 2 ) from industrial or power plants. ...

  15. Carbon Capture Research and Development

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

    Center Lawrence Berkeley National Laboratory Research Institute of Innovative Energy Carbon Capture Research and Development Carbon capture and storage from fossil-based power...

  16. Carbon International | Open Energy Information

    Open Energy Info (EERE)

    International Jump to: navigation, search Name: Carbon International Place: London, United Kingdom Zip: NW1 8LH Sector: Carbon Product: London-based energy and communications...

  17. Large Magnetization at Carbon Surfaces

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

    sensors, and data processing. Fortunately, additional research has proven that etching carbon with sulfuric acid can also make the carbon magnetic, opening the door for...

  18. Solgel auto combustion synthesis of CoFe{sub 2}O{sub 4}/1-methyl-2-pyrrolidone nanocomposite with ethylene glycol: Its magnetic characterization

    SciTech Connect (OSTI)

    Topkaya, R.; Kurtan, U.; Junejo, Y.; Baykal, A.

    2013-09-01

    Graphical abstract: - Highlights: CoFe{sub 2}O{sub 4} was generated by solgel autocombustion using 1-methyl-2-pyrrolidone and ethylene glycol. The presence of spin-disordered surface layer on magnetic core was established. A linear dependence of the coercivity on temperature was fitted to Kneller's law. - Abstract: Magnetic nanoparticles were generated by solgel auto combustion synthesis of metal salts in the presence of 1-methyl-2-pyrrolidone, a functional solvent and ethylene glycol as usual solvent. The average crystallite size was obtained by using line profile fitting as 11 5 nm. The saturation magnetization value decreases with usage of the ethylene glycol in synthesis. The observed exchange bias effect further confirms the existence of the magnetically ordered core surrounded by spin-disordered surface layer and the ethylene glycol. Square-root temperature dependence of coercivity can be fitted to Kneller's law in the temperature range of 10400 K. The reduced remanent magnetization values lower than the theoretical value of 0.5 for non-interacting single domain particles indicate the CoFe{sub 2}O{sub 4}-1-methyl-2-pyrrolidone nanocomposite to have uniaxial anisotropy instead of the expected cubic anisotropy according to the StonerWohlfarth model.

  19. Differentiation of O-H and C-H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments

    SciTech Connect (OSTI)

    Salciccioli, Michael [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Yu, Weiting [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Barteau, Mark A. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Chen, Jingguang G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Vlachos, Dionisios G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST)

    2011-05-25

    Understanding and controlling bond-breaking sequences of oxygenates on transition metal catalysts can greatly impact the utilization of biomass feedstocks for fuels and chemicals. The decomposition of ethylene glycol, as the simplest representative of biomass-derived polyols, was studied via density functional theory (DFT) calculations to identify the differences in reaction pathways between Pt and the more active Ni/Pt bimetallic catalyst. Comparison of the computed transition states indicated three potentially feasible paths from ethylene glycol to C1 oxygenated adsorbates on Pt. While not important on Pt, the pathway to 1,2-dioxyethylene (OCH?CH?O) is favored energetically on the Ni/Pt catalyst. Temperature-programmed desorption (TPD) experiments were conducted with deuterated ethylene glycols for comparison with DFT results. These experiments confirmed that decomposition of ethylene glycol on Pt proceeds via initial OH bond cleavage, followed by CH and the second OH bond cleavages, whereas on the Ni/Pt surface, both OH bonds are cleaved initially. The results are consistent with vibrational spectra and indicate that tuning of the catalyst surface can selectively control bond breaking. Finally, the significant mechanistic differences in decomposition of polyols compared to that of monoalcohols and hydrocarbons serve to identify general trends in bond scission sequences.

  20. Removal of carbonyl sulfide using activated carbon adsorption

    SciTech Connect (OSTI)

    Sattler, M.L.; Rosenberk, R.S. [University of Texas, Arlington, TX (United States). Dept. for Civil & Environmental Engineering

    2006-02-15

    Wastewater treatment plant odors are caused by compounds such as hydrogen sulfide (H{sub 2}S), methyl mercaptans, and carbonyl sulfide (COS). One of the most efficient odor control processes is activated carbon adsorption; however, very few studies have been conducted on COS adsorption. COS is not only an odor causing compound but is also listed in the Clean Air Act as a hazardous air pollutant. Objectives of this study were to determine the following: (1) the adsorption capacity of 3 different carbons for COS removal; (2) the impact of relative humidity (RH) on COS adsorption; (3) the extent of competitive adsorption of COS in the presence of H{sub 2}S; and (4) whether ammonia injection would increase COS adsorption capacity. Vapor phase react (VPR; reactivated), BPL (bituminous coal-based), and Centaur (physically modified to enhance H{sub 2}S adsorption) carbons manufactured by Calgon Carbon Corp. were tested in three laboratory-scale columns. It was found that the adsorption capacity of Centaur carbon for COS was higher than the other two carbons, regardless of RH. As humidity increased, the percentage of decrease in adsorption capacity of Centaur carbon, however, was greater than the other two carbons. The carbon adsorption capacity for COS decreased in proportion to the percentage of H{sub 2}S in the gas stream. More adsorption sites appear to be available to H{sub 2}S, a smaller molecule. Ammonia, which has been found to increase H{sub 2}S adsorption capacity, did not increase the capacity for COS.

  1. Hydrogenation of Acetylene-Ethylene Mixtures over Pd and Pd-Ag Alloys: First-Principles Based Kinetic Monte Carlo Simulations

    SciTech Connect (OSTI)

    Mei, Donghai; Neurock, Matthew; Smith, C Michael

    2009-10-22

    The kinetics for the selective hydrogenation of acetylene-ethylene mixtures over model Pd(111) and bimetallic Pd-Ag alloy surfaces were examined using first principles based kinetic Monte Carlo (KMC) simulations to elucidate the effects of alloying as well as process conditions (temperature and hydrogen partial pressure). The mechanisms that control the selective and unselective routes which included hydrogenation, dehydrogenation and C-?C bond breaking pathways were analyzed using first-principle density functional theory (DFT) calculations. The results were used to construct an intrinsic kinetic database that was used in a variable time step kinetic Monte Carlo simulation to follow the kinetics and the molecular transformations in the selective hydrogenation of acetylene-ethylene feeds over Pd and Pd-Ag surfaces. The lateral interactions between coadsorbates that occur through-surface and through-space were estimated using DFT-parameterized bond order conservation and van der Waal interaction models respectively. The simulation results show that the rate of acetylene hydrogenation as well as the ethylene selectivity increase with temperature over both the Pd(111) and the Pd-Ag/Pd(111) alloy surfaces. The selective hydrogenation of acetylene to ethylene proceeds via the formation of a vinyl intermediate. The unselective formation of ethane is the result of the over-hydrogenation of ethylene as well as over-hydrogenation of vinyl to form ethylidene. Ethylidene further hydrogenates to form ethane and dehydrogenates to form ethylidyne. While ethylidyne is not reactive, it can block adsorption sites which limit the availability of hydrogen on the surface and thus act to enhance the selectivity. Alloying Ag into the Pd surface decreases the overall rated but increases the ethylene selectivity significantly by promoting the selective hydrogenation of vinyl to ethylene and concomitantly suppressing the unselective path involving the hydrogenation of vinyl to ethylidene and the dehydrogenation ethylidene to ethylidyne. This is consistent with experimental results which suggest only the predominant hydrogenation path involving the sequential addition of hydrogen to form vinyl and ethylene exists over the Pd-Ag alloys. Ag enhances the desorption of ethylene and hydrogen from the surface thus limiting their ability to undergo subsequent reactions. The simulated apparent activation barriers were calculated to be 32-44 kJ/mol on Pd(111) and 26-31 kJ/mol on Pd-Ag/Pd(111) respectively. The reaction was found to be essentially first order in hydrogen over Pd(111) and Pd-Ag/Pd(111) surfaces. The results reveal that increases in the hydrogen partial pressure increase the activity but decrease ethylene selectivity over both Pd and Pd-Ag/Pd(111) surfaces. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  2. Terrestrial Carbon Cycle

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

    Terrestrial Carbon Cycle "Only about half of the CO2 released into the atmosphere by human activities currently resides in the atmosphere, the rest absorbed on land and in the oceans. The period over which the carbon will be sequestered is unclear, and the efficiency of future sinks is unknown." US Carbon Cycle Research Plan "We" desire to be able to predict the future spatial and temporal distribution of sources and sinks of atmospheric CO2 and their interaction (forcing and

  3. IMPACCT: Carbon Capture Technology

    SciTech Connect (OSTI)

    2012-01-01

    IMPACCT Project: IMPACCT’s 15 projects seek to develop technologies for existing coal-fired power plants that will lower the cost of carbon capture. Short for “Innovative Materials and Processes for Advanced Carbon Capture Technologies,” the IMPACCT Project is geared toward minimizing the cost of removing carbon dioxide (CO2) from coal-fired power plant exhaust by developing materials and processes that have never before been considered for this application. Retrofitting coal-fired power plants to capture the CO2 they produce would enable greenhouse gas reductions without forcing these plants to close, shifting away from the inexpensive and abundant U.S. coal supply.

  4. Improving carbon fixation pathways

    SciTech Connect (OSTI)

    Ducat, DC; Silver, PA

    2012-08-01

    A recent resurgence in basic and applied research on photosynthesis has been driven in part by recognition that fulfilling future food and energy requirements will necessitate improvements in crop carbon-fixation efficiencies. Photosynthesis in traditional terrestrial crops is being reexamined in light of molecular strategies employed by photosynthetic microbes to enhance the activity of the Calvin cycle. Synthetic biology is well-situated to provide original approaches for compartmentalizing and enhancing photosynthetic reactions in a species independent manner. Furthermore, the elucidation of alternative carbon-fixation routes distinct from the Calvin cycle raises possibilities that novel pathways and organisms can be utilized to fix atmospheric carbon dioxide into useful materials.

  5. Wetland (peat) Carbon Cycle

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

    Wetland (peat) Carbon Cycle Methane (CH4) is an important greenhouse gas, twenty times more potent than CO2, but atmospheric concentrations of CH4 under future climate change are uncertain. This is in part because many climate-sensitive ecosystems release both CH4 and carbon dioxide (CO2) and it is unknown how these systems will partition future releases of carbon to the atmosphere. Ecosystem observations of CH4 emissions lack mechanistic links to the processes that govern CH4 efflux: microbial

  6. EXPERIMENTAL STUDY OF CO{sub 2} FORMATION BY SURFACE REACTIONS OF NON-ENERGETIC OH RADICALS WITH CO MOLECULES

    SciTech Connect (OSTI)

    Oba, Yasuhiro; Watanabe, Naoki; Kouchi, Akira; Hama, Tetsuya; Pirronello, Valerio

    2010-04-01

    Surface reactions between carbon monoxide and non-energetic hydroxyl radicals were carried out at 10 K and 20 K in order to investigate possible reaction pathways to yield carbon dioxide in dense molecular clouds. Hydroxyl radicals, produced by dissociating water molecules in microwave-induced plasma, were cooled down to 100 K prior to the introduction of CO. The abundances of species were monitored in situ using a Fourier transform infrared spectrometer. Formation of CO{sub 2} was clearly observed, even at 10 K, suggesting that reactions of CO with OH proceed with little or no activation barrier. The present results indicate that CO{sub 2} formation, due to reactions between CO and OH, occurs in tandem with H{sub 2}O formation, and this may lead to the formation of CO{sub 2} ice in polar environments, as typically observed in molecular clouds.

  7. Soft-Template-Synthesized Mesoporous Carbon for Oral Drug Delivery

    SciTech Connect (OSTI)

    Saha, Dipendu; Warren, Kaitlyn E; Naskar, Amit K

    2014-01-01

    Template-synthesized mesoporous carbons were successfully used in in vitro investigations of controlled delivery of three model drugs, captopril, furosemide, and ranitidine hydrochloride. Captopril and furosemide exhibited desorption kinetics over 30 40 h, and ranitidine HCl had a complete release time of 5 10 h. As evident from the slow release kinetics, we contend that our mesoporous carbon is an improved drug-delivery medium compared to state-of-the-art porous silica-based substrates. The mesoporous carbons, synthesized from phloroglucinol and lignin, a synthetic and a sustainable precursor, respectively, exhibit BET surface area of 200 400 m2 g-1 and pore volume of 0.2 0.6 cm3 g-1. The phloroglucinol-based carbon has narrower pore widths and higher pore volume than the lignin-derived counterpart and maintains a longer release time. Numerical modeling of the release kinetics data reveals that the diffusivities of all the drugs from lignin-based carbon media are of equivalent magnitude (10-22 to 10-24 m2 s-1). However, a tailored reduction of pore width in the sorbent reduces the diffusivity of smaller drug molecules (captopril) by an order of magnitude. Thus, engineered pore morphology in our synthesized carbon sorbent, along with its potential to tailor the chemistry of its interaction with sorbet, can be exploited for optimal delivery system of a preferred drug within its therapeutic level and below the level of toxicity.

  8. ATK - Supersonic Carbon Capture

    SciTech Connect (OSTI)

    Castrogiovanni, Anthony; Calayag, Bon

    2014-03-05

    ATK and ACEnt Laboratories, with the help of ARPA-E funding, have taken an aerospace problem, supersonic condensation, and turned it into a viable clean energy solution for carbon capture.

  9. Activated carbon aerogels

    SciTech Connect (OSTI)

    Hanzawa, Y.; Kaneko, K. [Chiba Univ. (Japan)] [Chiba Univ. (Japan); Pekala, R.W. [Lawrence Livermore National Lab., CA (United States)] [Lawrence Livermore National Lab., CA (United States); Dresselhaus, M.S. [Massachusetts Inst. of Technology, Cambridge, MA (United States)] [Massachusetts Inst. of Technology, Cambridge, MA (United States)

    1996-12-25

    Activated carbon aerogels were obtained from the CO{sub 2} activation of the carbon aerogels. The adsorption isotherms of nitrogen on activated carbon aerogels at 77 K were measured and analyzed by the high-resolution {alpha}{sub s} plot to evaluate their porosities. The {alpha}{sub s} plot showed an upward deviation from linearity below {alpha}{sub s} = 0.5, suggesting that the presence of micropores becomes more predominant with the extent of the activation. Activation increased noticeably the pore volume and the surface area (the maximum value: 2600 m{sup 2}.g{sup -1}) without change of the basic network structure of primary particles. Activated carbon aerogels had a bimodal pore size distribution of uniform micropores and mesopores. 16 refs., 2 figs., 1 tab.

  10. ATK - Supersonic Carbon Capture

    ScienceCinema (OSTI)

    Castrogiovanni, Anthony (ACEnT Laboratories, President and CEO); Calayag, Bon (ATK, Program Manager)

    2014-04-11

    ATK and ACEnt Laboratories, with the help of ARPA-E funding, have taken an aerospace problem, supersonic condensation, and turned it into a viable clean energy solution for carbon capture.

  11. Regional Carbon Sequestration Partnerships

    Broader source: Energy.gov [DOE]

    DOE has created a network of seven Regional Carbon Sequestration Partnerships (RCSPs) to help develop the technology, infrastructure, and regulations to implement large-scale CO2 storage (also...

  12. Lead carbonate scintillator materials

    DOE Patents [OSTI]

    Derenzo, S.E.; Moses, W.W.

