Sample records for molecule ethylene carbonate

  1. Fumigation with the Liquid Fumigants Carbon Tetrachloride, Ethylene Dichloride and Ethylene Dibromide 

    E-Print Network [OSTI]

    Anonymous

    1966-01-01T23:59:59.000Z

    Fumigation with the Liquid Fumigants Carbon Tetrachloride, Ethylene Dichloride and Ethylene Dibromide...

  2. Terpolymerization of ethylene, sulfur dioxide and carbon monoxide

    DOE Patents [OSTI]

    Johnson, Richard (Shirley, NY); Steinberg, Meyer (Huntington Station, NY)

    1981-01-01T23:59:59.000Z

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

    SciTech Connect (OSTI)

    Shao, Dahai

    2013-05-15T23:59:59.000Z

    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)-7×7 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)-7×7, as well as the interaction of oxygen with Ag/NiAl(110) are also important parts of this study.

  4. Carbon-hydrogen bond activation and carbon-carbon bond formation in the reaction between ethylene and hexaisopropoxyditungsten

    SciTech Connect (OSTI)

    Chisholm, M.H.; Hampden-Smith, M.

    1987-09-16T23:59:59.000Z

    Ethylene reacts with certain metal surfaces to give a capping (..mu../sub 3/) ethylidyne ligand. In triosmium carbonyl chemistry ethylene has been shown to undergo successive C-H activation to give a ..mu..-sigma,..pi..-vinyl and a ..mu..-vinylidene ligand. A similar reaction sequence has been reported by Puddephatt and co-workers in the addition of ethyne to a hydrido triangulo platinum complex. The authors have repeatedly emphasized the relationships, both structural and chemical, between reduced metal oxides of molybdenum and tungsten and smaller alkoxide clusters and their larger (closo) counterparts. For example, the square-Mo/sub 4/Cl/sub 4/(O-i-Pr)/sub 4/ and butterfly-Mo/sub 4/Br/sub 4/(O-i-Pr)/sub 2/ molecules are arachno subunits of the M/sub 6/(..mu../sub 3/-X)/sub 8/ cluster unit, and W/sub 4/(O-i-Pr)/sub 12/ represents a fragment of the M/sub 6/(..mu../sub 2/-X)/sub 12/ unit. Furthermore the M/sub 4/-alkoxide clusters are formed from the coupling of M/sub 2/ alkoxides by steric control in the choice of the OR group. Indeed the authors have established that an equilibrium exists between W/sub 4/(O-i-Pr)/sub 12/ and W/sub 2/(O-i-Pr)/sub 6/. One of the authors hypotheses is that these small unsaturated alkoxide cluster units may provide models for active sites on reduced metal oxide surfaces. They describe here the observation of the activation of ethylene by W/sub 2/(O-i-Pr)/sub 6/ under extremely mild conditions.

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

    SciTech Connect (OSTI)

    Chen, Guoying; Zhuang, Guorong V.; Richardson, Thomas J.; Gao, Liu; Ross Jr., Philip N.

    2005-02-28T23:59:59.000Z

    A study of the anodic oxidation of vinyl ethylene carbonate (VEC) was conducted with post-mortem analysis of reaction products by ATR-FTIR and gel permeation chromatography (GPC). The half-wave potential (E1/2) 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 anodization of a commercial Li-ion battery electrolyte containing 2 percent VEC at 4.1 V showed the presence of a high molecular weight polymer. IR analysis indicated polycarbonate with alkyl carbonate rings linked by aliphatic methylene and methyl branches.

  6. Effects of {pi}-stacking interactions on the near carbon K-edge x-ray absorption fine structure: A theoretical study of the ethylene pentamer and the phthalocyanine dimer

    SciTech Connect (OSTI)

    Linares, Mathieu; Stafstroem, Sven; Norman, Patrick [Department of Physics, Chemistry and Biology, Linkoeping University, SE-581 83 Linkoeping (Sweden)

    2009-03-14T23:59:59.000Z

    X-ray absorption spectra have been determined for ethylene and free base phthalocyanine at the carbon K-edge with use of the complex polarization propagator method combined with Kohn-Sham density functional theory and the Coulomb attenuated method B3LYP exchange-correlation functional. Apart from isolated molecules, the study includes {pi}-stacked systems of the phthalocyanine dimer and the ethylene dimer, trimer, tetramer, and pentamer. For ethylene, {pi}-stacking involves a reduction in transition energy of the valence {pi}*-band by some 70 meV and large spectral changes (regarding also shape and intensity) of the Rydberg bands. For phthalocyanine, there are large spectral changes in the entire valence {pi}*-part of the spectrum.

