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)

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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. Highly selective plasma-activated copper catalysts for carbon dioxide reduction to ethylene

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

    Mistry, Hemma; Varela, Ana Sofia; Bonifacio, Cecile S.; Zegkinoglou, Ioannis; Sinev, Ilya; Choi, Yong-Wook; Kisslinger, Kim; Stach, Eric A.; Yang, Judith C.; Strasser, Peter; et al

    2016-06-30

    There is an urgent need to develop technologies that use renewable energy to convert waste products such as carbon dioxide into hydrocarbon fuels. Carbon dioxide can be electrochemically reduced to hydrocarbons over copper catalysts, although higher efficiency is required. We have developed oxidized copper catalysts displaying lower overpotentials for carbon dioxide electroreduction and record selectivity towards ethylene (60%) through facile and tunable plasma treatments. Herein we provide insight into the improved performance of these catalysts by combining electrochemical measurements with microscopic and spectroscopic characterization techniques. Operando X-ray absorption spectroscopy and cross-sectional scanning transmission electron microscopy show that copper oxides aremore » surprisingly resistant to reduction and copper+ species remain on the surface during the reaction. Furthermore, our results demonstrate that the roughness of oxide-derived copper catalysts plays only a partial role in determining the catalytic performance, while the presence of copper+ is key for lowering the onset potential and enhancing ethylene selectivity.« less

  8. 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.

  9. Combined Quantum Chemical/Raman Spectroscopic Analyses of Li+ Cation Solvation: Cyclic Carbonate Solvents - Ethylene Carbonate and Propylene Earbonate

    SciTech Connect (OSTI)

    Allen, Joshua L.; Borodin, Oleg; Seo, D. M.; Henderson, Wesley A.

    2014-12-01

    Combined computational/Raman spectroscopic analyses of ethylene carbonate (EC) and propylene carbonate (PC) solvation interactions with lithium salts are reported. It is proposed that previously reported Raman analyses of (EC)n-LiX mixtures have utilized faulty assumptions. In the present studies, density functional theory (DFT) calculations have provided corrections in terms of both the scaling factors for the solvent's Raman band intensity variations and information about band overlap. By accounting for these factors, the solvation numbers obtained from two different EC solvent bands are in excellent agreement with one another. The same analysis for PC, however, was found to be quite challenging. Commercially available PC is a racemic mixture of (S)- and (R)-PC isomers. Based upon the quantum chemistry calculations, each of these solvent isomers may exist as multiple conformers due to a low energy barrier for ring inversion, making deconvolution of the Raman bands daunting and inherently prone to significant error. Thus, Raman spectroscopy is able to accurately determine the extent of the EC...Li+ cation solvation interactions using the provided methodology, but a similar analysis of PC...Li+ cation solvation results in a significant underestimation of the actual solvation numbers.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  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. 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

  19. Recovery and purification of ethylene

    SciTech Connect (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.

  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. Intermolecular potential energy surface and thermophysical properties of ethylene oxide

    SciTech Connect (OSTI)

    Crusius, Johann-Philipp Hassel, Egon; Hellmann, Robert; Bich, Eckard

    2014-10-28

    A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C{sub 2}H{sub 4}O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide.

  2. 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.

  3. 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.

  4. 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.

  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. Molecule nanoweaver

    DOE Patents [OSTI]

    Gerald, II; Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  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. 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.

  9. 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.

  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. Novel membrane technology for green ethylene production. (Conference...

    Office of Scientific and Technical Information (OSTI)

    technology for green ethylene production. Ethylene is currently produced by pyrolysis of ethane in the presence of steam. This reaction requires substantial energy input, and the ...

  12. 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...

  13. 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.

  14. 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

  15. 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...

  16. Selective adsorption of ethylene over ethane and propylene over...

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

    ethylene over ethane and propylene over propane in the metal-organic frameworks M2(dobdc) ... of ethylene-ethane and propylene-propane mixtures could potentially be realized ...