    1991-05-14

    Improved radiation detectors containing lead carbonate or basic lead carbonate as the scintillator element are disclosed. Both of these scintillators have been found to provide a balance of good stopping power, high light yield and short decay constant that is superior to other known scintillator materials. The radiation detectors disclosed are favorably suited for use in general purpose detection and in medical uses. 3 figures.

  13. Carbon Capture Simulation Initiative

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

    Carbon Capture Innovation: Making an IMPACCT on Coal Carbon Capture Innovation: Making an IMPACCT on Coal February 16, 2012 - 4:48pm Addthis The ICES team from Alliant Techsystems and ACENT Laboratories (L to R): Fred Gregory, Andy Robertson, Tony Castrogiovanni, Florin Girlea, Vincenzo Verrelli, Bon Calayag, Vladimir Balepin, Kirk Featherstone. | Courtesy of the ICES team. The ICES team from Alliant Techsystems and ACENT Laboratories (L to R): Fred Gregory, Andy Robertson, Tony Castrogiovanni,

  14. Carbon dioxide removal process

    DOE Patents [OSTI]

    Baker, Richard W.; Da Costa, Andre R.; Lokhandwala, Kaaeid A.

    2003-11-18

    A process and apparatus for separating carbon dioxide from gas, especially natural gas, that also contains C.sub.3+ hydrocarbons. The invention uses two or three membrane separation steps, optionally in conjunction with cooling/condensation under pressure, to yield a lighter, sweeter product natural gas stream, and/or a carbon dioxide stream of reinjection quality and/or a natural gas liquids (NGL) stream.

  15. An unusual carbon-carbon bond cleavage reaction during phosphinothricin

    Office of Scientific and Technical Information (OSTI)

    biosynthesis (Journal Article) | SciTech Connect An unusual carbon-carbon bond cleavage reaction during phosphinothricin biosynthesis Citation Details In-Document Search Title: An unusual carbon-carbon bond cleavage reaction during phosphinothricin biosynthesis Natural products containing phosphorus-carbon bonds have found widespread use in medicine and agriculture. One such compound, phosphinothricin tripeptide, contains the unusual amino acid phosphinothricin attached to two alanine

  16. Method for synthesizing carbon nanotubes

    DOE Patents [OSTI]

    Fan, Hongyou

    2012-09-04

    A method for preparing a precursor solution for synthesis of carbon nanomaterials, where a polar solvent is added to at least one block copolymer and at least one carbohydrate compound, and the precursor solution is processed using a self-assembly process and subsequent heating to form nanoporous carbon films, porous carbon nanotubes, and porous carbon nanoparticles.

  17. Biosensors Based on Carbon Nanotubes

    SciTech Connect (OSTI)

    Lin, Yuehe; Yantasee, Wassana; Lu, Fang; Wang, Joseph; Musameh, Mustafa; Tu, Yi; Ren, Zhifeng

    2009-03-24

    This chapter summarizes the recent development of carbon nanotube based electrochemical biosensors work at PNNL.

  18. Biosensors Based on Carbon Nanotubes

    SciTech Connect (OSTI)

    Lin, Yuehe; Yantasee, Wassana; Lu, Fang; Wang, Joseph; Musameh, Mustafa; Tu, Yi; Ren, Zhifeng; J. A. Schwarz, C. Contescu, K. Putyera

    2004-04-01

    This invited review article summarizes recent work on biosensor development based on carbon nanotubes

  19. Isotope separation by photodissociation of Van der Waal's molecules

    DOE Patents [OSTI]

    Lee, Yuan T.

    1977-01-01

    A method of separating isotopes based on the dissociation of a Van der Waal's complex. A beam of molecules of a Van der Waal's complex containing, as one partner of the complex, a molecular species in which an element is present in a plurality of isotopes is subjected to radiation from a source tuned to a frequency which will selectively excite vibrational motion by a vibrational transition or through electronic transition of those complexed molecules of the molecular species which contain a desired isotope. Since the Van der Waal's binding energy is much smaller than the excitational energy of vibrational motion, the thus excited Van der Waal's complex dissociate into molecular components enriched in the desired isotope. The recoil velocity associated with vibrational to translational and rotational relaxation will send the separated molecules away from the beam whereupon the product enriched in the desired isotope can be separated from the constituents of the beam.

  20. Single molecule detection using charge-coupled device array technology

    SciTech Connect (OSTI)

    Denton, M.B.

    1992-07-29

    A technique for the detection of single fluorescent chromophores in a flowing stream is under development. This capability is an integral facet of a rapid DNA sequencing scheme currently being developed by Los Alamos National Laboratory. In previous investigations, the detection sensitivity was limited by the background Raman emission from the water solvent. A detection scheme based on a novel mode of operating a Charge-Coupled Device (CCD) is being developed which should greatly enhance the discrimination between fluorescence from a single molecule and the background Raman scattering from the solvent. Register shifts between rows in the CCD are synchronized with the sample flow velocity so that fluorescence from a single molecule is collected in a single moving charge packet occupying an area approaching that of a single pixel while the background is spread evenly among a large number of pixels. Feasibility calculations indicate that single molecule detection should be achieved with an excellent signal-to-noise ratio.

  1. A general strategy to construct small molecule biosensors in eukaryotes

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Feng, Justin; Jester, Benjamin W.; Tinberg, Christine E.; Mandell, Daniel J.; Antunes, Mauricio S.; Chari, Raj; Morey, Kevin J.; Rios, Xavier; Medford, June I.; Church, George M.; et al

    2015-12-29

    Biosensors for small molecules can be used in applications that range from metabolic engineering to orthogonal control of transcription. Here, we produce biosensors based on a ligand-binding domain (LBD) by using a method that, in principle, can be applied to any target molecule. The LBD is fused to either a fluorescent protein or a transcriptional activator and is destabilized by mutation such that the fusion accumulates only in cells containing the target ligand. We illustrate the power of this method by developing biosensors for digoxin and progesterone. Addition of ligand to yeast, mammalian, or plant cells expressing a biosensor activatesmore » transcription with a dynamic range of up to ~100-fold. We use the biosensors to improve the biotransformation of pregnenolone to progesterone in yeast and to regulate CRISPR activity in mammalian cells. This work provides a general methodology to develop biosensors for a broad range of molecules in eukaryotes.« less

  2. Spectroscopy and reactions of vibrationally excited transient molecules

    SciTech Connect (OSTI)

    Dai, H.L.

    1993-12-01

    Spectroscopy, energy transfer and reactions of vibrationally excited transient molecules are studied through a combination of laser-based excitation techniques and efficient detection of emission from the energized molecules with frequency and time resolution. Specifically, a Time-resolved Fourier Transform Emission Spectroscopy technique has been developed for detecting dispersed laser-induced fluorescence in the IR, visible and UV regions. The structure and spectroscopy of the excited vibrational levels in the electronic ground state, as well as energy relaxation and reactions induced by specific vibronic excitations of a transient molecule can be characterized from time-resolved dispersed fluorescence in the visible and UV region. IR emissions from highly vibrational excited levels, on the other hand, reveal the pathways and rates of collision induced vibrational energy transfer.

  3. WESTCARB Carbon Atlas

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The West Coast Regional Carbon Sequestration Partnership (known as WESTCARB) was established in Fall 2003. It is one of seven research partnerships co-funded by DOE to characterize regional carbon sequestration opportunities and conduct pilot-scale validation tests. The California Energy Commission manages WESTCARB and is a major co-funder. WESTCARB is characterizing the extent and capacity of geologic formations capable of storing CO2, known as sinks. Results are entered into a geographic information system (GIS) database, along with the location of major CO2-emitting point sources in each of the six WESTCARB states, enabling researchers and the public to gauge the proximity of candidate CO2 storage sites to emission sources and the feasibility of linking them via pipelines. Specifically, the WESTCARB GIS database (also known as the carbon atlas) stores layers of geologic information about potential underground storage sites, such as porosity and nearby fault-lines and aquifers. Researchers use these data, along with interpreted geophysical data and available oil and gas well logs to estimate the region's potential geologic storage capacity. The database also depicts existing pipeline routes and rights-of-way and lands that could be off-limits, which can aid the development of a regional carbon management strategy. The WESTCARB Carbon Atlas, which is accessible to the public, provides a resource for public discourse on practical solutions for regional CO2 management. A key WESTCARB partner, the Utah Automated Geographic Reference Center, has developed data serving procedures to enable the WESTCARB Carbon Atlas to be integrated with those from other regional partnerships, thereby supporting the U.S. Department of Energy's national carbon atlas, NATCARB

  4. Enhancing conductivity of metallic carbon nanotube networks by transition metal adsorption

    SciTech Connect (OSTI)

    Ketolainen, T. Havu, V.; Puska, M. J.

    2015-02-07

    The conductivity of carbon nanotube thin films is mainly determined by carbon nanotube junctions, the resistance of which can be reduced by several different methods. We investigate electronic transport through carbon nanotube junctions in a four-terminal configuration, where two metallic single-wall carbon nanotubes are linked by a group 6 transition metal atom. The transport calculations are based on the Greens function method combined with the density-functional theory. The transition metal atom is found to enhance the transport through the junction near the Fermi level. However, the size of the nanotube affects the improvement in the conductivity. The enhancement is related to the hybridization of chromium and carbon atom orbitals, which is clearly reflected in the character of eigenstates near the Fermi level. The effects of chromium atoms and precursor molecules remaining adsorbed on the nanotubes outside the junctions are also examined.

  5. Measurement of carbon capture efficiency and stored carbon leakage

    DOE Patents [OSTI]

    Keeling, Ralph F.; Dubey, Manvendra K.

    2013-01-29

    Data representative of a measured carbon dioxide (CO.sub.2) concentration and of a measured oxygen (O.sub.2) concentration at a measurement location can be used to determine whether the measured carbon dioxide concentration at the measurement location is elevated relative to a baseline carbon dioxide concentration due to escape of carbon dioxide from a source associated with a carbon capture and storage process. Optionally, the data can be used to quantify a carbon dioxide concentration increase at the first location that is attributable to escape of carbon dioxide from the source and to calculate a rate of escape of carbon dioxide from the source by executing a model of gas-phase transport using at least the first carbon dioxide concentration increase. Related systems, methods, and articles of manufacture are also described.

  6. Diatomic molecules in optical and microwave dipole traps

    SciTech Connect (OSTI)

    Lysebo, Marius; Veseth, Leif

    2011-03-15

    The dipole forces on rotating diatomic molecules are worked out in detail for optical as well as microwave radiation fields. The objective is in particular to investigate how the dipole forces and potentials depend on the subtle internal structure of the molecule, with special emphasis on hyperfine and Zeeman states. Dipole potentials are obtained from computations of the real part of the complex molecular polarizability, whereas the imaginary part yields the scattering force. Numerical examples are presented for {sup 23}Na{sub 2} and OH for optical (laser) fields related to strong electronic transitions and for microwave fields for the {Lambda} doubling in the OH ground state.

  7. Spectroscopic and dynamical studies of highly energized small polyatomic molecules

    SciTech Connect (OSTI)

    Field, R.W.; Silbey, R.J.

    1990-01-01

    The formyl radical and the acetylene molecule were chosen for these studies. The visible and fluorescence spectra of the formyl radical were recorded, and the spectral results are used as a basis to explain the electronic structure. Optical-optical double resonance studies of acetylene were recorded, and the spectral results are interpreted. The results of Zeeman and Stark anticrossing and quantum beat studies of acetylene are reported, and they provide an unusually detailed view of both Intersystem Crossing and Internal Conversion in small polyatomic molecules. 22 references are cited as resulting from Department of Energy sponsorship of this project.

  8. Meet the world's highest-performance single-molecule diode

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

    Meet the world's highest-performance single-molecule diode Click to share on Facebook (Opens in new window) Click to share on Twitter (Opens in new window) Click to share on Reddit (Opens in new window) Click to share on Pinterest (Opens in new window) This is the world's highest-performance single-molecule diode using a combination of gold electrodes and an ionic solution. (Image: Latha Venkataraman, Columbia University) More » Nanotubes that Assemble Themselves Discover a new way to look at

  9. Structure factors for tunneling ionization rates of diatomic molecules

    SciTech Connect (OSTI)

    Saito, Ryoichi; Tolstikhin, Oleg I.; Madsen, Lars Bojer; Morishita, Toru

    2015-05-15

    Within the leading-order, single-active-electron, and frozen-nuclei approximation of the weak-field asymptotic theory, the rate of tunneling ionization of a molecule in an external static uniform electric field is determined by the structure factor for the highest occupied molecular orbital. We present the results of systematic calculations of structure factors for 40 homonuclear and heteronuclear diatomic molecules by the Hartree–Fock method using a numerical grid-based approach implemented in the program X2DHF.

  10. Tunneling effects in the kinetics of helium and hydrogen isotopes desorption from single-walled carbon nanotube bundles

    SciTech Connect (OSTI)

    Danilchenko, B. A. Yaskovets, I. I.; Uvarova, I. Y.; Dolbin, A. V.; Esel'son, V. B.; Basnukaeva, R. M.; Vinnikov, N. A.

    2014-04-28

    The kinetics of desorption both helium isotopes and molecules of hydrogen and deuterium from open-ended or ?-irradiated single-walled carbon nanotube bundles was investigated in temperature range of 10300?K. The gases desorption rates obey the Arrhenius law at high temperatures, deviate from it with temperature reduction and become constant at low temperatures. These results indicate the quantum nature of gas outflow from carbon nanotube bundles. We had deduced the crossover temperature below which the quantum corrections to the effective activation energy of desorption become significant. This temperature follows linear dependence against the inverse mass of gas molecule and is consistent with theoretical prediction.

  11. Chemically modified carbonic anhydrases useful in carbon capture systems

    DOE Patents [OSTI]

    Novick, Scott; Alvizo, Oscar

    2013-01-15

    The present disclosure relates to chemically modified carbonic anhydrase polypeptides and soluble compositions, homogenous liquid formulations comprising them. The chemically modified carbonic anhydrase polypeptides have improved properties relative to the same carbonic anhydrase polypeptide that is not chemically modified including the improved properties of increased activity and/or stability in the presence of amine compounds, ammonia, or carbonate ion. The present disclosure also provides methods of preparing the chemically modified polypeptides and methods of using the chemically modified polypeptides for accelerating the absorption of carbon dioxide from a gas stream into a solution as well as for the release of the absorbed carbon dioxide for further treatment and/or sequestering.

  12. Chemically modified carbonic anhydrases useful in carbon capture systems

    DOE Patents [OSTI]

    Novick, Scott J; Alvizo, Oscar

    2013-10-29

    The present disclosure relates to chemically modified carbonic anhydrase polypeptides and soluble compositions, homogenous liquid formulations comprising them. The chemically modified carbonic anhydrase polypeptides have improved properties relative to the same carbonic anhydrase polypeptide that is not chemically modified including the improved properties of increased activity and/or stability in the presence of amine compounds, ammonia, or carbonate ion. The present disclosure also provides methods of preparing the chemically modified polypeptides and methods of using the chemically modified polypeptides for accelerating the absorption of carbon dioxide from a gas stream into a solution as well as for the release of the absorbed carbon dioxide for further treatment and/or sequestering.

  13. Carbon Fuel Particles Used in Direct Carbon Conversion Fuel Cells

    DOE Patents [OSTI]

    Cooper, John F.; Cherepy, Nerine

    2008-10-21

    A system for preparing particulate carbon fuel and using the particulate carbon fuel in a fuel cell. Carbon particles are finely divided. The finely dividing carbon particles are introduced into the fuel cell. A gas containing oxygen is introduced into the fuel cell. The finely divided carbon particles are exposed to carbonate salts, or to molten NaOH or KOH or LiOH or mixtures of NaOH or KOH or LiOH, or to mixed hydroxides, or to alkali and alkaline earth nitrates.