  7. Thermal conductivity studies of metal dispersed multiwalled carbon nanotubes in water and ethylene glycol based nanofluids

    SciTech Connect (OSTI)

    Jha, Neetu; Ramaprabhu, S. [Department of Physics, Alternative Energy and Nanotechnology Laboratory (AENL), Nano Functional Materials Technology Centre (NFMTC), Indian Institute of Technology Madras, Chennai 600036 (India)

    2009-10-15T23:59:59.000Z

    High thermal conducting metal nanoparticles have been dispersed on the multiwalled carbon nanotubes (MWNTs) outer surface. Structural and morphological characterizations of metal dispersed MWNTs have been carried out using x-ray diffraction analysis, high resolution transmission electron microscopy, energy dispersive x-ray analysis, and Fourier transform infrared spectroscopy. Nanofluids have been synthesized using metal-MWNTs in de-ionized water (DI water) and ethylene glycol (EG) base fluids. It has been observed that nanofluids maintain the same sequence of thermal conductivity as that of metal nanoparticles Ag-MWNTs>Au-MWNTs>Pd-MWNTs. A maximum enhancement of 37.3% and 11.3% in thermal conductivity has been obtained in Ag-MWNTs nanofluid with DI water and EG as base fluids, respectively, at a volume fraction of 0.03%. Temperature dependence study also shows enhancement of thermal conductivity with temperature.

  8. 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.

    2014-12-01T23:59:59.000Z

    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.

  9. A Study of Electrochemical Reduction of Ethylene and PropyleneCarbonate Electrolytes on Graphite Using ATR-FTIR Spectroscopy

    SciTech Connect (OSTI)

    Zhuang, Guorong V.; Yang, Hui; Blizanac, Berislav; Ross Jr.,Philip N.

    2005-05-12T23:59:59.000Z

    We present results testing the hypothesis that there is a different reaction pathway for the electrochemical reduction of PC versus EC-based electrolytes at graphite electrodes with LiPF6 as the salt in common. We examined the reduction products formed using ex-situ Fourier Transform Infrared (FTIR) spectroscopy in attenuated total reflection (ATR) geometry. The results show the pathway for reduction of PC leads nearly entirely to lithium carbonate as the solid product (and presumably ethylene gas as the co-product) while EC follows a path producing a mixture of organic and inorganic compounds. Possible explanations for the difference in reaction pathway are discussed.

  10. Effects of ozone exposure on 'Golden' papaya fruit by photoacoustic phase-resolved method: Physiological changes associated with carbon dioxide and ethylene emission rates during ripening

    SciTech Connect (OSTI)

    Correa, Savio Figueira; Brito Paiva, Luisa; Mota do Couto, Flavio; Gomes da Silva, Marcelo; Silva Sthel, Marcelo; Vargas, Helion [Laboratorio de Ciencias Fisicas, Universidade Estadual do Norte Fluminense Darcy Ribeiro, Avenida Alberto Lamego 2000, Parque California 28013-602, Campos dos Goytacazes, Rio de Janeiro (Brazil); Mota, Leonardo [Laboratorio de Ciencias Fisicas, Universidade Estadual do Norte Fluminense Darcy Ribeiro, Avenida Alberto Lamego 2000, Parque California 28013-602, Campos dos Goytacazes, Rio de Janeiro (Brazil); Fraunhofer Institut fuer Bauphysik, Nobelstrasse 12, Vaihingen 70569, Stuttgart, Baden Wuerttemberg (Germany); Goncalves de Oliveira, Jurandi [Laboratorio de Melhoramento Genetico Vegetal, Universidade Estadual do Norte Fluminense Darcy Ribeiro, Avenida Alberto Lamego 2000, Parque California 28013-602, Campos dos Goytacazes, Rio de Janeiro (Brazil); Miklos, Andras [Fraunhofer Institut fuer Bauphysik, Nobelstrasse 12, Vaihingen 70569, Stuttgart, Baden Wuerttemberg (Germany)

    2011-06-01T23:59:59.000Z

    This work addresses the effects of ozone activity on the physiology of 'Golden' papaya fruit. Depth profile analysis of double-layer biological samples was accomplished using the phase-resolved photoacoustic spectroscopy. The feasibility of the method was demonstrated by singling out the spectra of the cuticle and the pigment layers of papaya fruit. The same approach was used to monitor changes occurring on the fruit during ripening when exposed to ozone. In addition, one has performed real time studies of fluorescence parameters and the emission rates of carbon dioxide and ethylene. Finally, the amount of pigments and the changes in waxy cuticle have been monitored. Results indicate that a fruit deliberately subjected to ozone at a level of 6 ppmv underwent ripening sooner (at least 24-48 h) than a fruit stored at ambient conditions. Moreover, ozone caused a reduction in the maximum quantum yield of photosynthetic apparatus located within the skin of papaya fruit.