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

    Office of Scientific and Technical Information (OSTI)

    Spring Meeting held May 12-17, 2013 in Toronto, ON, CA.; Related Information: Proposed for presentation at the Electrochemical Society Spring Meeting held May 12-17, 2013 in ...

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. 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...

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Producing Transportation Fuels via Photosynthetically-derived Ethylene

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

    3, 2015 Technology Area Review: Algae Principal Investigator: Jianping Yu DOE Bioenergy Technologies Office (BETO) 2015 Project Peer Review Producing Transportation Fuels via Photosynthetically- derived Ethylene This presentation does not contain any proprietary, confidential, or otherwise restricted information Goal Statement To develop a novel photosynthetic ethylene production technology using cyanobacteria. This technology has potential to produce biofuels and green chemicals (1) at cost

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. Los Alamos scientists detect and track single molecules with nanoscale

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

    carbon cylinders Nanotube "glowsticks" transform surface science tool kit Los Alamos scientists detect and track single 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 10, 2012 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

  16. 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).

  17. Sum frequency generation vibrational spectroscopy studies of adsorbates on Pt(111): Studies of CO at high pressures and temperatures, coadsorbed with olefins and its role as a poison in ethylene hydrogenation

    SciTech Connect (OSTI)

    Kung, Kyle Yi

    2000-12-31

    High pressure high temperature CO adsorption and coadsorption with ethylene and propylene on Pt(111) was monitored in situ with infrared-visible sum frequency generation (SFG). At high pressures and high temperatures, CO dissociates on a Pt(111) surface to form carbon. At 400 torr CO pressure and 673K, CO modifies the Pt(111) surface through a carbonyl intermediate, and dissociates to leave carbon on the surface. SFG was used to follow the CO peak evolution from monolayer adsorption in ultra high vacuum (UHV) to 400 torr CO pressure. At this high pressure, a temperature dependence study from room temperature to 823K was carried out. Auger electron spectroscopy was used to identify carbon on the surface CO coadsorption with ethylene and CO coadsorption with propylene studies were carried out with 2-IR 1-visible SFG. With this setup, two spectral ranges covering the C-H stretch range and the CO stretch range can be monitored simultaneously. The coadsorption study with ethylene reveals that after 5L ethylene exposure on a Pt(111) surface to form ethylidyne , CO at high pressures cannot completely displace the ethylidyne from the surface. Instead, CO first adsorbs on defect sites at low pressures and then competes with ethylidyne for terrace sites at high pressures. Propylene coadsorption with CO at similar conditions shows that propylidyne undergoes conformation changes with increased CO pressure and at 1 torr, is absent from the Pt(111) surface. Experiments on CO poisoning of ethylene hydrogenation was carried by 2-IR 1-visible SFG. At 1 torr CO,10 torr ethylene and 100 torr hydrogen, CO was found to block active sites necessary for ethylene hydrogenation, Above 425K, CO desorbs from the surface to allow ethylene hydrogenation to occur. The gas phase species were monitored by gas chromatography.

  18. 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...

  19. 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 ...

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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)

  5. 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.

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. [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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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 Energy Defense Waste Management Programs Advanced

  3. Method and apparatus for recovering hydrogen from a feed comprising methane, ethylene, hydrogen and acetylene

    SciTech Connect (OSTI)

    O'Reilly, R.

    1985-01-08

    Hydrogen is recovered from a feed comprising methane, ethylene, hydrogen and acetylene by first cooling the feed and then scrubbing the cooled feed with a scrubbing liquid selected from the group consisting of liquid ethylene, liquid propane, liquid ethane and mixtures thereof to remove substantially all the acetylene. The scrubbed gas is then further cooled to condense the methane and ethylene leaving gaseous hydrogen as product.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. 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...