  14. Carbon fuel particles used in direct carbon conversion fuel cells

    DOE Patents [OSTI]

    Cooper, John F.; Cherepy, Nerine

    2012-10-09

    A system for preparing particulate carbon fuel and using the particulate carbon fuel in a fuel cell. Carbon particles are finely divided. The finely dividing carbon particles are introduced into the fuel cell. A gas containing oxygen is introduced into the fuel cell. The finely divided carbon particles are exposed to carbonate salts, or to molten NaOH or KOH or LiOH or mixtures of NaOH or KOH or LiOH, or to mixed hydroxides, or to alkali and alkaline earth nitrates.

  15. Carbon fuel particles used in direct carbon conversion fuel cells

    DOE Patents [OSTI]

    Cooper, John F.; Cherepy, Nerine

    2012-01-24

    A system for preparing particulate carbon fuel and using the particulate carbon fuel in a fuel cell. Carbon particles are finely divided. The finely dividing carbon particles are introduced into the fuel cell. A gas containing oxygen is introduced into the fuel cell. The finely divided carbon particles are exposed to carbonate salts, or to molten NaOH or KOH or LiOH or mixtures of NaOH or KOH or LiOH, or to mixed hydroxides, or to alkali and alkaline earth nitrates.

  16. Carbon fuel particles used in direct carbon conversion fuel cells

    DOE Patents [OSTI]

    Cooper, John F.; Cherepy, Nerine

    2011-08-16

    A system for preparing particulate carbon fuel and using the particulate carbon fuel in a fuel cell. Carbon particles are finely divided. The finely dividing carbon particles are introduced into the fuel cell. A gas containing oxygen is introduced into the fuel cell. The finely divided carbon particles are exposed to carbonate salts, or to molten NaOH or KOH or LiOH or mixtures of NaOH or KOH or LiOH, or to mixed hydroxides, or to alkali and alkaline earth nitrates.

  17. Carbon-particle generator

    DOE Patents [OSTI]

    Hunt, A.J.

    1982-09-29

    A method and apparatus whereby small carbon particles are made by pyrolysis of a mixture of acetylene carried in argon. The mixture is injected through a nozzle into a heated tube. A small amount of air is added to the mixture. In order to prevent carbon build-up at the nozzle, the nozzle tip is externally cooled. The tube is also elongated sufficiently to assure efficient pyrolysis at the desired flow rates. A key feature of the method is that the acetylene and argon, for example, are premixed in a dilute ratio, and such mixture is injected while cool to minimize the agglomeration of the particles, which produces carbon particles with desired optical properties for use as a solar radiant heat absorber.

  18. HOLLOW CARBON ARC DISCHARGE

    DOE Patents [OSTI]

    Luce, J.S.

    1960-10-11

    A device is described for producing an energetic, direct current, hollow, carbon-arc discharge in an evacuated container and within a strong magnetic field. Such discharges are particularly useful not only in dissociation and ionization of high energy molecular ion beams, but also in acting as a shield or barrier against the instreaming of lowenergy neutral particles into a plasma formed within the hollow discharge when it is used as a dissociating mechanism for forming the plasma. There is maintained a predetermined ratio of gas particles to carbon particles released from the arc electrodes during operation of the discharge. The carbon particles absorb some of the gas particles and are pumped along and by the discharge out of the device, with the result that smaller diffusion pumps are required than would otherwise be necessary to dispose of the excess gas.

  19. Analyte sensing mediated by adapter/carrier molecules

    DOE Patents [OSTI]

    Bayley, Hagan; Braha, Orit; Gu, LiQun

    2002-07-30

    This invention relates to an improved method and system for sensing of one or more analytes. A host molecule, which serves as an adapter/carrier, is used to facilitate interaction between the analyte and the sensor element. A detectable signal is produced reflecting the identity and concentration of analyte present.

  20. Translation and integration of numerical atomic orbitals in linear molecules

    SciTech Connect (OSTI)

    Heinsmki, Sami

    2014-02-14

    We present algorithms for translation and integration of atomic orbitals for LCAO calculations in linear molecules. The method applies to arbitrary radial functions given on a numerical mesh. The algorithms are based on pseudospectral differentiation matrices in two dimensions and the corresponding two-dimensional Gaussian quadratures. As a result, multicenter overlap and Coulomb integrals can be evaluated effectively.

  1. Small-Molecule Inhibition of TNF-alpha

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

    Farrington, G., Eldredge, J.K., Day, E.S., Cruz, L.A., Cachero, T.G., Miller, S.K., Friedman, J.E., Choong, I.C., Cunningham, B.C. Small-molecule inhibition of TNF-alpha. Science...

  2. Single Molecule Study of Cellulase Hydrolysis of Crystalline Cellulose

    SciTech Connect (OSTI)

    Liu, Y.-S.; Luo, Y.; Baker, J. O.; Zeng, Y.; Himmel, M. E.; Smith, S.; Ding, S.-Y.

    2009-12-01

    This report seeks to elucidate the role of cellobiohydrolase-I (CBH I) in the hydrolysis of crystalline cellulose. A single-molecule approach uses various imaging techniques to investigate the surface structure of crystalline cellulose and changes made in the structure by CBH I.

  3. Vibrational quasi-degenerate perturbation theory with optimized coordinates: Applications to ethylene and trans-1,3-butadiene

    SciTech Connect (OSTI)

    Yagi, Kiyoshi Otaki, Hiroki

    2014-02-28

    A perturbative extension to optimized coordinate vibrational self-consistent field (oc-VSCF) is proposed based on the quasi-degenerate perturbation theory (QDPT). A scheme to construct the degenerate space (P space) is developed, which incorporates degenerate configurations and alleviates the divergence of perturbative expansion due to localized coordinates in oc-VSCF (e.g., local O–H stretching modes of water). An efficient configuration selection scheme is also implemented, which screens out the Hamiltonian matrix element between the P space configuration (p) and the complementary Q space configuration (q) based on a difference in their quantum numbers (λ{sub pq} = ∑{sub s}|p{sub s} − q{sub s}|). It is demonstrated that the second-order vibrational QDPT based on optimized coordinates (oc-VQDPT2) smoothly converges with respect to the order of the mode coupling, and outperforms the conventional one based on normal coordinates. Furthermore, an improved, fast algorithm is developed for optimizing the coordinates. First, the minimization of the VSCF energy is conducted in a restricted parameter space, in which only a portion of pairs of coordinates is selectively transformed. A rational index is devised for this purpose, which identifies the important coordinate pairs to mix from others that may remain unchanged based on the magnitude of harmonic coupling induced by the transformation. Second, a cubic force field (CFF) is employed in place of a quartic force field, which bypasses intensive procedures that arise due to the presence of the fourth-order force constants. It is found that oc-VSCF based on CFF together with the pair selection scheme yields the coordinates similar in character to the conventional ones such that the final vibrational energy is affected very little while gaining an order of magnitude acceleration. The proposed method is applied to ethylene and trans-1,3-butadiene. An accurate, multi-resolution potential, which combines the MP2 and coupled-cluster with singles, doubles, and perturbative triples level of electronic structure theory, is generated and employed in the oc-VQDPT2 calculation to obtain the fundamental tones as well as selected overtones/combination tones coupled to the fundamentals through the Fermi resonance. The calculated frequencies of ethylene and trans-1,3-butadiene are found to be in excellent agreement with the experimental values with a mean absolute error of 8 and 9 cm{sup −1}, respectively.

  4. Carbon Capture and Storage

    SciTech Connect (OSTI)

    Friedmann, S

    2007-10-03

    Carbon capture and sequestration (CCS) is the long-term isolation of carbon dioxide from the atmosphere through physical, chemical, biological, or engineered processes. This includes a range of approaches including soil carbon sequestration (e.g., through no-till farming), terrestrial biomass sequestration (e.g., through planting forests), direct ocean injection of CO{sub 2} either onto the deep seafloor or into the intermediate depths, injection into deep geological formations, or even direct conversion of CO{sub 2} to carbonate minerals. Some of these approaches are considered geoengineering (see the appropriate chapter herein). All are considered in the 2005 special report by the Intergovernmental Panel on Climate Change (IPCC 2005). Of the range of options available, geological carbon sequestration (GCS) appears to be the most actionable and economic option for major greenhouse gas reduction in the next 10-30 years. The basis for this interest includes several factors: (1) The potential capacities are large based on initial estimates. Formal estimates for global storage potential vary substantially, but are likely to be between 800 and 3300 Gt of C (3000 and 10,000 Gt of CO{sub 2}), with significant capacity located reasonably near large point sources of the CO{sub 2}. (2) GCS can begin operations with demonstrated technology. Carbon dioxide has been separated from large point sources for nearly 100 years, and has been injected underground for over 30 years (below). (3) Testing of GCS at intermediate scale is feasible. In the US, Canada, and many industrial countries, large CO{sub 2} sources like power plants and refineries lie near prospective storage sites. These plants could be retrofit today and injection begun (while bearing in mind scientific uncertainties and unknowns). Indeed, some have, and three projects described here provide a great deal of information on the operational needs and field implementation of CCS. Part of this interest comes from several key documents written in the last three years that provide information on the status, economics, technology, and impact of CCS. These are cited throughout this text and identified as key references at the end of this manuscript. When coupled with improvements in energy efficiency, renewable energy supplies, and nuclear power, CCS help dramatically reduce current and future emissions (US CCTP 2005, MIT 2007). If CCS is not available as a carbon management option, it will be much more difficult and much more expensive to stabilize atmospheric CO{sub 2} emissions. Recent estimates put the cost of carbon abatement without CCS to be 30-80% higher that if CCS were to be available (Edmonds et al. 2004).

  5. Formation of rare earth carbonates using supercritical carbon dioxide

    DOE Patents [OSTI]

    Fernando, Quintus; Yanagihara, Naohisa; Dyke, James T.; Vemulapalli, Krishna

    1991-09-03

    The invention relates to a process for the rapid, high yield conversion of select rare earth oxides or hydroxides, to their corresponding carbonates by contact with supercritical carbon dioxide.

  6. Activated Carbon Composites for Air Separation

    SciTech Connect (OSTI)

    Baker, Frederick S; Contescu, Cristian I; Tsouris, Costas; Burchell, Timothy D

    2011-09-01

    Coal-derived synthesis gas is a potential major source of hydrogen for fuel cells. Oxygen-blown coal gasification is an efficient approach to achieving the goal of producing hydrogen from coal, but a cost-effective means of enriching O2 concentration in air is required. A key objective of this project is to assess the utility of a system that exploits porous carbon materials and electrical swing adsorption to produce an O2-enriched air stream for coal gasification. As a complement to O2 and N2 adsorption measurements, CO2 was used as a more sensitive probe molecule for the characterization of molecular sieving effects. To further enhance the potential of activated carbon composite materials for air separation, work was implemented on incorporating a novel twist into the system; namely the addition of a magnetic field to influence O2 adsorption, which is accompanied by a transition between the paramagnetic and diamagnetic states. The preliminary findings in this respect are discussed.

  7. CarbonMicro | Open Energy Information

    Open Energy Info (EERE)

    Place: Irvine, California Zip: CA 92618 Sector: Carbon Product: Carbon Micro Battery Corporation has a unique technology of creating micro and nanoscale carbon...

  8. Carbon Micro Battery LLC | Open Energy Information

    Open Energy Info (EERE)

    Micro Battery LLC Jump to: navigation, search Name: Carbon Micro Battery, LLC Place: California Sector: Carbon Product: Carbon Micro Battery, LLC, technology developer of micro and...

  9. Carbon Solutions Group | Open Energy Information

    Open Energy Info (EERE)

    Solutions Group Jump to: navigation, search Name: Carbon Solutions Group Place: Chicago, Illinois Zip: 60601 Sector: Carbon Product: Carbon Solutions Group collaborates with...

  10. Participatory Carbon Monitoring: Operational Guidance for National...

    Open Energy Info (EERE)

    Participatory Carbon Monitoring: Operational Guidance for National REDD+ Carbon Accounting Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Participatory Carbon...

  11. Arreon Carbon Ltd | Open Energy Information

    Open Energy Info (EERE)

    Arreon Carbon Ltd Jump to: navigation, search Name: Arreon Carbon Ltd Place: Beijing, Beijing Municipality, China Zip: 100022 Sector: Carbon Product: Beijing-based firm that...

  12. GS Carbon Corporation | Open Energy Information

    Open Energy Info (EERE)

    Carbon Corporation Jump to: navigation, search Name: GS Carbon Corporation Place: New York, New York Zip: 10119 Sector: Carbon Product: The company offsets emissions output with...

  13. Carbon Market Brasil Consulting | Open Energy Information

    Open Energy Info (EERE)

    Market Brasil Consulting Jump to: navigation, search Name: Carbon Market Brasil Consulting Place: Sao Paulo, Brazil Zip: 04120-070 Sector: Carbon Product: Brazil-based carbon...

  14. Universal Carbon Credits Limited | Open Energy Information

    Open Energy Info (EERE)

    Universal Carbon Credits Limited Jump to: navigation, search Name: Universal Carbon Credits Limited Place: London, England, United Kingdom Zip: EC3A6DF Sector: Carbon Product:...

  15. Carbon Trust Enterprises Limited | Open Energy Information

    Open Energy Info (EERE)

    Enterprises Limited Jump to: navigation, search Name: Carbon Trust Enterprises Limited Place: London, United Kingdom Zip: WC2A 2AZ Sector: Carbon Product: Carbon Trust Enterprises...

  16. Equinox Carbon Equities LLC | Open Energy Information

    Open Energy Info (EERE)

    Equinox Carbon Equities LLC Jump to: navigation, search Name: Equinox Carbon Equities, LLC Place: Newport Beach, California Zip: 92660 Sector: Carbon Product: Investment firm...

  17. The Social Carbon Company | Open Energy Information

    Open Energy Info (EERE)

    Social Carbon Company Jump to: navigation, search Name: The Social Carbon Company Place: Brasilia, Distrito Federal (Brasilia), Brazil Zip: CEP 70610-440 Sector: Carbon, Services...

  18. Carbon Credit Capital | Open Energy Information

    Open Energy Info (EERE)

    Capital Jump to: navigation, search Name: Carbon Credit Capital Place: New York, New York Zip: 10012 Sector: Carbon, Services Product: Project Advisory Services and Carbon...

  19. The Global Carbon Bank | Open Energy Information

    Open Energy Info (EERE)

    Global Carbon Bank Jump to: navigation, search Name: The Global Carbon Bank Place: Houston, Texas Zip: 77025 Sector: Carbon, Services Product: Houston-based provider of advisory...

  20. Method for production of carbon nanofiber mat or carbon paper

    DOE Patents [OSTI]

    Naskar, Amit K.

    2015-08-04

    Method for the preparation of a non-woven mat or paper made of carbon fibers, the method comprising carbonizing a non-woven mat or paper preform (precursor) comprised of a plurality of bonded sulfonated polyolefin fibers to produce said non-woven mat or paper made of carbon fibers. The preforms and resulting non-woven mat or paper made of carbon fiber, as well as articles and devices containing them, and methods for their use, are also described.

  1. Dendrimer Templated Synthesis of One Nanometer Rh and Pt Particles Supported on Mesoporous Silica: Catalytic Activity for Ethylene and Pyrrole Hydrogenation.