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

    SciTech Connect (OSTI)

    Li, Zhiying; Heller, Eric J. [Department of Physics, Harvard University, Cambridge, Massachusetts 02138 (United States); Krems, Roman V. [Department of Chemistry, The University of British Columbia, Vancouver, British Columbia V6T 1Z1 (Canada)

    2014-09-14T23:59:59.000Z

    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.

  12. 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)

    2013-08-20T23:59:59.000Z

    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.

  13. Ethylene insensitive plants

    DOE Patents [OSTI]

    Ecker, Joseph R. (Carlsbad, CA); Nehring, Ramlah (La Jolla, CA); McGrath, Robert B. (Philadelphia, PA)

    2007-05-22T23:59:59.000Z

    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.

  14. On single-molecule DNA sequencing with atomic force microscopy using functionalized carbon nanotube probes

    E-Print Network [OSTI]

    Burns, Daniel James

    2004-01-01T23:59:59.000Z

    A novel DNA sequencing method is proposed based on the specific binding nature of nucleotides and measured by an atomic force microscope (AFM). A single molecule of DNA is denatured and immobilized on an atomically fiat ...

  15. Diffusional Motion of Redox Centers in Carbonate Electrolytes...

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

    The organic solvents were propylene carbonate (PC), ethyl methyl carbonate (EMC) and a ternary mixture that also includes ethylene carbonate (EC). Results from NMR...

  16. Structural opportunities of ETFE (ethylene tetra fluoro ethylene)

    E-Print Network [OSTI]

    Robinson, Leslie A. (Leslie Anne), 1982-

    2005-01-01T23:59:59.000Z

    An exploration of ETFE (ethylene tetra fluoro ethylene) foil cushions was performed in its use for building cladding. ETFE foil cushions consist of alternating layers of ETFE film and air cavities. An inflation system ...

  17. Recovery and purification of ethylene

    DOE Patents [OSTI]

    Reyneke, Rian (Katy, TX); Foral, Michael J. (Aurora, IL); Lee, Guang-Chung (Houston, TX); Eng, Wayne W. Y. (League City, TX); Sinclair, Iain (Warrington, GB); Lodgson, Jeffery S. (Naperville, IL)

    2008-10-21T23:59:59.000Z

    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.

  18. Polymer geometry and Li+ conduction in poly(ethylene oxide)

    E-Print Network [OSTI]

    Averbuch, Amir

    Polymer geometry and Li+ conduction in poly(ethylene oxide) L. Gitelman a , M. Israeli b, , A: Lithium battery Polymer molecule Brownian motion Simulation Conductivity PEO a b s t r a c t We study of the amorphous PE structure is increased by mechanical stretching due to the unraveling of loops in the polymer

  19. Ethylene combustion on unsupported and supported Pd: a comparative , Y.-F. Hana,b

    E-Print Network [OSTI]

    Goodman, Wayne

    Ethylene combustion on unsupported and supported Pd: a comparative study D. Kumara , Y.-F. Hana Ethylene combustion is studied at elevated pressures on Pd(100) and compared with supported Pd catalysts with increasing O2 pressure. The combustion kinetics is related to the corresponding surface carbon coverage

  20. Economical analysis of a new gas to ethylene technology

    E-Print Network [OSTI]

    Abedi, Ali Abdulhamid

    2007-09-17T23:59:59.000Z

    and from coal and heavy oils by synthesis from carbon monoxide and hydrogen. At Texas A&M University, a group of researchers developed a new process that can convert natural gas into liquids (GTL) or to ethylene (GTE). This technology is a direct conversion...