  11. Ethylene-Vinyl Acetate Potential Problems for Photovoltaic Packaging: Preprint

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

    Ethylene-Vinyl Acetate Potential Problems for Photovoltaic Packaging Preprint M.D. Kempe, G.J. Jorgensen, K.M. Terwilliger, T.J. McMahon, and C.E. Kennedy National Renewable Energy Laboratory T.T. Borek Sandia National Laboratories Presented at the 2006 IEEE 4 th World Conference on Photovoltaic Energy Conversion (WCPEC-4) Waikoloa, Hawaii May 7-12, 2006 Conference Paper NREL/CP-520-39915 May 2006 NOTICE The submitted manuscript has been offered by an employee of the Midwest Research Institute

  12. In-pore exchange and diffusion of carbonate solvent mixtures in nanoporous carbon

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

    Alam, Todd M.; Osborn Popp, Thomas M.

    2016-06-04

    High resolution magic angle spinning (HRMAS) 1H NMR spectroscopy has been used to resolve different surface and in-pore solvent environments of ethylene carbonate (EC) and dimethyl carbonate (DMC) mixtures absorbed within nanoporous carbon (NPC). Two dimensional (2D) 1H HRMAS NMR exchange measurements revealed that the inhomogeneous broadened in-pore resonances have pore-to-pore exchange rates on the millisecond timescale. Pulsed-field gradient (PFG) NMR diffusometry revealed the in-pore self-diffusion constants for both EC and DMC were reduced by up to a factor of five with respect to the diffusion in the non-absorbed solvent mixtures.

  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. 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.

  16. 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

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Rheological profile of boron nitride–ethylene glycol nanofluids

    SciTech Connect (OSTI)

    Żyła, Gaweł; Witek, Adam; Gizowska, Magdalena

    2015-01-07

    The paper presents the complete rheological profile of boron nitride (BN)–ethylene glycol (EG) nanofluids. Nanofluids have been produced by two-step method on the basis of commercially available powder of plate-like grains of nanometrical thickness. Viscoelastic structure has been determined in oscillatory measurements at a constant frequency and temperature. Viscosity and flow curves for these materials have been measured. Studies have shown that the Carreau model can be used for the modeling of dynamic viscosity curves of the material. The samples were tested for the presence of thixotropy. The dependence of viscosity on temperature was also examined. The effect of temperature on the dynamic viscosity of BN-EG nanofluids can be modelled with the use of Vogel-Fulcher-Tammann expression.

  9. 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.

  10. Interaction between hydrogen molecules and metallofullerenes...

    Office of Scientific and Technical Information (OSTI)

    Interaction between hydrogen molecules and metallofullerenes. Citation Details In-Document Search Title: Interaction between hydrogen molecules and metallofullerenes. Within ...

  11. 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.

  12. 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 ...

  13. 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): ...

  14. 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.

  15. An Investigation on an Ethylene Gylcol/Water Nanofluid for Heavy Vehicle

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

    Cooling Applications | Department of Energy An Investigation on an Ethylene Gylcol/Water Nanofluid for Heavy Vehicle Cooling Applications An Investigation on an Ethylene Gylcol/Water Nanofluid for Heavy Vehicle Cooling Applications Use of nanofluids can help reduce radiator frontal area for heavy-duty vehicles and improves fuel efficiency. deer08_singh.pdf (357.2 KB) More Documents & Publications Erosion of Radiator Materials by Nanofluids Overview of Thermal Management Nanofluids for

  16. 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

  17. Poly(ethylene oxide)-Assisted Macromolecular Self-Assembly of Lignin in ABS Matrix for Sustainable Composite Applications

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

    Akato, Kokouvi M.; Tran, Chau D.; Chen, Jihua; Naskar, Amit K.

    2015-11-05

    Here we report the compatibilization of biomass-derived lignin polymer in acrylonitrile butadiene styrene (ABS) thermoplastic matrix without loss of mechanical properties via poly(ethylene oxide) (PEO)-mediated macromolecular self-assembly. ABS was blended with lignin in different concentrations, and blends with 10 wt % PEO (relative to lignin) were prepared. The relative tensile strength improved slightly at low lignin content but diminished rapidly as the lignin content was increased. However, the inclusion of PEO as an interfacial adhesion promoter helped avoid deleterious effects. Dynamic mechanical analysis showed that PEO plasticized the hard phase and thus lowered the activation energy (Ea) for its relaxationmore » but caused stiffening of the soft phase and increased its Ea. Microscopy revealed that incorporating lignin in ABS led to the statistical dispersion of discrete lignin domains (300–1000 nm) which, after PEO addition, were reduced to smaller interconnected particles (200–500 nm). The lignin-extended partially renewable ABS resins showed shear-thinning behavior and reduced viscosity compared to neat ABS. The preferred lignin-loaded compositions reinforced with 20 vol % chopped carbon fibers exhibited mechanical performances (77–80 MPa) equivalent to those of reinforced ABS materials reportedly used in 3D printing applications. In conclusion, this approach could lower the cost of ABS while reducing its carbon footprint.« less