    SciTech Connect (OSTI)

    Huang, Wenyu; Kuhn, John N.; Tsung, Chia-Kuang; Zhang, Yawen; Habas, Susan E.; Yang, Peidong; Somorjai, Gabor A.

    2008-05-09

    Monodisperse rhodium (Rh) and platinum (Pt) nanoparticles as small as {approx}1 nm were synthesized within a fourth generation polyaminoamide (PAMAM) dendrimer, a hyperbranched polymer, in aqueous solution and immobilized by depositing onto a high-surface-area SBA-15 mesoporous support. X-ray photoelectron spectroscopy indicated that the as-synthesized Rh and Pt nanoparticles were mostly oxidized. Catalytic activity of the SBA-15 supported Rh and Pt nanoparticles was studied with ethylene hydrogenation at 273 and 293 K in 10 torr of ethylene and 100 torr of H{sub 2} after reduction (76 torr of H{sub 2} mixed with 690 torr of He) at different temperatures. Catalysts were active without removing the dendrimer capping but reached their highest activity after hydrogen reduction at a moderate temperature (423 K). When treated at a higher temperature (473, 573, and 673 K) in hydrogen, catalytic activity decreased. By using the same treatment that led to maximum ethylene hydrogenation activity, catalytic activity was also evaluated for pyrrole hydrogenation.

  2. An experimental investigation of ethylene/O{sub 2}/diluent mixtures: Laminar flame speeds with preheat and ignition delays at high pressures

    SciTech Connect (OSTI)

    Kumar, Kamal; Mittal, Gaurav; Sung, Chih-Jen [Department of Mechanical and Aerospace Engineering, Case Western Reserve University, Cleveland, OH 44106 (United States); Law, Chung K. [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544 (United States)

    2008-05-15

    The atmospheric pressure laminar flame speeds of premixed ethylene/O{sub 2}/N{sub 2} mixtures were experimentally measured over equivalence ratios ranging from 0.5 to 1.4 and mixture preheat temperatures varying from 298 to 470 K in a counterflow configuration. Ignition delay measurements were also conducted for ethylene/O{sub 2}/N{sub 2}/Ar mixtures using a rapid compression machine at compressed pressures from 15 to 50 bar and in the compressed temperature range from 850 to 1050 K. The experimental laminar flame speeds and ignition delays were then compared to the computed values using two existing chemical kinetic mechanisms. Results show that while the laminar flame speeds are reasonably predicted at room temperature conditions, the discrepancy becomes larger with increasing preheat temperature. A comparison of experimental and computational ignition delay times was also conducted and discussed. Sensitivity analysis further shows that the ignition delay is highly sensitive to the reactions of the vinyl radical with molecular oxygen. The reaction of ethylene with the HO{sub 2} radical was also found to be important for autoignition under the current experimental conditions. (author)

  3. Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition

    SciTech Connect (OSTI)

    Holzapfel, Genevieve; Buhrman, Greg; Mattos, Carla

    2012-08-31

    Ras GTPase cycles between its active GTP-bound form promoted by GEFs and its inactive GDP-bound form promoted by GAPs to affect the control of various cellular functions. It is becoming increasingly apparent that subtle regulation of the GTP-bound active state may occur through promotion of substates mediated by an allosteric switch mechanism that induces a disorder to order transition in switch II upon ligand binding at an allosteric site. We show with high-resolution structures that calcium acetate and either dithioerythritol (DTE) or dithiothreitol (DTT) soaked into H-Ras-GppNHp crystals in the presence of a moderate amount of poly(ethylene glycol) (PEG) can selectively shift the equilibrium to the 'on' state, where the active site appears to be poised for catalysis (calcium acetate), or to what we call the 'ordered off' state, which is associated with an anticatalytic conformation (DTE or DTT). We also show that the equilibrium is reversible in our crystals and dependent on the nature of the small molecule present. Calcium acetate binding in the allosteric site stabilizes the conformation observed in the H-Ras-GppNHp/NOR1A complex, and PEG, DTE, and DTT stabilize the anticatalytic conformation observed in the complex between the Ras homologue Ran and Importin-{beta}. The small molecules are therefore selecting biologically relevant conformations in the crystal that are sampled by the disordered switch II in the uncomplexed GTP-bound form of H-Ras. In the presence of a large amount of PEG, the ordered off conformation predominates, whereas in solution, in the absence of PEG, switch regions appear to remain disordered in what we call the off state, unable to bind DTE.

  4. Sensitive magnetic force detection with a carbon nanotube resonator

    SciTech Connect (OSTI)

    Willick, Kyle; Haapamaki, Chris; Baugh, Jonathan

    2014-03-21

    We propose a technique for sensitive magnetic point force detection using a suspended carbon nanotube (CNT) mechanical resonator combined with a magnetic field gradient generated by a ferromagnetic gate electrode. Numerical calculations of the mechanical resonance frequency show that single Bohr magneton changes in the magnetic state of an individual magnetic molecule grafted to the CNT can translate to detectable frequency shifts, on the order of a few kHz. The dependences of the resonator response to device parameters such as length, tension, CNT diameter, and gate voltage are explored and optimal operating conditions are identified. A signal-to-noise analysis shows that, in principle, magnetic switching at the level of a single Bohr magneton can be read out in a single shot on timescales as short as 10??s. This force sensor should enable new studies of spin dynamics in isolated single molecule magnets, free from the crystalline or ensemble settings typically studied.

  5. Chemical Sputtering of Fusion Plasma-Facing Carbon Surfaces

    SciTech Connect (OSTI)

    Krstic, Predrag; Stuart, Steven J.; Reinhold, Carlos O.

    2006-12-01

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. We perform molecular dynamics simulations of the chemical sputtering of deuterated amorphous carbon surfaces irradiated by low energy deuterium atoms and molecules ( ? 30 eV/D). Particular attention was paid to the proper preparation of the surfaces, as well as to the internal (rovibrational) state of impinging molecules. Sputtered hydrocarbons are analyzed with respect to their mass, kinetic energy and angular distribution. The sputtering yields are in good agreement with recent experimental results.

  6. Carbon cloth supported electrode

    DOE Patents [OSTI]

    Lu, Wen-Tong P. (Upper St. Clair, PA); Ammon, Robert L. (Baldwin both of, PA)

    1982-01-01

    A flow-by anode is disclosed made by preparing a liquid suspension of about to about 18% by weight solids, the solids comprising about 3.5 to about 8% of a powdered catalyst of platinum, palladium, palladium oxide, or mixtures thereof; about 60 to about 76% carbon powder (support) having a particle size less than about 20 m.mu.m and about 20 to about 33% of an inert binder having a particle size of less than about 500 m.mu.m. A sufficient amount of the suspension is poured over a carbon cloth to form a layer of solids about 0.01 to about 0.05 cm thick on the carbon cloth when the electrode is completed. A vacuum was applied to the opposite side of the carbon cloth to remove the liquid and the catalyst layer/cloth assembly is dried and compressed at about 10 to about 50 MPa's. The binder is then sintered in an inert atmosphere to complete the electrode. The electrode is used for the oxidation of sulfur dioxide in a sulfur based hybrid cycle for the decomposition of water.

  7. Carbon Footprint Calculator

    Broader source: Energy.gov [DOE]

    This calculator estimates the amount of carbon emissions you and members of your household are responsible for. It does not include emissions associated with your work or getting to work if you commute by public transportation. It was developed by IEEE Spectrum magazine.

  8. Carbon smackdown: wind warriors

    ScienceCinema (OSTI)

    Glen Dahlbacka of the Accelerator & Fusion Research Division and Ryan Wiser of the Environmental Energy Technologies Division are the speakers.

    2010-09-01

    July 16. 2010 carbon smackdown summer lecture: learn how Berkeley Lab scientists are developing wind turbines to be used in an urban setting, as well as analyzing what it will take to increase the adoption of wind energy in the U.S.

  9. Sub-10 nm Platinum Nanocrystals with Size and Shape Control: Catalytic Study for Ethylene and Pyrrole Hydrogenation

    SciTech Connect (OSTI)

    Tsung, Chia-Kuang; Kuhn, John N.; Huang, Wenyu; Aliaga, Cesar; Hung, Ling-I; Somorjai, Gabor A.; Yang, Peidong

    2009-03-02

    Platinum nanocubes and nanopolyhedra with tunable size from 5 to 9 nm were synthesized by controlling the reducing rate of metal precursor ions in a one-pot polyol synthesis. A two-stage process is proposed for the simultaneous control of size and shape. In the first stage, the oxidation state of the metal ion precursors determined the nucleation rate and consequently the number of nuclei. The reaction temperature controlled the shape in the second stage by regulation of the growth kinetics. These well-defined nanocrystals were loaded into MCF-17 mesoporous silica for examination of catalytic properties. Pt loadings and dispersions of the supported catalysts were determined by elemental analysis (ICP-MS) and H2 chemisorption isotherms, respectively. Ethylene hydrogenation rates over the Pt nanocrystals were independent of both size and shape and comparable to Pt single crystals. For pyrrole hydrogenation, the nanocubes enhanced ring-opening ability and thus showed a higher selectivity to n-butylamine as compared to nanopolyhedra.

  10. Electrochemical Investigation of Li–Al Anodes in Oligo(ethylene glycol) Dimethyl Ether/LiPF6

    SciTech Connect (OSTI)

    Zhou, Y.N.; Yang, X.; Wang, X.J.; Lee, H.S.; Nam, K.W.; Haas, O.

    2010-11-01

    1 M LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight 500 g mol{sup -1} was investigated as a new electrolyte (OEGDME500, 1 M LiPF{sub 6}) for metal deposition and battery applications. At 25 C a conductivity of 0.48 x 10{sup -3} S cm{sup -1} was obtained and at 85 C, 3.78 x 10{sup -3} S cm{sup -1}. The apparent activation barrier for ionic transport was evaluated to be 30.7 kJ mol{sup -1}. OEGDME500, 1 M LiPF{sub 6} allows operating temperature above 100 C with very attractive conductivity. The electrolyte shows excellent performance at negative and positive potentials. With this investigation, we report experimental results obtained with aluminum electrodes using this electrolyte. At low current densities lithium ion reduction and re-oxidation can be achieved on aluminum electrodes at potentials about 280 mV more positive than on lithium electrodes. In situ X-ray diffraction measurements collected during electrochemical lithium deposition on aluminum electrodes show that the shift to positive potentials is due to the negative Gibbs free energy change of the Li-Al alloy formation reaction.

  11. Electrochemical Investigation of Li-Al Anodes in Oligo (ethylene glycol) Dimethyl ether/LiPF6

    SciTech Connect (OSTI)

    Y Zhou; X Wang; H Lee; K Nam; X Yang; O Haas

    2011-12-31

    LiPF{sub 6} dissolved in oligo(ethylene glycol) dimethyl ether with a molecular weight 5 g mol{sup -1} was investigated as a new electrolyte (OEGDME5, 1 M LiPF{sub 6}) for metal deposition and battery applications. At 25 C a conductivity of .48 x 1{sup -3} S cm{sup -1} was obtained and at 85 C, 3.78 x 1{sup -3} S cm{sup -1}. The apparent activation barrier for ionic transport was evaluated to be 3.7 kJ mol{sup -1}. OEGDME5, 1 M LiPF{sub 6} allows operating temperature above 1 C with very attractive conductivity. The electrolyte shows excellent performance at negative and positive potentials. With this investigation, we report experimental results obtained with aluminum electrodes using this electrolyte. At low current densities lithium ion reduction and re-oxidation can be achieved on aluminum electrodes at potentials about 28 mV more positive than on lithium electrodes. In situ X-ray diffraction measurements collected during electrochemical lithium deposition on aluminum electrodes show that the shift to positive potentials is due to the negative Gibbs free energy change of the Li-Al alloy formation reaction.

  12. Jumpstarting commercial-scale CO2 capture and storage with ethylene production and enhanced oil recovery in the US Gulf

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Middleton, Richard S.; Levine, Jonathan S.; Bielicki, Jeffrey M.; Viswanathan, Hari S.; Carey, J. William; Stauffer, Philip H.

    2015-04-27

    CO2 capture, utilization, and storage (CCUS) technology has yet to be widely deployed at a commercial scale despite multiple high-profile demonstration projects. We suggest that developing a large-scale, visible, and financially viable CCUS network could potentially overcome many barriers to deployment and jumpstart commercial-scale CCUS. To date, substantial effort has focused on technology development to reduce the costs of CO2 capture from coal-fired power plants. Here, we propose that near-term investment could focus on implementing CO2 capture on facilities that produce high-value chemicals/products. These facilities can absorb the expected impact of the marginal increase in the cost of production onmore » the price of their product, due to the addition of CO2 capture, more than coal-fired power plants. A financially viable demonstration of a large-scale CCUS network requires offsetting the costs of CO2 capture by using the CO2 as an input to the production of market-viable products. As a result, we demonstrate this alternative development path with the example of an integrated CCUS system where CO2 is captured from ethylene producers and used for enhanced oil recovery in the U.S. Gulf Coast region.« less

  13. Autoignited laminar lifted flames of methane, ethylene, ethane, and n-butane jets in coflow air with elevated temperature

    SciTech Connect (OSTI)

    Choi, B.C.; Chung, S.H.

    2010-12-15

    The autoignition characteristics of laminar lifted flames of methane, ethylene, ethane, and n-butane fuels have been investigated experimentally in coflow air with elevated temperature over 800 K. The lifted flames were categorized into three regimes depending on the initial temperature and fuel mole fraction: (1) non-autoignited lifted flame, (2) autoignited lifted flame with tribrachial (or triple) edge, and (3) autoignited lifted flame with mild combustion. For the non-autoignited lifted flames at relatively low temperature, the existence of lifted flame depended on the Schmidt number of fuel, such that only the fuels with Sc > 1 exhibited stationary lifted flames. The balance mechanism between the propagation speed of tribrachial flame and local flow velocity stabilized the lifted flames. At relatively high initial temperatures, either autoignited lifted flames having tribrachial edge or autoignited lifted flames with mild combustion existed regardless of the Schmidt number of fuel. The adiabatic ignition delay time played a crucial role for the stabilization of autoignited flames. Especially, heat loss during the ignition process should be accounted for, such that the characteristic convection time, defined by the autoignition height divided by jet velocity was correlated well with the square of the adiabatic ignition delay time for the critical autoignition conditions. The liftoff height was also correlated well with the square of the adiabatic ignition delay time. (author)

  14. Synthesis of silica coated zinc oxidepoly(ethylene-co-acrylic acid) matrix and its UV shielding evaluation

    SciTech Connect (OSTI)

    Ramasamy, Mohankandhasamy; Kim, Yu Jun; Gao, Haiyan; Yi, Dong Kee; An, Jeong Ho

    2014-03-01

    Graphical abstract: - Highlights: Well layer thickness controlled silica shell was made on ZnO nanoparticles. PEAA, an interfacial agent is used to make nanocompositepolymer matrix by twin-screw extruder. Si-ZnO/PEAA matrix is highly stable and UV protective as compared to ZnO/PEAA matrix. Nanoparticle embedded polymer matrix is suggested to make UV shielding fabrics with Nylon4. - Abstract: Silica coated zinc oxide nanoparticles (Si-ZnO NPs) (7 nm thick) were synthesized successfully and melt blended with poly(ethylene-co-acrylic acid) (PEAA resin) to improving ultraviolet (UV) shielding of zinc oxide nanoparticles (ZnO NPs). The photostability of both the ZnO NPs and Si-ZnO NPs were analyzed by the difference in photoluminescence (PL) and by methylene blue (MB) degradation. Photo-degradation studies confirmed that Si-ZnO NPs are highly photostable compared to ZnO NPs. The melt blended matrices were characterized by field emission scanning electron microscopy interfaced with energy dispersive X-ray spectroscopy (FE-SEM-EDX). The UV shielding property was analyzed from the transmittance spectra of UVvisible (UVvis) spectroscopy. The results confirmed fine dispersion of thick Si-ZnO NPs in the entire resin matrix. Moreover, the Si-ZnO/PEAA showed about 97% UV shielding properties than the ZnO/PEAA.