  1. Investigation of the Behavior of Ethylene Molecular Films Using High Resolution Adsorp

    SciTech Connect (OSTI)

    Barbour, Andi M [ORNL; Telling, Mark T. [ISIS Facility, Rutherford Appleton Laboratory; Larese, John Z [ORNL

    2010-01-01T23:59:59.000Z

    The wetting behavior of ethylene adsorbed on MgO(100) was investigated from 83-135 K using high resolution volumetric adsorption isotherms. The results are compared to ethylene adsorption on graphite, a prototype adsorption system, in an effort to gain further insight into the forces that drive the observed film growth. Layering transitions for ethylene on MgO(100) are observed below the bulk triple point of ethylene (T=104.0 K). The formation of three discrete adlayers is observed on the MgO(100) surface; onset of the second and third layers occurs at 79.2 ( 1.3 K and 98.3(0.9 K, respectively. Thermodynamic quantities such as differential enthalpy and entropy, heat of adsorption, and isosteric heat of adsorption are determined and compared to the previously published values for ethylene on graphite. The average area occupied by a ethylene molecule on MgO(100) is 22.6 ( 1.1A 2 molecule-1. The locations of two phase transitions are identified (i.e., layer critical temperatures at Tc2 (n=1) at 108.6 ( 1.7 K and Tc2 (n=2) at 116.5 ( 1.2 K) and a phase diagram is proposed. Preliminary neutron diffraction measurements reveal evidence of a monolayer solid with a lattice constant of 4.2A . High resolution INS measurements show that the onset to dynamical motion and monolayer melting take place at 35 K and 65 K, respectively. The data reported here exhibit a striking similarity to ethylene on graphite which suggests that molecule-molecule interactions play an important role in determining the physical properties and growth of molecularly thin ethylene films.

  2. Statistical mechanics problem sheet 7 1. The main component of Venus's atmosphere, carbon dioxide, is a linear molecule

    E-Print Network [OSTI]

    Dettmann, Carl

    Statistical mechanics problem sheet 7 1. The main component of Venus's atmosphere, carbon dioxide and energy. Show that the system is non-extensive, and find the chemical potential at which system properties

  3. NREL Produces Ethylene via Photosynthesis (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-11-01T23:59:59.000Z

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

  4. 29Counting Atoms in a Molecule The complex molecule Propanal

    E-Print Network [OSTI]

    29Counting Atoms in a Molecule The complex molecule Propanal was discovered in a dense interstellar is the ratio of carbon atoms to hydrogen atoms in propanal? Problem 4 - If the mass of a hydrogen atom of a propanal molecule in AMUs? Problem 5 - What is the complete chemical formula for propanal? C3 H __ O

  5. EthylenePropyleneSilsesquioxane Thermoplastic Elastomers

    E-Print Network [OSTI]

    Ethylene­Propylene­Silsesquioxane Thermoplastic Elastomers Bradley Seurer, E. Bryan Coughlin into ethylene­propylene (EP) polymers have been developed that utilize metallocene polymerization. Analysis of these novel ethylene­propylene­POSS polymers using wide-angle X-ray diffraction reveals that pendant POSS

  6. Electrical conductivities, viscosities, phase diagram, nuclear magnetic resonance spectra and dielectric constants of the liquid binary system ethylene diamine-ethylene glycol

    E-Print Network [OSTI]

    Moore, Timothy Drake

    1976-01-01T23:59:59.000Z

    to the excess thermodynamic work on the same system by Gladden and Ghaffari. The best model for this physical system was to assume a fast proton exchange between a hydrogen bonded aminoethanol-like molecule of 1:1 composition ethylene glycol to ethylene...-base activity could combine with the hydrogen bonding shown in the excess thermodynamic measurements, it was necessary to speculate on the behavior of model systems. The best model for this system appears to be one in which there is a rapid proton exchange...

  7. 1Fractions and Chemistry Because molecules and

    E-Print Network [OSTI]

    1Fractions and Chemistry Because molecules and atoms come in 'integer' packages, the ratios of gasoline (ethane) are combined with 7 molecules of oxygen you get 4 molecules of carbon dioxide and 6;1 Answer Key Problem 1 - What makes your car go: When 2 molecules of gasoline (ethane) are combined with 7

  8. Li+ solvation in pure, binary and ternary mixtures of organic carbonate electrolytes

    E-Print Network [OSTI]

    Skarmoutsos, Ioannis; Vetere, Valentina; Mossa, Stefano

    2014-01-01T23:59:59.000Z

    Classical molecular dynamics (MD) simulations and quantum chemical density functional theory (DFT) calculations have been employed in the present study to investigate the solvation of lithium cations in pure organic carbonate solvents (ethylene carbonate (EC), propylene carbonate (PC) and dimethyl carbonate (DMC)) and their binary (EC-DMC, 1:1 molar composition) and ternary (EC-DMC-PC, 1:1:3 molar composition) mixtures. The results obtained by both methods indicate that the formation of complexes with four solvent molecules around Li+, exhibiting a strong local tetrahedral order, is the most favorable. However, the molecular dynamics simulations have revealed the existence of significant structural heterogeneities, extending up to a length scale which is more than five times the size of the first coordination shell radius. Due to these significant structural fluctuations in the bulk liquid phases, the use of larger size clusters in DFT calculations has been suggested. Contrary to the findings of the DFT calcu...