  18. Poly(ethylene oxide)-Assisted Macromolecular Self-Assembly of Lignin in ABS Matrix for Sustainable Composite Applications

    SciTech Connect (OSTI)

    Akato, Kokouvi M.; Tran, Chau D.; Chen, Jihua; Naskar, Amit K.

    2015-11-05

    Here we report the compatibilization of biomass-derived lignin polymer in acrylonitrile butadiene styrene (ABS) thermoplastic matrix without loss of mechanical properties via poly(ethylene oxide) (PEO)-mediated macromolecular self-assembly. ABS was blended with lignin in different concentrations, and blends with 10 wt % PEO (relative to lignin) were prepared. The relative tensile strength improved slightly at low lignin content but diminished rapidly as the lignin content was increased. However, the inclusion of PEO as an interfacial adhesion promoter helped avoid deleterious effects. Dynamic mechanical analysis showed that PEO plasticized the hard phase and thus lowered the activation energy (Ea) for its relaxation but caused stiffening of the soft phase and increased its Ea. Microscopy revealed that incorporating lignin in ABS led to the statistical dispersion of discrete lignin domains (300–1000 nm) which, after PEO addition, were reduced to smaller interconnected particles (200–500 nm). The lignin-extended partially renewable ABS resins showed shear-thinning behavior and reduced viscosity compared to neat ABS. The preferred lignin-loaded compositions reinforced with 20 vol % chopped carbon fibers exhibited mechanical performances (77–80 MPa) equivalent to those of reinforced ABS materials reportedly used in 3D printing applications. In conclusion, this approach could lower the cost of ABS while reducing its carbon footprint.

  19. 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.

  20. 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

  1. 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.

  2. [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.

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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.

  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. 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.

  12. 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.

  13. Carbon Capture

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

    Carbon capture involves the separation of carbon dioxide (CO2) from coal-based power plant ... are not ready for implementation on coal-based power plants because they have not ...

  14. 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.

  15. 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

  16. 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...

  17. 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.

  18. 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.

  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. 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

    2015-01-09

    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.

  1. 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.

  2. 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.

  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. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  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. 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...

  12. Production and Trapping of Ultracold Polar Molecules

    SciTech Connect (OSTI)

    David, DeMille

    2015-04-21

    We report a set of experiments aimed at the production and trapping of ultracold polar molecules. We begin with samples of laser-cooled and trapped Rb and Cs atoms, and bind them together to form polar RbCs molecules. The binding is accomplished via photoassociation, which uses a laser to catalyze the sticking process. We report results from investigation of a new pathway for photoassociation that can produce molecules in their absolute ground state of vibrational and rotational motion. We also report preliminary observations of collisions between these ground-state molecules and co-trapped atoms.

  13. 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...

  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. 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 ...

  16. 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...

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Carbon Capture

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

    Capture Fact Sheet 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 Office of Research and Development (NETL-ORD), in collaboration with researchers

  4. 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

  5. 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.

  6. 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)

  7. Poly(ethylene terephthalate) surface modification by deep UV (172 nm) irradiation

    SciTech Connect (OSTI)

    Zhengmao Zhua; Michael J. Kelley

    2004-09-01

    The prospects of obtaining desired surface-mediated characteristics while retaining bulk-mediated physical properties and avoiding potential environmental issues with wet chemical technology lends considerable appeal to photochemical approaches. We investigated the response of poly(ethylene terephthalate) to 172 nm UV from a xenon excimer lamp in the absence of oxygen, using XPS, ToF/SIMS, and AFM. The main effects are increasing loss of a C=O moiety and carboxylic acid production without effect on topography up to a total fluence of 16 J/cm2. Above this level no further change in surface chemistry was evident, but surfaces became rougher, suggesting the onset of etching.