  15. Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide)-based lithium polyether-ester-sulfonate ionomers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Roach, David J.; Dou, Shichen; Colby, Ralph H.; Mueller, Karl T.

    2012-01-06

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies formore » motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.« less

  16. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure...

  17. Carbon Trust | Open Energy Information

    Open Energy Info (EERE)

    Trust Jump to: navigation, search Name: Carbon Trust Place: London, Greater London, United Kingdom Zip: EC4A 3BF Sector: Carbon Product: London-based independent company funded by...

  18. Sustainable Carbon | Open Energy Information

    Open Energy Info (EERE)

    Carbon Jump to: navigation, search Name: Sustainable Carbon Place: Sao Paulo, Sao Paulo, Brazil Zip: 04 038 032 Product: Sao Paulo-based joint-venture with CantorCO2e Brazil. The...

  19. Carbon Clear | Open Energy Information

    Open Energy Info (EERE)

    Clear Jump to: navigation, search Name: Carbon Clear Place: United Kingdom Product: UK-based voluntary offset provider. References: Carbon Clear1 This article is a stub. You can...

  20. Boron nitride converted carbon fiber

    DOE Patents [OSTI]

    Rousseas, Michael; Mickelson, William; Zettl, Alexander K.

    2016-04-05

    This disclosure provides systems, methods, and apparatus related to boron nitride converted carbon fiber. In one aspect, a method may include the operations of providing boron oxide and carbon fiber, heating the boron oxide to melt the boron oxide and heating the carbon fiber, mixing a nitrogen-containing gas with boron oxide vapor from molten boron oxide, and converting at least a portion of the carbon fiber to boron nitride.

  1. First Proof of Ferromagnetic Carbon

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

    First Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam and an advanced x-ray microscope at the Advanced Light Source, a multinational team of researchers from the SSRL, the University of Leipzig, and the ALS finally put to rest doubts about the existence of magnetic carbon.

  2. First Proof of Ferromagnetic Carbon

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

    Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam and an advanced x-ray microscope at the Advanced Light Source, a multinational team of researchers from the SSRL, the University of Leipzig, and the ALS finally put to rest doubts about the existence of magnetic carbon.

  3. Carbon nanotube array based sensor

    DOE Patents [OSTI]

    Lee, Christopher L.; Noy, Aleksandr; Swierkowski, Stephan P.; Fisher, Karl A.; Woods, Bruce W.

    2005-09-20

    A sensor system comprising a first electrode with an array of carbon nanotubes and a second electrode. The first electrode with an array of carbon nanotubes and the second electrode are positioned to produce an air gap between the first electrode with an array of carbon nanotubes and the second electrode. A measuring device is provided for sensing changes in electrical capacitance between the first electrode with an array of carbon nanotubes and the second electrode.

  4. Soil metagenomics and carbon cycling

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

    Soil metagenomics and carbon cycling Soil metagenomics and carbon cycling Establishing a foundational understanding of the microbial and ecosystem factors that control carbon cycling to improve climate modeling and carbon management. Get Expertise Principle Investigator Cheryl Kuske Bioscience Division 505 665 4800 Email Get Expertise John Dunbar Bioscience Division Email Get Expertise Chris Yeager Bioscience Division Email Get Expertise Jean Challacombe Bioscience Division Email This

  5. First Proof of Ferromagnetic Carbon

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

    Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam and an advanced x-ray microscope at the Advanced Light Source, a multinational team of researchers from the SSRL, the University of Leipzig, and the ALS finally put to rest doubts about the existence of magnetic carbon.

  6. First Proof of Ferromagnetic Carbon

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

    First Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam and an advanced x-ray microscope at the Advanced Light Source, a multinational team of researchers from the SSRL, the University of Leipzig, and the ALS finally put to rest doubts about the existence of magnetic carbon.

  7. First Proof of Ferromagnetic Carbon

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

    Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam and an advanced x-ray microscope at the Advanced Light Source, a multinational team of researchers from the SSRL, the University of Leipzig, and the ALS finally put to rest doubts about the existence of magnetic carbon.

  8. First Proof of Ferromagnetic Carbon

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

    Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam and an advanced x-ray microscope at the Advanced Light Source, a multinational team of researchers from the SSRL, the University of Leipzig, and the ALS finally put to rest doubts about the existence of magnetic carbon.

  9. First Proof of Ferromagnetic Carbon

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

    Proof of Ferromagnetic Carbon First Proof of Ferromagnetic Carbon Print Wednesday, 25 July 2007 00:00 Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam and an advanced x-ray microscope at the Advanced Light Source, a multinational team of researchers from the SSRL, the University of Leipzig, and the ALS

  10. Diffusional Motion of Redox Centers in Carbonate Electrolytes

    SciTech Connect (OSTI)

    Han, Kee Sung; Rajput, Nav Nidhi; Wei, Xiaoliang; Wang, Wei; Hu, Jian Z.; Persson, Kristin A.; Mueller, Karl T.

    2014-09-14

    Ferrocene (Fc) and N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistrifluoromethyl-sulfonimide (Fc1N112-TFSI) were dissolved in carbonate solvents and self diffusion coefficents (D) of solutes and solvents were measured by 1H and 19F pulsed field gradient (PFG) nuclear magnetic resonance (NMR) spectroscopy. The organic solvents were propylene carbonate (PC), ethyl methyl carbonate (EMC) and a ternary mixture that also includes ethylene carbonate (EC). Results from NMR studies over the temperature range of 0-50 C and for various concentrations (0.25 - 1.7 M) of Fc1N112-TFSI are compared to values of D simulated with classical molecular dynamics (MD). The measured self-diffusion coefficients gradually decreased as the Fc1N112-TFSI concentration increased in all solvents. Since the peaks for the two ions (Fc1N212 and TFSI) are separated in one-dimensional NMR spectra, separate diffusion coefficients could be measured and DTFSI is larger than DFc1N112 in all samples measured. The EC, PC and EMC have the same D in the neat solvent mixture and when Fc is dissolved in EC/PC/EMC at a concentration of 0.2 M, probably due to the interactions between common carbonyl structures within EC, PC and EMC. A difference in D (DPC < DEC < DEMC), and both a higher Ea for translational motion and higher effective viscosity for PC in the mixture containing Fc1N112-TFSI reflect the interaction between PC and Fc1N112+, which is a relatively stronger interaction than that between Fc1N112+ and other solvent species. In the EC/PC/EMC solution that is saturated with Fc1N112-TFSI, we find that DPC = DEC = DEMC and Fc1N112+ and all components of the EC/PC/EMC solution have the same Ea for translational motion, while the ratio DEC/PC/EMC/DFc1N112+ is approximately 3. These results reflect the lack of available free volume for independent diffusion in the saturated solution. The Fc1N112+ transference numbers lie around 0.4 and increases slightly as the temperature is increased in the PC and EMC solvents. The trends observed for D from simulations are in good agreement with experimental results and provide molecular level understanding of the solvation structure of Fc1N112-TFSI dissolved in EC/PC/EMC.

  11. Diffusional motion of redox centers in carbonate electrolytes

    SciTech Connect (OSTI)

    Han, Kee Sung; Rajput, Nav Nidhi; Persson, Kristin A.; Wei, Xiaoliang; Wang, Wei; Hu, Jian Zhi; Mueller, Karl T.

    2014-09-14

    Ferrocene (Fc) and N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistrifluoromethyl-sulfonimide (Fc1N112-TFSI) were dissolved in carbonate solvents and self-diffusion coefficients (D) of solutes and solvents were measured by {sup 1}H and {sup 19}F pulsed field gradient nuclear magnetic resonance (NMR) spectroscopy. The organic solvents were propylene carbonate (PC), ethyl methyl carbonate (EMC), and a ternary mixture that also includes ethylene carbonate (EC). Results from NMR studies over the temperature range of 050 C and for various concentrations (0.251.7 M) of Fc1N112-TFSI are compared to values of D simulated with classical molecular dynamics (MD). The measured self-diffusion coefficients gradually decreased as the Fc1N112-TFSI concentration increased in all solvents. Since TFSI{sup ?} has fluoromethyl groups (CF{sub 3}), D{sub TFSI} could be measured separately and the values found are larger than those for D{sub Fc1N112} in all samples measured. The EC, PC, and EMC have the same D in the neat solvent mixture and when Fc is dissolved in EC/PC/EMC at a concentration of 0.2 M, probably due to the interactions between common carbonyl structures within EC, PC, and EMC. A difference in D (D{sub PC} < D{sub EC} < D{sub EMC}), and both a higher E{sub a} for translational motion and higher effective viscosity for PC in the mixture containing Fc1N112-TFSI reflect the interaction between PC and Fc1N112{sup +}, which is a relatively stronger interaction than that between Fc1N112{sup +} and other solvent species. In the EC/PC/EMC solution that is saturated with Fc1N112-TFSI, we find that D{sub PC} = D{sub EC} = D{sub EMC} and Fc1N112{sup +} and all components of the EC/PC/EMC solution have the same E{sub a} for translational motion, while the ratio D{sub EC/PC/EMC}/D{sub Fc1N112} is approximately 3. These results reflect the lack of available free volume for independent diffusion in the saturated solution. The Fc1N112{sup +} transference numbers lie around 0.4 and increase slightly as the temperature is increased in the PC and EMC solvents. The trends observed for D from simulations are in good agreement with experimental results and provide molecular level understanding of the solvation structure of Fc1N112-TFSI dissolved in EC/PC/EMC.

  12. Apparatus for producing carbon-coated nanoparticles and carbon nanospheres

    DOE Patents [OSTI]

    Perry, W. Lee; Weigle, John C.; Phillips, Jonathan

    2015-10-20

    An apparatus for producing carbon-coated nano- or micron-scale particles comprising a container for entraining particles in an aerosol gas, providing an inlet for carbon-containing gas, providing an inlet for plasma gas, a proximate torch for mixing the aerosol gas, the carbon-containing gas, and the plasma gas, bombarding the mixed gases with microwaves, and providing a collection device for gathering the resulting carbon-coated nano- or micron-scale particles. Also disclosed is a method and apparatus for making hollow carbon nano- or micro-scale spheres.

  13. Dispersion toughened silicon carbon ceramics

    DOE Patents [OSTI]

    Wei, G.C.

    1984-01-01

    Fracture resistant silicon carbide ceramics are provided by incorporating therein a particulate dispersoid selected from the group consisting of (a) a mixture of boron, carbon and tungsten, (b) a mixture of boron, carbon and molybdenum, (c) a mixture of boron, carbon and titanium carbide, (d) a mixture of aluminum oxide and zirconium oxide, and (e) boron nitride. 4 figures.

  14. State selective dynamics of molecules, clusters, and nanostructures

    SciTech Connect (OSTI)

    Keto, John W.

    2005-06-01

    Early objectives of this grant were: (1) Measure two-photon excitation of even parity excitons in liquid an solid xenon, (2) Study state-to-state energy transver between two-photon laser excited states or rare-gas atoms to other rare has atoms, (3) study reactive half-collisions between xenon and chlorine leading to the XeCl* B state, (4) measure the spectra of ro-vibrational states of cluster ions and radicals formed in high-pressure discharges and to study their dynamics, (5) measure the surface and bulk electronic states of nanoparticles produced by a unique method of synthesis--laser ablation of microspheres (LAM). Using near-field and microluminescence techniques, we obtained spectra of single nanocrystals to compare with spectra obtained in a supersonic jet apparatus using resonance excitation followed by photoionization (REMPI) with time-of-flight mass analysis. These materials combine the functional advantages obtained from the size-tunable properties of nanocomposite materials with the fabrication and direct-write advantages of NPs manufactured by LAM. We demostrated that CdSe nanoparticles produced by LAM were efficiient fluorescers, even when deposited dry on sapphire substrates. Si nanoparticles were fluorescent when captured in ethylene glycol. We also obtiained efficient fluorescence from Er doped phosphate glass nanopartiicles which have application to gain wafeguides in integrated optics or to nanoslush lasers. We used a femptosecond laser to study the nonlinear spectra of NC composites. We are currently measuring fluorescence and second and third-order susceptibilities of composites of Ag, Si, and GaN nanoparticles encapsulated within thin films of sapphire or SiO 2.

  15. Apparatus and method of determining molecular weight of large molecules

    DOE Patents [OSTI]

    Fuerstenau, Stephen; Benner, W. Henry; Madden, Norman; Searles, William

    1998-01-01

    A mass spectrometer determines the mass of multiply charged high molecular weight molecules. This spectrometer utilizes an ion detector which is capable of simultaneously measuring the charge z and transit time of a single ion as it passes through the detector. From this transit time, the velocity of the single ion may then be derived, thus providing the mass-to-charge ratio m/z for a single ion which has been accelerated through a known potential. Given z and m/z, the mass m of the single ion can then be calculated. Electrospray ions with masses in excess of 1 MDa and charge numbers greater than 425 e.sup.- are readily detected. The on-axis single ion detection configuration enables a duty cycle of nearly 100% and extends the practical application of electrospray mass spectrometry to the analysis of very large molecules with relatively inexpensive instrumentation.

  16. Apparatus and method of determining molecular weight of large molecules

    DOE Patents [OSTI]

    Fuerstenau, S.; Benner, W.H.; Madden, N.M.; Searles, W.

    1998-06-23

    A mass spectrometer determines the mass of multiply charged high molecular weight molecules. This spectrometer utilizes an ion detector which is capable of simultaneously measuring the charge z and transit time of a single ion as it passes through the detector. From this transit time, the velocity of the single ion may then be derived, thus providing the mass-to-charge ratio m/z for a single ion which has been accelerated through a known potential. Given z and m/z, the mass m of the single ion can then be calculated. Electrospray ions with masses in excess of 1 MDa and charge numbers greater than 425 e{sup {minus}} are readily detected. The on-axis single ion detection configuration enables a duty cycle of nearly 100% and extends the practical application of electrospray mass spectrometry to the analysis of very large molecules with relatively inexpensive instrumentation. 14 figs.

  17. 2e Carbon Access | Open Energy Information

    Open Energy Info (EERE)

    e Carbon Access Jump to: navigation, search Name: 2e Carbon Access Place: New York, New York Zip: 10280 Sector: Carbon Product: 2E Carbon Access is an enterprise focused solely on...

  18. Less Carbon Ltd | Open Energy Information

    Open Energy Info (EERE)

    Less Carbon Ltd Jump to: navigation, search Name: Less Carbon Ltd Place: London, Greater London, United Kingdom Zip: EC3M 4BT Sector: Carbon Product: Less Carbon advises energy...

  19. SGL Carbon AG | Open Energy Information

    Open Energy Info (EERE)

    Carbon AG Jump to: navigation, search Name: SGL Carbon AG Place: Wiesbaden, Hessen, Germany Zip: 65203 Sector: Carbon Product: A Germany-based manufacturer of carbon-based products...