  9. The catalytic oxidation of ethylene and butenes with air: total aldehyde production and selectivity 

    E-Print Network [OSTI]

    Burns, John Cunningham

    1952-01-01T23:59:59.000Z

    wit!& oxygen. A study of t? o oxidation of ethyl&rue end of ethylene oxide soparetely re- vealed ti'at ti-, o oxidatio&& o. either compound rioldcd carbon dioxido and water directly, "xtensive kinetic studies led to tl. o proposal of a reaction...

  10. The catalytic oxidation of ethylene and butenes with air: total aldehyde production and selectivity

    E-Print Network [OSTI]

    Burns, John Cunningham

    1952-01-01T23:59:59.000Z

    wit!& oxygen. A study of t? o oxidation of ethyl&rue end of ethylene oxide soparetely re- vealed ti'at ti-, o oxidatio&& o. either compound rioldcd carbon dioxido and water directly, "xtensive kinetic studies led to tl. o proposal of a reaction...

  11. Poly(ethylene oxide) functionalization

    DOE Patents [OSTI]

    Pratt, Russell Clayton

    2014-04-08T23:59:59.000Z

    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.

  12. Methods and compositions to modulate ethylene sensitivity

    DOE Patents [OSTI]

    Stepanova, Anna N.; Ecker, Joseph R.

    2007-01-30T23:59:59.000Z

    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.

  13. Molecule nanoweaver

    DOE Patents [OSTI]

    Gerald, II; Rex E. (Brookfield, IL); Klingler, Robert J. (Glenview, IL); Rathke, Jerome W. (Homer Glen, IL); Diaz, Rocio (Chicago, IL); Vukovic, Lela (Westchester, IL)

    2009-03-10T23:59:59.000Z

    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.

  14. Specific interaction of fluoride ions with aluminum and gallium solvates in an ethylene glycol solutions

    SciTech Connect (OSTI)

    Petrosyants, S.P.; Tsabel', E.R.; Buslaev, Yu.A.

    1986-01-01T23:59:59.000Z

    The interaction of aluminum chloride and gallium chloride with KF in ethylene glycol solutions with F:M/sup 3 +/ mole ratios approximately equal to 2 includes a step involving the formation of fluorine-containing species, in which the fluoride ions are held in the outer sphere of ethylene glycol solvates of aluminum and gallium. Complexes based on hexacoordinate solvates predominate in the solutions of aluminum, while in the case of gallium, in contrast to aluminum, the coexistence of tetra- and hexacoordinate complexes is characteristic. The configurational equilibrium in the solutions of gallium is one of the causes of the structurization of the solutions, i.e., polymerization due to the formation of H bonds between the fluoride ions and the coordinated ethylene glycol molecules.

  15. Antifreeze in the hot core of Orion - First detection of ethylene glycol in Orion-KL

    E-Print Network [OSTI]

    Brouillet, N; Lu, X -H; Baudry, A; Cernicharo, J; Bockelée-Morvan, D; Crovisier, J; Biver, N

    2015-01-01T23:59:59.000Z

    Comparison of their chemical compositions shows, to first order, a good agreement between the cometary and interstellar abundances. However, a complex O-bearing organic molecule, ethylene glycol (CH$_{2}$OH)$_{2}$, seems to depart from this correlation because it was not easily detected in the interstellar medium although it proved to be rather abundant with respect to other O-bearing species in comet Hale-Bopp. Ethylene glycol thus appears, together with the related molecules glycolaldehyde CH$_{2}$OHCHO and ethanol CH$_{3}$CH$_{2}$OH, as a key species in the comparison of interstellar and cometary ices as well as in any discussion on the formation of cometary matter. We focus here on the analysis of ethylene glycol in the nearest and best studied hot core-like region, Orion-KL. We use ALMA interferometric data because high spatial resolution observations allow us to reduce the line confusion problem with respect to single-dish observations since different molecules are expected to exhibit different spatial ...