  8. 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.

  9. 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...

  10. 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...

  11. 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 ...

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

    SciTech Connect (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.

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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).

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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...

  4. 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.

  5. 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

  6. 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

  7. 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 ...

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

    SciTech Connect (OSTI)

    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 and 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.

  9. 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.

  10. Researchers use light to create rare uranium molecule

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

    Rare uranium molecule Researchers use light to create rare uranium molecule Uranium nitride materials show promise as advanced nuclear fuels due to their high density, high ...

  11. [alpha]E-catenin is an autoinhibited molecule that coactivates...

    Office of Scientific and Technical Information (OSTI)

    alphaE-catenin is an autoinhibited molecule that coactivates vinculin Citation Details In-Document Search Title: alphaE-catenin is an autoinhibited molecule that coactivates ...

  12. 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...

  13. Understanding Small-Molecule Interactions in Metal-Organic Frameworks...

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

    Understanding Small-Molecule Interactions in Metal-Organic Frameworks: Coupling Experiment ... guest molecules and the internal surface of the framework must first be understood. ...

  14. 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...

  15. Adsorption of Organic Molecules May Explain Growth of Newly Nucleated...

    Office of Scientific and Technical Information (OSTI)

    Adsorption of Organic Molecules May Explain Growth of Newly Nucleated Clusters and New Particle Formation Citation Details In-Document Search Title: Adsorption of Organic Molecules ...

  16. 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 ...

  17. Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt...

    Office of Scientific and Technical Information (OSTI)

    Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt surfaces Prev Next Title: Adsorption of tris(8-hydroxyquinoline)aluminum molecules on cobalt surfaces ...

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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).

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 2.8 A New Class of Carbon Structures

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

    4 6/1/2011 2.8 A New Class of Carbon Structures Several lines of research-in spectroscopy, astronomy, and metallic clusters-converged in 1985 to lead to the discovery of an unusual molecule. This cluster of 60 carbon atoms was especially stable because of its hollow, icosahedral structure in which the bonds between the atoms resembled the patterns on a soccer ball. The molecule was named Buckminsterfullerene after the geodesic domes designed by architect Buckminster Fuller. The identification of

  14. An unusual carbon-carbon bond cleavage reaction during phosphinothrici...

    Office of Scientific and Technical Information (OSTI)

    An unusual carbon-carbon bond cleavage reaction during phosphinothricin biosynthesis Citation Details In-Document Search Title: An unusual carbon-carbon bond cleavage reaction ...

  15. 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.

  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. 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

  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 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

  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. 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

  6. 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

  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. 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...

  12. 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.

  13. Steam Reforming of Ethylene Glycol over MgAl₂O₄ Supported Rh, Ni, and Co Catalysts

    SciTech Connect (OSTI)

    Mei, Donghai; Lebarbier, Vanessa M.; Xing, Rong; Albrecht, Karl O.; Dagle, Robert A.