  20. Pilot-Scale Silicone Process for Low-Cost Carbon Dioxide Capture

    SciTech Connect (OSTI)

    Singh, Surinder; Spiry, Irina; Wood, Benjamin; Hancu, Dan; Chen, Wei

    2014-07-01

    This report presents system and economicanalysis for a carbon-capture unit which uses an aminosilicone-based solvent for CO₂ capture in a pulverized coal (PC) boiler. The aminosilicone solvent is a 60/40 wt/wt mixture of 3-aminopropyl end-capped polydimethylsiloxane (GAP-1m) with tri-ethylene glycol (TEG) as a co-solvent. Forcomparison purposes, the report also shows results for a carbon-capture unit based on a conventional approach using mono-ethanol amine (MEA). The first year removal cost of CO₂ for the aminosilicone-based carbon-capture process is $46.04/ton of CO₂ as compared to $60.25/ton of CO₂ when MEA is used. The aminosilicone- based process has <77% of the CAPEX of a system using MEA solvent. The lower CAPEX is due to several factors, including the higher working capacity of the aminosilicone solvent compared the MEA, which reduces the solvent flow rate required, reducing equipment sizes. If it is determined that carbon steel can be used in the rich-lean heat exchanger in the carbon capture unit, the first year removal cost of CO₂ decreases to $44.12/ton. The aminosilicone-based solvent has a higherthermal stability than MEA, allowing desorption to be conducted at higher temperatures and pressures, decreasing the number of compressor stages needed. The aminosilicone-based solvent also has a lowervapor pressure, allowing the desorption to be conducted in a continuous-stirred tank reactor versus a more expensive packed column. The aminosilicone-based solvent has a lowerheat capacity, which decreases the heat load on the desorber. In summary, the amino-silicone solvent has significant advantages overconventional systems using MEA.

  1. Thermodynamic assessment of microencapsulated sodium carbonate slurry for carbon capture

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Stolaroff, Joshuah K.; Bourcier, William L.

    2014-01-01

    Micro-encapsulated Carbon Sorbents (MECS) are a new class of carbon capture materials consisting of a CO₂- absorbing liquid solvent contained within solid, CO₂-permeable, polymer shells. MECS enhance the rate of CO₂ absorption for solvents with slow kinetics and prevent solid precipitates from scaling and fouling equipment, two factors that have previously limited the use of sodium carbonate solution for carbon capture. Here, we examine the thermodynamics of sodium carbonate slurries for carbon capture. We model the vapour-liquid-solid equilibria of sodium carbonate and find several features that can contribute to an energy-efficient capture process: very high CO₂ pressures in stripping conditions,more » relatively low water vapour pressures in stripping conditions, and good swing capacity. The potential energy savings compared with an MEA system are discussed.« less

  2. Thermodynamic assessment of microencapsulated sodium carbonate slurry for carbon capture

    SciTech Connect (OSTI)

    Stolaroff, Joshuah K.; Bourcier, William L.

    2014-01-01

    Micro-encapsulated Carbon Sorbents (MECS) are a new class of carbon capture materials consisting of a CO?- absorbing liquid solvent contained within solid, CO?-permeable, polymer shells. MECS enhance the rate of CO? absorption for solvents with slow kinetics and prevent solid precipitates from scaling and fouling equipment, two factors that have previously limited the use of sodium carbonate solution for carbon capture. Here, we examine the thermodynamics of sodium carbonate slurries for carbon capture. We model the vapour-liquid-solid equilibria of sodium carbonate and find several features that can contribute to an energy-efficient capture process: very high CO? pressures in stripping conditions, relatively low water vapour pressures in stripping conditions, and good swing capacity. The potential energy savings compared with an MEA system are discussed.

  3. Subtask 2: Molecules, Materials, and Systems for Solar Electricity | ANSER

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

    Center | Argonne-Northwestern National Laboratory 2: Molecules, Materials, and Systems for Solar Electricity Home > Research > Subtask 2 The above figure depicts the structure of active polymer layers in organic solar cells. The above figure depicts the structure of active polymer layers in organic solar cells. ANSER Center research tests theory-driven ideas to understand at a fundamental level how photovoltaic cell performance is affected by nanoscale/mesoscale

  4. Molecule@MOF: A New Class of Electronic Materials

    Office of Scientific and Technical Information (OSTI)

    22PE Exceptional service in the national interest Sandia National Laboratories Molecule@MOF: A New Class of Electronic Materials A. Alec Talin Sandia National Labs, Livermore, CA aatalin@sandia.gov Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Remember these? Sandia

  5. Composition for detection of cell density signal molecule

    DOE Patents [OSTI]

    Schwarz, Richard I.

    2001-01-01

    Disclosed herein is a novel proteinaceous cell density signal molecule (CDS), which is secreted by fibroblastic cells in culture, preferably tendon cells, and which provides a means by which the cells self-regulate their proliferation and the expression of differentiated function. CDS, and the antibodies which recognize them, are important for the development of diagnostics and treatments for injuries and diseases involving connective tissues, particularly tendon. Also disclosed are methods of production and use.

  6. Polymer and small molecule based hybrid light source

    DOE Patents [OSTI]

    Choong, Vi-En; Choulis, Stelios; Krummacher, Benjamin Claus; Mathai, Mathew; So, Franky

    2010-03-16

    An organic electroluminescent device, includes: a substrate; a hole-injecting electrode (anode) coated over the substrate; a hole injection layer coated over the anode; a hole transporting layer coated over the hole injection layer; a polymer based light emitting layer, coated over the hole transporting layer; a small molecule based light emitting layer, thermally evaporated over the polymer based light emitting layer; and an electron-injecting electrode (cathode) deposited over the electroluminescent polymer layer.

  7. Probing Valance and Core Excitons in Molecules by Coherent Multidimensional

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

    Spectroscopy with Clasical and Quantum Light | MIT-Harvard Center for Excitonics Valance and Core Excitons in Molecules by Coherent Multidimensional Spectroscopy with Clasical and Quantum Light September 20, 2011 at 3pm/36-428 Shaul Mukamel University of California, Irvine shaul_001 Abstract: Multidimensional spectroscopic techniques which originated with NMR in the 1970's have been extended over the past 18 years to the infrared and visible regimes. Novel extensions of these ideas to study

  8. Ro-vibrational Relaxation Dynamics of PbF Molecules

    SciTech Connect (OSTI)

    Neil Shafer-Ray

    2011-04-08

    In 1950 Purcell and Ramsey suggested that the electron might have a CP-violating electric dipole moment (e-EDM) proportional to its spin angular momentum. This possibility initiated an ongoing hunt for the e-EDM that has been spurred on by the recognition of the importance of CP-violation to the formation of a matter-dominated universe[2] as well as a difference in magnitude of the Supersymmetric and Standard Model[4] prediction for its value. The current limit on the e-EDM is 1.6E??27 e·cm as determined in a Ramsey beam resonance study of the Tl atom. The PbF molecule provides a unique opportunity to measure the e-EDM. The molecule??s odd electron, heavy mass, and large internal field combine to give it an intrinsic sensitivity to an e-EDM that is over three orders of magnitude bigger than that of the Tl atom. In addition to this increased intrinsic sensitivity, the ground state of the PbF molecule allows for a "magic" electric field at which the magnetic moment vanishes[7]. All of these advantages create an opportunity to significantly lower the current limit on the e-EDM. These advantages can only be realized if an intense source of ground-state PbF molecules can be created and detected with high efficiency. The scope of this project is to (1) create a rotationally cold molecular beam source of PbF, (2) achieve a continuous ionization scheme for sensitive state selective detection of the PbF molecule.

  9. Density Functional Theory with Dissipation: Transport through Single Molecules

    SciTech Connect (OSTI)

    Kieron Burke

    2012-04-30

    A huge amount of fundamental research was performed on this grant. Most of it focussed on fundamental issues of electronic structure calculations of transport through single molecules, using density functional theory. Achievements were: (1) First density functional theory with dissipation; (2) Pseudopotential plane wave calculations with master equation; (3) Weak bias limit; (4) Long-chain conductance; and (5) Self-interaction effects in tunneling.

  10. Using Coupled Harmonic Oscillators to Model Some Greenhouse Gas Molecules

    SciTech Connect (OSTI)

    Go, Clark Kendrick C.; Maquiling, Joel T.

    2010-07-28

    Common greenhouse gas molecules SF{sub 6}, NO{sub 2}, CH{sub 4}, and CO{sub 2} are modeled as harmonic oscillators whose potential and kinetic energies are derived. Using the Euler-Lagrange equation, their equations of motion are derived and their phase portraits are plotted. The authors use these data to attempt to explain the lifespan of these gases in the atmosphere.

  11. Anatomic and Functional Imaging of Tagged Molecules in Animals - Energy

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

    Innovation Portal Anatomic and Functional Imaging of Tagged Molecules in Animals Thomas Jefferson National Accelerator Facility Contact TJNAF About This Technology Technology Marketing SummaryA novel functional imaging system for use in the imaging of unrestrained and non-anesthetized small animals or other subjects and a method for acquiring such images and further registering them with anatomical X-ray images previously or subsequently acquired.DescriptionThe apparatus comprises a

  12. Establishing MICHCARB, a geological carbon sequestration research...

    Office of Scientific and Technical Information (OSTI)

    Western Michigan University 58 GEOSCIENCES Geological carbon sequestration Enhanced oil recovery Characterization of oil, gas and saline reservoirs Geological carbon...

  13. Carbon Capture and Storage, 2008

    ScienceCinema (OSTI)

    None

    2010-01-08

    The U.S. Department of Energy is researching the safe implementation of a technology called carbon sequestration, also known as carbon capture and storage, or CCS. Based on an oilfield practice, this approach stores carbon dioxide, or CO2 generated from human activities for millennia as a means to mitigate global climate change. In 2003, the Department of Energys National Energy Technology Laboratory formed seven Regional Carbon Sequestration Partnerships to assess geologic formations suitable for storage and to determine the best approaches to implement carbon sequestration in each region. This video describes the work of these partnerships.

  14. Carbon Capture and Storage, 2008

    SciTech Connect (OSTI)

    2009-03-19

    The U.S. Department of Energy is researching the safe implementation of a technology called carbon sequestration, also known as carbon capture and storage, or CCS. Based on an oilfield practice, this approach stores carbon dioxide, or CO2 generated from human activities for millennia as a means to mitigate global climate change. In 2003, the Department of Energys National Energy Technology Laboratory formed seven Regional Carbon Sequestration Partnerships to assess geologic formations suitable for storage and to determine the best approaches to implement carbon sequestration in each region. This video describes the work of these partnerships.

  15. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Large Magnetization at Carbon Surfaces Print Wednesday, 31 August 2011 00:00 From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the

  16. Effect of an organic molecular coating on control over the conductance of carbon nanotube channel

    SciTech Connect (OSTI)

    Bobrinetskiy, I. I.; Emelianov, A. V.; Nevolin, V. K. Romashkin, A. V.

    2014-12-15

    It is shown that the coating of carbon nanotubes with molecules with a constant dipole moment changes the conductance of the tubes due to a variation in the structure of energy levels that participate in charge transport. The IV characteristics of the investigated structures exhibit significant dependence of the channel conductance on the gate potential. The observed memory effect of conductance level can be explained by the rearrangement of polar groups and molecules as a whole in an electric field. The higher the dipole moment per unit length and the weaker the intermolecular interaction, the faster the rearrangement process is.

  17. Interface Induced Carbonate Mineralization: A Fundamental Geochemical

    Office of Scientific and Technical Information (OSTI)

    Process Relevant to Carbon Sequestration (Technical Report) | SciTech Connect Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration Citation Details In-Document Search Title: Interface Induced Carbonate Mineralization: A Fundamental Geochemical Process Relevant to Carbon Sequestration Mica, biotite, muscovite, diopside, tremolite, ultramafic rock, hematite, Ca-Mg-carbonate, calcite, aragonite, dolomite, crystal nucleation,

  18. Single Molecule Switches and Molecular Self-Assembly: Low Temperature STM Investigations and Manipulations

    SciTech Connect (OSTI)

    Iancu, Violeta

    2006-08-01

    This dissertation is devoted to single molecule investigations and manipulations of two porphyrin-based molecules, chlorophyll-a and Co-popphyrin. The molecules are absorbed on metallic substrates and studied at low temperatures using a scanning tunneling microscope. The electronic, structural and mechanical properties of the molecules are investigated in detail with atomic level precision. Chlorophyll-a is the key ingredient in photosynthesis processes while Co-porphyrin is a magnetic molecule that represents the recent emerging field of molecular spintronics. Using the scanning tunneling microscope tip and the substrate as electrodes, and the molecules as active ingredients, single molecule switches made of these two molecules are demonstrated. The first switch, a multiple and reversible mechanical switch, is realized by using chlorophyll-a where the energy transfer of a single tunneling electron is used to rotate a C-C bond of the molecule's tail on a Au(111) surface. Here, the det

  19. Carbonate fuel cell matrix

    DOE Patents [OSTI]

    Farooque, Mohammad; Yuh, Chao-Yi

    1996-01-01

    A carbonate fuel cell matrix comprising support particles and crack attenuator particles which are made platelet in shape to increase the resistance of the matrix to through cracking. Also disclosed is a matrix having porous crack attenuator particles and a matrix whose crack attenuator particles have a thermal coefficient of expansion which is significantly different from that of the support particles, and a method of making platelet-shaped crack attenuator particles.

  20. Carbonate fuel cell matrix

    DOE Patents [OSTI]

    Farooque, M.; Yuh, C.Y.

    1996-12-03

    A carbonate fuel cell matrix is described comprising support particles and crack attenuator particles which are made platelet in shape to increase the resistance of the matrix to through cracking. Also disclosed is a matrix having porous crack attenuator particles and a matrix whose crack attenuator particles have a thermal coefficient of expansion which is significantly different from that of the support particles, and a method of making platelet-shaped crack attenuator particles. 8 figs.

  1. Computational and experimental study of the effects of adding dimethyl ether and ethanol to nonpremixed ethylene/air flames

    SciTech Connect (OSTI)

    Bennett, Beth Anne V.; McEnally, Charles S.; Pfefferle, Lisa D.; Smooke, Mitchell D.; Colket, Meredith B.

    2009-06-15

    Two sets of axisymmetric laminar coflow flames, each consisting of ethylene/air nonpremixed flames with various amounts (up to 10%) of either dimethyl ether (CH{sub 3}-O-CH{sub 3}) or ethanol (CH{sub 3}-CH{sub 2}-OH) added to the fuel stream, have been examined both computationally and experimentally. Computationally, the local rectangular refinement method, which incorporates Newton's method, is used to solve the fully coupled nonlinear conservation equations on solution-adaptive grids for each flame in two spatial dimensions. The numerical model includes C6 chemical kinetic mechanisms with up to 59 species, detailed transport, and an optically thin radiation submodel. Experimentally, thermocouples are used to measure gas temperatures, and mass spectrometry is used to determine concentrations of over 35 species along the flame centerline. Computational results are examined throughout each flame, and validation of the model occurs through comparison with centerline measurements. Very good agreement is observed for temperature, major species, and several minor species. As the level of additive is increased, temperatures, some major species (CO{sub 2}, C{sub 2}H{sub 2}), flame lengths, and residence times are essentially unchanged. However, peak centerline concentrations of benzene (C{sub 6}H{sub 6}) increase, and this increase is largest when dimethyl ether is the additive. Computational and experimental results support the hypothesis that the dominant pathway to C{sub 6}H{sub 6} formation begins with the oxygenates decomposing into methyl radical (CH{sub 3}), which combines with C2 species to form propargyl (C{sub 3}H{sub 3}), which reacts with itself to form C{sub 6}H{sub 6}. (author)

  2. Reactions of carbon atoms in pulsed molecular beams

    SciTech Connect (OSTI)

    Reisler, H.