  16. Iron, Manganese and Ruthenium Metal Carbonyls as Photoactive Carbon Monoxide Releasing Molecules (photoCORMS): Ligand Design Strategies, Syntheses and Structure Characterizations

    E-Print Network [OSTI]

    Gonzales, Margarita Andal

    2013-01-01T23:59:59.000Z

    15 , components of dye-sensitized solar cells 16 and ion-components in dye-sensitized solar cells. 2-4 When carbon

  17. Unusual behavior of poly(ethylene-oxide) in aqueous mixtures.

    SciTech Connect (OSTI)

    Lal, J.; Hakem, I. F.; IPNS

    2004-10-01T23:59:59.000Z

    The model system of poly(ethylene-oxide) or PEO, where the changing hydrogen-bond connectivity of the water has large effect on the conformation of the polymer chain, in mixtures of water and acetonitrile, is experimentally studied. The results show the existence of a threshold water content in the system at which the 3d connectivity of the water network begins. Unusual expansion of the polymer chain, an effect larger than that observed in either of the pure solvents, is seen. Upon addition of small amounts of a monovalent salt, binding of ion to polymer takes place in pure acetonitrile solutions. Salt ions begin to co-ordinate with water molecules at the same solvent ratio as the threshold for water network formation. Ions now no longer complex to PEO; instead, hydrogen bonding of water to the polymer strongly dictates conformation in this regime.

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

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

    Dehydration and Dehydrogenation of Ethylene Glycol on Rutile TiO2(110). Dehydration and Dehydrogenation of Ethylene Glycol on Rutile TiO2(110). Abstract: The interactions of...

  19. arXiv:cond-mat/0504696v126Apr2005 Adsorption and dissociation of hydrogen molecules on bare and functionalized carbon

    E-Print Network [OSTI]

    Yildirim, Taner

    and dissociation into hydrogen atoms to complete the current cycle in the fuel cell to produce the desired numbers: 73.22.-f, 61.46.+w, 68.43.Bc I. INTRODUCTION Fuel cells have been a real challenge for clean. Once hydrogen molecule is chosen as potential fuel, its storage, easy dis- charge for consumption

  20. A colorimetric method for the determination of ethylene evolved from plants

    E-Print Network [OSTI]

    Truchelut, George Burnett

    1954-01-01T23:59:59.000Z

    homologs of ethylene, thus proving the direct linkage between Hg and C 0 For example, with propylene, this product was obtained? 13 ClO^-Hg-CH-CHg-OH A C O The carbon adjacent to the mercury atom in this structure is asymmetric, and optically active...? There would be no asym? metric carbons in a molecular association, thus no optical activity. It was observed during the course of the present work that the mercury in the complex was much slower in reaction, in typical mercury reactions, than was the free...

  1. Matrix photooxidation of the metal carbonyls M(CO)/sub 6/ (M = Cr, W) by the isoelectronic molecules carbon dioxide and nitrous oxide

    SciTech Connect (OSTI)

    Almond, M.J.; Downs, A.J.; Perutz, R.N.

    1985-01-30T23:59:59.000Z

    Photolysis of the hexacarbonyl molecules M(CO)/sub 6/ (M = Cr or W) in the presence of either CO/sub 2/ or N/sub 2/O has been explored by examining the IR, Raman, and UV-visible spectra of solid argon or methane matrices at ca. 20 K. Hence it has been established that the hexacarbonyl undergoes photooxidation at the hands of CO/sub 2/ or N/sub 2/O, the reaction proceeding in three stages. First, photolysis gives rise to a complex of the type XO-M(CO)/sub 5/ (X = OC or N/sub 2/), which is photochromic, being readily converted to Y-M(CO)/sub 5/ (Y = Ar, CH/sub 4/) and M(CO)/sup 6/ with the release of CO/sub 2/ or N/sub 2/O. Second, complexing activates the CO/sub 2/ or N/sub 2/O molecule to photodissociation at wavelengths far in excess of the normal thresholds, so that continued UV photolysis leads to oxidation of the metal carbonyl to oxo-metal carbonyl intermediates O/sub x/M(CO)/sub y/ containing M=O groups, e.g. trans-O/sub 2/W(CO)/sub 4/; there is simultaneous reduction of CO/sub 2/ to CO and of N/sub 2/O to N/sub 2/. In addition, Cr(CO)/sub 6/ but not W(CO)/sub 6/ gives what is believed to be a binuclear intermediate incorporating CO/sub 2/. Finally, after prolonged UV photolysis, oxidation of the metal carbonyls affords the binary metal oxide molecules CrO/sub 2/ and WO/sub 3/. 44 references, 6 figures, 3 tables.