    2015-11-25

    Steam reforming of ethylene glycol (EG) over MgAl₂O₄ supported metal (15 wt.% Ni, 5 wt.% Rh, and 15 wt.% Co) catalysts were investigated using combined experimental and theoretical methods. Compared to highly active Rh and Ni catalysts with 100% conversion, the steam reforming activity of EG over the Co catalyst is comparatively lower with only 42% conversion under the same reaction conditions (500°C, 1 atm, 119,000 h⁻¹, S/C=3.3 mol). However, CH₄ selectivity over the Co catalyst is remarkably lower. For example, by varying the gas hour space velocity (GHSV) such that complete conversion is achieved for all the catalysts, CH₄ selectivity for the Co catalyst is only 8%, which is much lower than the equilibrium CH₄ selectivity of ~ 24% obtained for both the Rh and Ni catalysts. Further studies show that varying H₂O concentration over the Co catalyst has a negligible effect on activity, thus indicating zero-order dependence on H₂O. These experimental results suggest that the supported Co catalyst is a promising EG steam reforming catalyst for high hydrogen production. To gain mechanistic insight for rationalizing the lower CH₃ selectivity observed for the Co catalyst, the initial decomposition reaction steps of ethylene glycol via C-O, O-H, C-H, and C-C bond scissions on the Rh(111), Ni(111) and Co(0001) surfaces were investigated using density functional theory (DFT) calculations. Despite the fact that the bond scission sequence in the EG decomposition on the three metal surfaces varies, which leads to different reaction intermediates, the lower CH₄ selectivity over the Co catalyst, as compared to the Rh and Ni catalysts, is primarily due to the higher barrier for CH₄ formation. The higher S/C ratio enhances the Co catalyst stability, which can be elucidated by the facile water dissociation and an alternative reaction path to remove the CH species as a coking precursor via the HCOH formation. This work was financially supported by the United

  14. 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.

  15. Forest Carbon Cycle

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

    forest carbon cycle Forest Carbon Cycle Terrestrial carbon stocks above- and belowground (in humus and litter layers, woody debris, and mineral soil) are not only sensitive to physical environmental controls (e.g., temperature, precipitation, soil moisture) but also to land use history/management, disturbance, "quality" of carbon input (a reflection of plant carbon allocation and species controls), and the microbial community. The relative importance of these controls on soil carbon

  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 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/

  18. 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.

  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. 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.

  1. Effect of incorporation of ethylene glycol into PEDOT:PSS on electron phonon coupling and conductivity

    SciTech Connect (OSTI)

    Lin, Yow-Jon Ni, Wei-Shih; Lee, Jhe-You

    2015-06-07

    The effect of incorporation of ethylene glycol (EG) into poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) on electron phonon coupling and conductivity is investigated. It is shown that the carrier density (N{sub C}) increases significantly and the carrier mobility (μ) increases slightly at 300 K. The increased intensity of the Raman spectrum between 1400 and 1450 cm{sup −1}, following EG treatment (that is, the quinoid-dominated structures of the PEDOT chain), leads to an increase in the number of polarons (bipolarons), which leads to an increase in N{sub C}. In addition, μ in PEDOT:PSS samples with or without EG addition exhibits a strong temperature dependence, which demonstrates the dominance of tunneling (hopping) at low (high) temperatures. The high conductivity of PEDOT:PSS samples with the addition of EG is attributed to the combined effect of the modification of the electron-phonon coupling and the increase in N{sub C} (μ)

  2. 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.

  3. Fabrication of carbon nanotube nanogap electrodes by helium ion sputtering for molecular contacts

    SciTech Connect (OSTI)

    Thiele, Cornelius; Vieker, Henning; Beyer, André; Gölzhäuser, Armin; Flavel, Benjamin S.; Hennrich, Frank; Muñoz Torres, David; Eaton, Thomas R.; Mayor, Marcel; Kappes, Manfred M.; Löhneysen, Hilbert v.; and others

    2014-03-10

    Carbon nanotube nanogaps have been used to contact individual organic molecules. However, the reliable fabrication of a truly nanometer-sized gap remains a challenge. We use helium ion beam lithography to sputter nanogaps of only (2.8 ± 0.6) nm size into single metallic carbon nanotubes embedded in a device geometry. The high reproducibility of the gap size formation provides a reliable nanogap electrode testbed for contacting small organic molecules. To demonstrate the functionality of these nanogap electrodes, we integrate oligo(phenylene ethynylene) molecular rods, and measure resistance before and after gap formation and with and without contacted molecules.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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...

  10. Materials Project Releases Massive Trove of Battery and Molecule...

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

    Materials Project Releases Massive Trove of Battery and Molecule Data Materials Project Releases Massive Trove of Battery and Molecule Data June 8, 2016 Julie Chao, JHChao@lbl.gov, ...