    1993-12-01

    This research program consists of a broad scope of experiments designed to unravel the chemistry of atomic carbon in its two spin states, P and D, by using well-controlled initial conditions and state-resolved detection of products. Prerequisite to the proposed studies (and the reason why so little is known about carbon atom reactions), is the development of clean sources of carbon atoms. Therefore, in parallel with the studies of its chemistry and reaction dynamics, the authors continuously explore new, state-specific and efficient ways of producing atomic carbon. In the current program, C({sup 3}P) is produced via laser ablation of graphite, and three areas of study are being pursued: (i) exothermic reactions with small inorganic molecules (e.g., O{sub 2}, N{sub 2}O, NO{sub 2}) that can proceed via multiple pathways; (ii) the influence of vibrational and translational energy on endothermic reactions involving H-containing reactants that yield CH products (e.g., H{sub 2}O H{sub 2}CO); (iii) reactions of C({sup 3}P) with free radicals (e.g., HCO, CH{sub 3}O). In addition, the authors plan to develop a source of C({sup 1}D) atoms by exploiting the pyrolysis of diazotetrazole and its salts in the ablation source. Another important goal involves collaboration with theoreticians in order to obtain relevant potential energy surfaces, rationalize the experimental results and predict the roles of translational and vibrational energies.

  3. Carbon Ion Pump for Carbon Dioxide Removal - Energy Innovation Portal

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

    Industrial Technologies Industrial Technologies Find More Like This Return to Search Carbon Ion Pump for Carbon Dioxide Removal Lawrence Livermore National Laboratory Contact LLNL About This Technology Technology Marketing Summary The limitation to reducing greenhouse gases in the atmosphere is the expense of stripping carbon dioxide from other combustion gases. Without a cost-effective means of accomplishing this, hydrocarbon resources cannot be used freely. A few power plants currently remove

  4. Novel nuclear magnetic resonance techniques for studying biological molecules

    SciTech Connect (OSTI)

    Laws, David D.

    2000-06-01

    Over the fifty-five year history of Nuclear Magnetic Resonance (NMR), considerable progress has been made in the development of techniques for studying the structure, function, and dynamics of biological molecules. The majority of this research has involved the development of multi-dimensional NMR experiments for studying molecules in solution, although in recent years a number of groups have begun to explore NMR methods for studying biological systems in the solid-state. Despite this new effort, a need still exists for the development of techniques that improve sensitivity, maximize information, and take advantage of all the NMR interactions available in biological molecules. In this dissertation, a variety of novel NMR techniques for studying biomolecules are discussed. A method for determining backbone ({phi}/{psi}) dihedral angles by comparing experimentally determined {sup 13}C{sub a}, chemical-shift anisotropies with theoretical calculations is presented, along with a brief description of the theory behind chemical-shift computation in proteins and peptides. The utility of the Spin-Polarization Induced Nuclear Overhauser Effect (SPINOE) to selectively enhance NMR signals in solution is examined in a variety of systems, as are methods for extracting structural information from cross-relaxation rates that can be measured in SPINOE experiments. Techniques for the production of supercritical and liquid laser-polarized xenon are discussed, as well as the prospects for using optically pumped xenon as a polarizing solvent. In addition, a detailed study of the structure of PrP 89-143 is presented. PrP 89-143 is a 54 residue fragment of the prion proteins which, upon mutation and aggregation, can induce prion diseases in transgenic mice. Whereas the structure of the wild-type PrP 89-143 is a generally unstructured mixture of {alpha}-helical and {beta}-sheet conformers in the solid state, the aggregates formed from the PrP 89-143 mutants appear to be mostly {beta}-sheet.

  5. Molecular Design of Branched and Binary Molecules at Ordered Interfaces

    SciTech Connect (OSTI)

    Kirsten Larson Genson

    2005-12-27

    This study examined five different branched molecular architectures to discern the effect of design on the ability of molecules to form ordered structures at interfaces. Photochromic monodendrons formed kinked packing structures at the air-water interface due to the cross-sectional area mismatch created by varying number of alkyl tails and the hydrophilic polar head group. The lower generations formed orthorhombic unit cell with long range ordering despite the alkyl tails tilted to a large degree. Favorable interactions between liquid crystalline terminal groups and the underlying substrate were observed to compel a flexible carbosilane dendrimer core to form a compressed elliptical conformation which packed stagger within lamellae domains with limited short range ordering. A twelve arm binary star polymer was observed to form two dimensional micelles at the air-water interface attributed to the higher polystyrene block composition. Linear rod-coil molecules formed a multitude of packing structures at the air-water interface due to the varying composition. Tree-like rod-coil molecules demonstrated the ability to form one-dimensional structures at the air-water interface and at the air-solvent interface caused by the preferential ordering of the rigid rod cores. The role of molecular architecture and composition was examined and the influence chemically competing fragments was shown to exert on the packing structure. The amphiphilic balance of the different molecular series exhibited control on the ordering behavior at the air-water interface and within bulk structures. The shell nature and tail type was determined to dictate the preferential ordering structure and molecular reorganization at interfaces with the core nature effect secondary.

  6. BEAM TRANSPORT AND STORAGE WITH COLD NEUTRAL ATOMS AND MOLECULES

    SciTech Connect (OSTI)

    Walstrom, Peter L.

    2012-05-15

    A large class of cold neutral atoms and molecules is subject to magnetic field-gradient forces. In the presence of a field, hyperfine atomic states are split into several Zeeman levels. The slopes of these curves vs. field are the effective magnetic moments. By means of optical pumping in a field, Zeeman states of neutral lithium atoms and CaH molecules with effective magnetic moments of nearly {+-} one Bohr magneton can be selected. Particles in Zeeman states for which the energy increases with field are repelled by increasing fields; particles in states for which the energy decreases with field are attracted to increasing fields. For stable magnetic confinement, field-repelled states are required. Neutral-particle velocities in the present study are on the order of tens to hundreds of m/s and the magnetic fields needed for transport and injection are on the order of in the range of 0.01-1T. Many of the general concepts of charged-particle beam transport carry over into neutral particle spin-force optics, but with important differences. In general, the role of bending dipoles in charged particle optics is played by quadrupoles in neutral particle optics; the role of quadrupoles is played by sextupoles. The neutralparticle analog of charge-exchange injection into storage rings is the use of lasers to flip the state of particles from field-seeking to field-repelled. Preliminary tracking results for two neutral atom/molecule storage ring configurations are presented. It was found that orbit instabilities limit the confinment time in a racetrack-shaped ring with discrete magnetic elements with drift spaces between them; stable behavior was observed in a toroidal ring with a continuous sextupole field. An alternative concept using a linear sextupole or octupole channel with solenoids on the ends is presently being considered.

  7. Numerically Solvable Model for Resonant Collisions of Electronswith Diatomic Molecules

    SciTech Connect (OSTI)

    Houfek, Karel; Rescigno, T.N.; McCurdy, C.W.

    2006-01-27

    We describe a simple model for electron-molecule collisions that has one nuclear and one electronic degree of freedom and that can be solved to arbitrarily high precision, without making the Born-Oppenheimer approximation, by employing a combination of the exterior complex scaling method and a finite-element implementation of the discrete variable representation. We compare exact cross sections for vibrational excitation and dissociative attachment with results obtained using the local complex potential approximation as commonly applied in the ''boomerang'' model, and suggest how this two-dimensional model can be used to test the underpinnings of contemporary nonlocal approximations to resonant collisions.

  8. Spectroscopic and dynamical studies of highly energized small polyatomic molecules

    SciTech Connect (OSTI)

    Field, R.W.; Silbey, R.J.

    1993-12-01

    The authors have initiated a program to perform spectroscopic and dynamic studies of small molecules. Large amplitude motions in excited acetylene were discussed along with plans to record the dispersed fluorescence (DF) and the stimulated emission pumping (SEP) spectra. SEP spectra were reported for the formyl radical. A Fourier transform spectrometer was discussed with respect to its ability to probe the structure of radicals. This instrument is capable of performing studies using various techniques such as magnetic rotation spectroscopy and sub-Doppler sideband-OODR Zeman (SOODRZ) spectroscopy.

  9. Vacuum ultraviolet photoionization and photodissociation of polyatomic molecules and radicals

    SciTech Connect (OSTI)

    Ng, C.Y.

    1993-12-01

    In the past decade, tremendous progress has been made in understanding the photodissociation (PD) dynamics of triatomic molecules. However, the PD study of radicals, especially polyatomic radicals, has remained essentially an unexplored research area. Detailed state-to-state PD cross sections for radicals in the UV and VUV provide challenges not only for dynamical calculations, but also for ab initio quantum chemical studies. The authors have developed a laser based pump-probe apparatus for the measurement of absolute PD cross sections for CH{sub 3}S and HS is summarized.

  10. Geologic Carbon Sequestration and Biosequestration (Carbon Cycle 2.0)

    ScienceCinema (OSTI)

    DePaolo, Don [Director, LBNL Earth Sciences Division

    2011-06-08

    Don DePaolo, Director of LBNL's Earth Sciences Division, speaks at the Carbon Cycle 2.0 kick-off symposium Feb. 3, 2010. We emit more carbon into the atmosphere than natural processes are able to remove - an imbalance with negative consequences. Carbon Cycle 2.0 is a Berkeley Lab initiative to provide the science needed to restore this balance by integrating the Labs diverse research activities and delivering creative solutions toward a carbon-neutral energy future. http://carboncycle2.lbl.gov/

  11. Method for joining carbon-carbon composites to metals

    DOE Patents [OSTI]

    Lauf, R.J.; McMillan, A.D.; Moorhead, A.J.

    1997-07-15

    A method for joining carbon-carbon composites to metals by brazing. Conventional brazing of recently developed carbon-bonded carbon fiber (CBCF) material to a metal substrate is limited by the tendency of the braze alloy to ``wick`` into the CBCF composite rather than to form a strong bond. The surface of the CBCF composite that is to be bonded is first sealed with a fairly dense carbonaceous layer achieved by any of several methods. The sealed surface is then brazed to the metal substrate by vacuum brazing with a Ti-Cu-Be alloy. 1 fig.

  12. Method for joining carbon-carbon composites to metals

    DOE Patents [OSTI]

    Lauf, Robert J.; McMillan, April D.; Moorhead, Arthur J.

    1997-01-01

    A method for joining carbon-carbon composites to metals by brazing. Conventional brazing of recently developed carbon-bonded carbon fiber (CBCF) material to a metal substrate is limited by the tendency of the braze alloy to "wick" into the CBCF composite rather than to form a strong bond. The surface of the CBCF composite that is to be bonded is first sealed with a fairly dense carbonaceous layer achieved by any of several methods. The sealed surface is then brazed to the metal substrate by vacuum brazing with a Ti-Cu-Be alloy.

  13. Deterministically Polarized Fluorescence from Single Dye Molecules Aligned in Liquid Crystal Host

    SciTech Connect (OSTI)

    Lukishova, S.G.; Schmid, A.W.; Knox, R.; Freivald, P.; Boyd, R. W.; Stroud, Jr., C. R.; Marshall, K.L.

    2005-09-30

    We demonstrated for the first time to our konwledge deterministically polarized fluorescence from single dye molecules. Planar aligned nematic liquid crystal hosts provide deterministic alignment of single dye molecules in a preferred direction.

  14. Global carbon budget 2014

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Le Quéré, C.; Moriarty, R.; Andrew, R. M.; Peters, G. P.; Ciais, P.; Friedlingstein, P.; Jones, S. D.; Sitch, S.; Tans, P.; Arneth, A.; et al

    2015-05-08

    Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and a methodology to quantify all major components of the global carbon budget, including their uncertainties, based on the combination of a range of data, algorithms, statistics, and model estimates and their interpretation by a broad scientific community. We discuss changes compared to previous estimates, consistency within and among components, alongside methodology and data limitations. CO2 emissionsmore » from fossil fuel combustion and cement production (EFF) are based on energy statistics and cement production data, respectively, while emissions from land-use change (ELUC), mainly deforestation, are based on combined evidence from land-cover-change data, fire activity associated with deforestation, and models. The global atmospheric CO2 concentration is measured directly and its rate of growth (GATM) is computed from the annual changes in concentration. The mean ocean CO2 sink (SOCEAN) is based on observations from the 1990s, while the annual anomalies and trends are estimated with ocean models. The variability in SOCEAN is evaluated with data products based on surveys of ocean CO2 measurements. The global residual terrestrial CO2 sink (SLAND) is estimated by the difference of the other terms of the global carbon budget and compared to results of independent dynamic global vegetation models forced by observed climate, CO2, and land-cover-change (some including nitrogen–carbon interactions). We compare the mean land and ocean fluxes and their variability to estimates from three atmospheric inverse methods for three broad latitude bands. All uncertainties are reported as ±1σ;, reflecting the current capacity to characterise the annual estimates of each component of the global carbon budget. For the last decade available (2004–2013), EFF was 8.9 ± 0.4 GtC yr⁻¹,ELUC 0.9 ± 0.5 GtC yr⁻¹, GATM 4.3 ± 0.1 GtC yr⁻¹, SOCEAN 2.6 ± 0.5 GtC yr⁻¹, and SLAND 2.9 ± 0.8 GtC yr⁻¹. For year 2013 alone, EFF grew to 9.9 ± 0.5 GtC yr⁻¹, 2.3% above 2012, continuing the growth trend in these emissions, ELUC was 0.9 ± 0.5 GtC yr⁻¹, GATM was 5.4 ± 0.2 GtC yr⁻¹, SOCEAN was 2.9 ± 0.5 GtC yr⁻¹, and SLAND was 2.5 ± 0.9 GtC yr⁻¹. GATM was high in 2013, reflecting a steady increase in EFF and smaller and opposite changes between SOCEAN and SLAND compared to the past decade (2004–2013). The global atmospheric CO2 concentration reached 395.31 ± 0.10 ppm averaged over 2013. We estimate that EFF will increase by 2.5% (1.3–3.5%) to 10.1 ± 0.6 GtC in 2014 (37.0 ± 2.2 GtCO2 yr⁻¹), 65% above emissions in 1990, based on projections of world gross domestic product and recent changes in the carbon intensity of the global economy. From this projection of EFF and assumed constant ELUC for 2014, cumulative emissions of CO2 will reach about 545 ± 55 GtC (2000 ± 200 GtCO2) for 1870–2014, about 75% from EFF and 25% from ELUC. This paper documents changes in the methods and data sets used in this new carbon budget compared with previous publications of this living data set (Le Quéré et al., 2013, 2014). All observations presented here can be downloaded from the Carbon Dioxide Information Analysis Center (doi:10.3334/CDIAC/GCP_2014).« less

  15. Carbonate fuel cell anodes

    DOE Patents [OSTI]

    Donado, R.A.; Hrdina, K.E.; Remick, R.J.

    1993-04-27

    A molten alkali metal carbonates fuel cell porous anode of lithium ferrite and a metal or metal alloy of nickel, cobalt, nickel/iron, cobalt/iron, nickel/iron/aluminum, cobalt/iron/aluminum and mixtures thereof wherein the total iron content including ferrite and iron of the composite is about 25 to about 80 percent, based upon the total anode, provided aluminum when present is less than about 5 weight percent of the anode. A process is described for production of the lithium ferrite containing anode by slipcasting.