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

    DOE Patents [OSTI]

    Sen, Ayusman (State College, PA); Kim, Jang Sub (State College, PA); Pawlow, James H. (Gainesville, FL); Murtuza, Shahid (State College, PA); Kacker, Smita (Annandale, NJ); Wojcinski, III, Louis M. (State College, PA)

    2001-01-01T23:59:59.000Z

    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.

  3. Low capital implementation of distributed distillation in ethylene recovery

    DOE Patents [OSTI]

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

    2006-10-31T23:59:59.000Z

    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.

  4. accommodation epeiric carbonate: Topics by E-print Network

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

    by surface modification with vertically aligned single-walled carbon nanotubes Materials Science Websites Summary: molecules, and directly transmitted molecules without...

  5. Development of An Economically Viable H2O2-based, Liquid-Phase Ethylene Oxide Technology: Reactor Engineerign and Catalyst Development Studies

    E-Print Network [OSTI]

    Ghanta, Madhav

    2012-05-31T23:59:59.000Z

    because much of the ethylene (feedstock) and EO (product) burns to form carbon dioxide, a greenhouse gas. Worldwide, commercial production of EO releases 3.4 million metric tonnes of CO2 each year making it the second largest emitter of CO2 among all...

  6. Ethylene Market Activity in the 1990s

    E-Print Network [OSTI]

    Field, S.; McCormack, G.

    scenario will not change. OverlY ambitious capacity bUilding which occurred in the late 1970s. combined wIth industrial slagnation In the early 1980s produced overcapacity, miserable pr"ofi ts and the industry shakeout whIch was experienced....e-by""site analYSIS indicate that. ethylene capacity willgro~ b 5-7 %/year. The supply prOjectIon are more predIctable lhan the growth projectIons. If both projections hold UP. price erosion will continue. result~nq in poor t no pr"ofits for' d new plant...

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

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

    An Investigation on an Ethylene GylcolWater Nanofluid for Heavy Vehicle Cooling Applications An Investigation on an Ethylene GylcolWater Nanofluid for Heavy Vehicle Cooling...

  8. Iron/soot interaction in a laminar ethylene nonpremixed flame

    SciTech Connect (OSTI)

    Zhang, J.; Megaridis, C.M. [Univ. of Illinois, Chicago, IL (United States). Dept. of Mechanical Engineering

    1994-12-31T23:59:59.000Z

    A laminar, coannular, ethylene/air nonpremixed flame doped with ferrocene additive is employed to address the fundamental question of how iron becomes incorporated into the carbonaceous soot phase, thus interfering with the soot formation processes. The structure and chemical composition of individual aggregates are characterized with respect to flame coordinates via a combination of thermophoretic sampling, transmission electron microscopy, and energy dispersive spectrometry. Soot aggregate microstructure clearly reveals iron occlusion, as well as stratification of soot layers over the occluded phase. The study provides physical evidence that the soot and iron compounds combine in the flame to form a hybrid (inhomogeneous) particulate phase. The reported observations are consistent with the hypothesis that ferrocene decomposes early in the combustion process and before the onset of soot particle inception, thus forming a fine aerosol for the subsequent deposition of carbonaceous substances. Examination of a series of inhomogeneous soot aggregates shows that the flame aerosol composition varies with flame coordinates. In particular, aggregates transported in the soot annulus near the luminous flame front are primarily composed of carbon and oxygen, with traces of iron finely dispersed through the aggregate matrix. On the other hand, carbonaceous soot transported at low heights and near the flame axis contains iron in its elemental form. Finally, soot aggregates in all other areas of the flame contain both iron and oxygen, thus implying the possible presence of iron oxides within the carbonaceous matrix.

  9. New system pinpoints leaks in ethylene pipeline

    SciTech Connect (OSTI)

    Hamande, A. [Solvay et Cie, Jemeppe sur Sambre (Belgium); Condacse, V.; Modisette, J. [Modisette Associates, Inc., Houston, TX (United States)

    1995-04-01T23:59:59.000Z

    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.

  10. Leak detection on an ethylene pipeline

    SciTech Connect (OSTI)

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

    1995-12-31T23:59:59.000Z

    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.

  11. 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

    2000-12-31T23:59:59.000Z

    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.