  16. Global carbon budget 2014

    SciTech Connect (OSTI)

    Le Quéré, C.; Moriarty, R.; Andrew, R. M.; Peters, G. P.; Ciais, P.; Friedlingstein, P.; Jones, S. D.; Sitch, S.; Tans, P.; Arneth, A.; Boden, T. A.; Bopp, L.; Bozec, Y.; Canadell, J. G.; Chini, L. P.; Chevallier, F.; Cosca, C. E.; Harris, I.; Hoppema, M.; Houghton, R. A.; House, J. I.; Jain, A. K.; Johannessen, T.; Kato, E.; Keeling, R. F.; Kitidis, V.; Klein Goldewijk, K.; Koven, C.; Landa, C. S.; Landschützer, P.; Lenton, A.; Lima, I. D.; Marland, G.; Mathis, J. T.; Metzl, N.; Nojiri, Y.; Olsen, A.; Ono, T.; Peng, S.; Peters, W.; Pfeil, B.; Poulter, B.; Raupach, M. R.; Regnier, P.; Rödenbeck, C.; Saito, S.; Salisbury, J. E.; Schuster, U.; Schwinger, J.; Séférian, R.; Segschneider, J.; Steinhoff, T.; Stocker, B. D.; Sutton, A. J.; Takahashi, T.; Tilbrook, B.; van der Werf, G. R.; Viovy, N.; Wang, Y.-P.; Wanninkhof, R.; Wiltshire, A.; Zeng, N.

    2015-05-08

    Accurate assessment of anthropogenic carbon dioxide (CO2) emissions and their redistribution among the atmosphere, ocean, and terrestrial biosphere is important to better understand the global carbon cycle, support the development of climate policies, and project future climate change. Here we describe data sets and a methodology to quantify all major components of the global carbon budget, including their uncertainties, based on the combination of a range of data, algorithms, statistics, and model estimates and their interpretation by a broad scientific community. We discuss changes compared to previous estimates, consistency within and among components, alongside methodology and data limitations. CO2 emissions from fossil fuel combustion and cement production (EFF) are based on energy statistics and cement production data, respectively, while emissions from land-use change (ELUC), mainly deforestation, are based on combined evidence from land-cover-change data, fire activity associated with deforestation, and models. The global atmospheric CO2 concentration is measured directly and its rate of growth (GATM) is computed from the annual changes in concentration. The mean ocean CO2 sink (SOCEAN) is based on observations from the 1990s, while the annual anomalies and trends are estimated with ocean models. The variability in SOCEAN is evaluated with data products based on surveys of ocean CO2 measurements. The global residual terrestrial CO2 sink (SLAND) is estimated by the difference of the other terms of the global carbon budget and compared to results of independent dynamic global vegetation models forced by observed climate, CO2, and land-cover-change (some including nitrogen–carbon interactions). We compare the mean land and ocean fluxes and their variability to estimates from three atmospheric inverse methods for three broad latitude bands. All uncertainties are reported as ±1σ;, reflecting the current capacity to characterise the annual estimates of each component of the global carbon budget. For the last decade available (2004–2013), EFF was 8.9 ± 0.4 GtC yr⁻¹,ELUC 0.9 ± 0.5 GtC yr⁻¹, GATM 4.3 ± 0.1 GtC yr⁻¹, SOCEAN 2.6 ± 0.5 GtC yr⁻¹, and SLAND 2.9 ± 0.8 GtC yr⁻¹. For year 2013 alone, EFF grew to 9.9 ± 0.5 GtC yr⁻¹, 2.3% above 2012, continuing the growth trend in these emissions, ELUC was 0.9 ± 0.5 GtC yr⁻¹, GATM was 5.4 ± 0.2 GtC yr⁻¹, SOCEAN was 2.9 ± 0.5 GtC yr⁻¹, and SLAND was 2.5 ± 0.9 GtC yr⁻¹. GATM was high in 2013, reflecting a steady increase in EFF and smaller and opposite changes between SOCEAN and SLAND compared to the past decade (2004–2013). The global atmospheric CO2 concentration reached 395.31 ± 0.10 ppm averaged over 2013. We estimate that EFF will increase by 2.5% (1.3–3.5%) to 10.1 ± 0.6 GtC in 2014 (37.0 ± 2.2 GtCO2 yr⁻¹), 65% above emissions in 1990, based on projections of world gross domestic product and recent changes in the carbon intensity of the global economy. From this projection of EFF and assumed constant ELUC for 2014, cumulative emissions of CO2 will reach about 545 ± 55 GtC (2000 ± 200 GtCO2) for 1870–2014, about 75% from EFF and 25% from ELUC. This paper documents changes in the methods and data sets used in this new carbon budget compared with previous publications of this living data set (Le Quéré et al., 2013, 2014). All observations presented here can be downloaded from the Carbon Dioxide Information Analysis Center (doi:10.3334/CDIAC/GCP_2014).

  17. Carbonate fuel cell anodes

    DOE Patents [OSTI]

    Donado, Rafael A. (Chicago, IL); Hrdina, Kenneth E. (Glenview, IL); Remick, Robert J. (Bolingbrook, IL)

    1993-01-01

    A molten alkali metal carbonates fuel cell porous anode of lithium ferrite and a metal or metal alloy of nickel, cobalt, nickel/iron, cobalt/iron, nickel/iron/aluminum, cobalt/iron/aluminum and mixtures thereof wherein the total iron content including ferrite and iron of the composite is about 25 to about 80 percent, based upon the total anode, provided aluminum when present is less than about 5 weight percent of the anode. A process for production of the lithium ferrite containing anode by slipcasting.

  18. Carbon Joins the Magnetic Club

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

    Press Release 29 May 2007 Carbon Joins the Magnetic Club summary written by Brad Plummer, SLAC Communication Office The exclusive club of magnetic elements officially has a new member-carbon. Using a proton beam and advanced x-ray techniques, SLAC researchers in collaboration with colleagues from LBNL and the University of Leipzig in Germany have finally put to rest doubts about carbon's ability to be made magnetic. "In the past, some groups thought they had discovered magnetic

  19. ARM - Sources of Atmospheric Carbon

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

    Sources of Atmospheric Carbon Outreach Home Room News Publications Traditional Knowledge Kiosks Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Sources of Atmospheric Carbon Atmospheric carbon represented a steady state system, where influx equaled outflow, before the Industrial Revolution. Currently, it is no longer a steady state system because the

  20. First Proof of Ferromagnetic Carbon

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

    Administration Plutonium Bomb Successfully Tested First Plutonium Bomb Successfully Tested Los Alamos, NM Los Alamos scientists successfully test a plutonium implosion bomb in the Trinity shot at Alamogordo, New Mexico

    Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to prove that pure carbon can be magnetized have remained unconvincing. However, using a proton beam

  1. DEUTERATED MOLECULES IN ORION KL FROM HERSCHEL/HIFI

    SciTech Connect (OSTI)

    Neill, Justin L.; Crockett, Nathan R.; Bergin, Edwin A.; Pearson, John C.; Xu, Li-Hong

    2013-11-10

    We present a comprehensive study of the deuterated molecules detected in the fullband HIFI survey of the Orion Kleinmann-Low nebula (Orion KL) region. Ammonia, formaldehyde, and methanol and their singly deuterated isotopologues are each detected through numerous transitions in this survey with a wide range in optical depths and excitation conditions. In conjunction with a recent study of the abundance of HDO and H{sub 2}O in Orion KL, this study yields the best constraints on deuterium fractionation in an interstellar molecular cloud to date. As previous studies have found, both the Hot Core and Compact Ridge regions within Orion KL contain significant abundances of deuterated molecules, suggesting an origin in cold grain mantles. In the Hot Core, we find that ammonia is roughly a factor of two more fractionated than water. In the Compact Ridge, meanwhile, we find similar deuterium fractionation in water, formaldehyde, and methanol, with D/H ratios of (2-8) 10{sup 3}. The [CH{sub 2}DOH]/[CH{sub 3}OD] ratio in the Compact Ridge is found to be 1.2 0.3. The Hot Core generally has lower deuterium fractionation than the Compact Ridge, suggesting a slightly warmer origin, or a greater contribution from warm gas phase chemistry.

  2. Carbon-assisted flyer plates

    DOE Patents [OSTI]

    Stahl, David B.; Paisley, Dennis L.

    1994-01-01

    A laser driven flyer plate utilizing an optical fiber connected to a laser. The end of the optical fiber has a layer of carbon and a metal layer deposited onto it. The carbon layer provides the laser induced plasma which is superior to the plasma produced from most metals. The carbon layer plasma is capable of providing a flatter flyer plate, converting more of the laser energy to driving plasma, promoting a higher flyer plate acceleration, and providing a more uniform pulse behind the plate. In another embodiment, the laser is in optical communication with a substrate onto which a layer of carbon and a layer of metal have been deposited.

  3. Carbon Sequestration Atlas IV Video

    ScienceCinema (OSTI)

    Rodosta, Traci

    2014-06-27

    The Carbon Sequestration Atlas is a collection of all the storage sites of CO2 such as, petroleum, natural gas, coal, and oil shale.

  4. Carbonate Deposition | Open Energy Information

    Open Energy Info (EERE)

    Alteration Products Carbonate deposits come in many forms and sometimes develop into spectacular colorful terraces such as these at Mammoth Hot Springs in Yellowstone National...

  5. Carbon Sequestration Atlas IV Video

    SciTech Connect (OSTI)

    Rodosta, Traci

    2013-04-19

    The Carbon Sequestration Atlas is a collection of all the storage sites of CO2 such as, petroleum, natural gas, coal, and oil shale.

  6. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the scanning transmission x-ray microscope at ALS Beamline 11.0.2 provided

  7. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the scanning transmission x-ray microscope at ALS Beamline 11.0.2 provided

  8. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the scanning transmission x-ray microscope at ALS Beamline 11.0.2 provided

  9. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the scanning transmission x-ray microscope at ALS Beamline 11.0.2 provided

  10. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the scanning transmission x-ray microscope at ALS Beamline 11.0.2 provided

  11. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the scanning transmission x-ray microscope at ALS Beamline 11.0.2 provided

  12. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure carbon to be magnetic, but for more than ten years scientists have suspected that carbon can be made to be magnetic by doping it with nonmagnetic materials, changing its order ever so slightly. Years ago, the first x-ray images obtained using the scanning transmission x-ray microscope at ALS Beamline 11.0.2 provided

  13. Carbon Stars | Open Energy Information

    Open Energy Info (EERE)

    Stars Jump to: navigation, search Name: Carbon Stars Place: Netherlands Sector: Services Product: General Financial & Legal Services ( Private family-controlled ) References:...

  14. DETECTION OF FeCN (X {sup 4}{Delta}{sub i} ) IN IRC+10216: A NEW INTERSTELLAR MOLECULE

    SciTech Connect (OSTI)

    Zack, L. N.; Halfen, D. T.; Ziurys, L. M.

    2011-06-01

    A new interstellar molecule, FeCN (X {sup 4}{Delta}{sub i} ), has been detected in the envelope of the carbon-rich asymptotic giant branch star, IRC+10216. This work is the first definitive detection of an iron-bearing molecule in the interstellar medium and is based on newly measured rest frequencies. Eight successive rotational transitions of this linear free radical in the lowest spin ladder, {Omega} = 7/2, were observed at 2 and 3 mm using the Arizona Radio Observatory (ARO) 12 m telescope. Three transitions appear as single, unblended features at the 1-2 mK level and exhibit characteristic IRC+10216 line profiles; one had previously been observed with the IRAM 30 m telescope. Two other transitions are partially blended, but exhibit distinct emission at the FeCN frequencies. The remaining transitions are either completely contaminated, or are too high in energy. Comparison of the ARO and IRAM data suggests a source size for FeCN of {approx}30'' in IRC+10216, indicating an outer shell distribution, as expected for a free radical. The column density derived for FeCN is N{sub tot} = 8.6 x 10{sup 11} cm{sup -2} with a rotational temperature of T{sub rot} = 21 K. The fractional abundance of this molecule is [FeCN]/[H{sub 2}] {approx} 2-7 x 10{sup -10}-comparable to that of MgCN and KCN in IRC+10216. FeCN is likely formed by gas-phase reactions of Fe{sup +} or neutral iron; the latter has a significant gas-phase abundance in the outer shell. The detection of FeCN is further evidence that metal cyanides/isocyanides dominate the chemistry of refractory elements in IRC+10216.

  15. Carbon dioxide and climate

    SciTech Connect (OSTI)

    Not Available

    1990-10-01

    Scientific and public interest in greenhouse gases, climate warming, and global change virtually exploded in 1988. The Department's focused research on atmospheric CO{sub 2} contributed sound and timely scientific information to the many questions produced by the groundswell of interest and concern. Research projects summarized in this document provided the data base that made timely responses possible, and the contributions from participating scientists are genuinely appreciated. In the past year, the core CO{sub 2} research has continued to improve the scientific knowledge needed to project future atmospheric CO{sub 2} concentrations, to estimate climate sensitivity, and to assess the responses of vegetation to rising concentrations of CO{sub 2} and to climate change. The Carbon Dioxide Research Program's goal is to develop sound scientific information for policy formulation and governmental action in response to changes of atmospheric CO{sub 2}. The Program Summary describes projects funded by the Carbon Dioxide Research Program during FY 1990 and gives a brief overview of objectives, organization, and accomplishments.

  16. Carbonation Mechanism of Reservoir Rock by Supercritical Carbon Dioxide

    Broader source: Energy.gov [DOE]

    Project Objectives: Elucidate comprehensively the carbonation reaction mechanisms between supercritical carbon dioxide (scCO2) and reservoir rocks consisting of different mineralogical compositions in aqueous and non-aqueous environments at temperatures of up to 250ºC, and to develop chemical modeling of CO2-reservior rock interactions.

  17. Carbon Fiber Technology Facility | Department of Energy

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

    Carbon Fiber Technology Facility Carbon Fiber Technology Facility 2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon lm003_warren_2012_o.pdf More Documents & Publications Carbon Fiber Technology Facility Carbon Fiber Pilot Plant and Research Facilities Vehicle Technologies Office Merit Review 2014: Carbon Fiber Technology Facility

  18. Solar Fuels and Carbon Cycle 2.0 (Carbon Cycle 2.0) (Conference...

    Office of Scientific and Technical Information (OSTI)

    Solar Fuels and Carbon Cycle 2.0 (Carbon Cycle 2.0) Citation Details In-Document Search Title: Solar Fuels and Carbon Cycle 2.0 (Carbon Cycle 2.0) Paul Alivisatos, LBNL Director...

  19. Ethane/Ethylene Exports

    Gasoline and Diesel Fuel Update (EIA)

    70 65 60 51 68 66 1981-2015 East Coast (PADD 1) 1981-1992 Midwest (PADD 2) 70 65 60 51 68 66 1981-2015 Gulf Coast (PADD 3) 1981-1992 Rocky Mountain (PADD 4) 1989-1992 West Coast...

  20. Core Carbon Group AS CCG | Open Energy Information

    Open Energy Info (EERE)

    Carbon Group AS CCG Jump to: navigation, search Name: Core Carbon Group AS (CCG) Place: Copenhagen, Denmark Zip: DK-1074 Sector: Carbon Product: The Core Carbon Group (formerly...