  12. Investigation of Self-Assembly and Micelle Polarity for a Wide Range of Ethylene Oxide-Propylene Oxide-Ethylene

    E-Print Network [OSTI]

    Loh, Watson

    Investigation of Self-Assembly and Micelle Polarity for a Wide Range of Ethylene Oxide-Propylene of 15 EO-PO-EO (EO ) ethylene oxide, PO ) propylene oxide) block copolymers by using three different) propylene oxide) block copolymers, commercially known as Polox- amers, Pluronics, or Synperonics, have been

  13. Carbon Chemistry in interstellar clouds

    E-Print Network [OSTI]

    Maryvonne Gerin; David Fosse; Evelyne Roueff

    2002-12-03T23:59:59.000Z

    We discuss new developments of interstellar chemistry, with particular emphasis on the carbon chemistry. We confirm that carbon chains and cycles are ubiquitous in the ISM and closely chemically related to ea ch other, and to carbon. Investigation of the carbon budget in shielded and UV illuminated gas shows that the inventory of interstellar molecules is not complete and more complex molecules with 4 or more carbon atoms must be present. Finally we discuss the consequences for the evolution of clouds and conclude that the ubiquitous presence of carbon chains and cycles is not a necessary consequence of a very young age for interstellar clouds.

  14. Phases of Atom-Molecule Vortex Matter

    SciTech Connect (OSTI)

    Woo, S. J.; Bigelow, N. P. [Department of Physics and Astronomy, University of Rochester, Rochester, New York (United States); Park, Q-Han [Department of Physics, Korea University, Seoul (Korea, Republic of)

    2008-03-28T23:59:59.000Z

    We study ground state vortex configurations in a rotating atom-molecule Bose-Einstein condensate. It is found that the coherent coupling between the atomic and molecular condensates can render a pairing of atomic and molecular vortices into a composite structure that resembles a carbon dioxide molecule. Structural phase transitions of vortex lattices are also explored through different physical parameters including the rotational frequency of the system.

  15. Plants having modified response to ethylene

    DOE Patents [OSTI]

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

    1997-11-18T23:59:59.000Z

    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.

  16. Plants having modified response to ethylene

    DOE Patents [OSTI]

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

    1998-10-20T23:59:59.000Z

    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.

  17. Plants having modified response to ethylene

    DOE Patents [OSTI]

    Meyerowitz, Elliott M. (Pasadena, CA); Chang, Caren (Pasadena, CA); Bleecker, Anthony B. (Madison, WI)

    1997-01-01T23:59:59.000Z

    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.

  18. Plants having modified response to ethylene

    DOE Patents [OSTI]

    Meyerowitz, Elliot M. (Pasadena, CA); Chang, Caren (Pasadena, CA); Bleecker, Anthony B. (Madison, WI)

    1998-01-01T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Sen, Ayusman (State College, PA); Murtuza, Shahid (Chicago, IL); Harkins, Seth B. (Pasadena, CA); Andes, Cecily (State College, PA)

    2002-01-01T23:59:59.000Z

    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).

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

    SciTech Connect (OSTI)

    McKimpson, Marvin G.

    2006-04-06T23:59:59.000Z

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

  1. Reactivity of ethylene oxide in contact with contaminants

    E-Print Network [OSTI]

    Dinh, Linh Thi Thuy

    2009-05-15T23:59:59.000Z

    Ethylene oxide (EO) is a very versatile compound with considerable energy in its ring structure. Its reactions proceed mainly via ring opening and are highly exothermic. Under some conditions, it is known to undergo a variety of reactions...

  2. aqueous ethylene glycol: Topics by E-print Network

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

    the AirWater Woojin Lee, Suolong Ni, Jianjun Deng,, Byoung-Suhk Kim, Sushil K. Satija, Materials Science Websites Summary: Telechelic Poly(ethylene glycol)-POSS Amphiphiles at...

  3. Influence of Ionic Surfactants on the Aggregation of Poly(Ethylene Oxide)-Poly(Propylene Oxide)-Poly(Ethylene Oxide) Block Copolymers Studied by Differential Scanning and

    E-Print Network [OSTI]

    Loh, Watson

    Influence of Ionic Surfactants on the Aggregation of Poly(Ethylene Oxide)-Poly(Propylene Oxide copolymers of poly(ethylene oxide) and poly(propylene oxide), EOnPOmEOn, and the ionic surfactants sodium the aggregates of all three polymers. Introduction Water-soluble poly(ethylene oxide)-poly(propylene oxide)- poly

  4. Nanodevices for generating power from molecules and batteryless sensing

    DOE Patents [OSTI]

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

    2014-07-15T23:59:59.000Z

    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.

  5. Liquid-solid phase diagrams of binary carbonates for lithium batteries

    SciTech Connect (OSTI)

    Ding, M.S.; Xu, K.; Jow, T.R.

    2000-05-01T23:59:59.000Z

    The authors present the liquid-solid phase diagrams that they mapped with a differential scanning calorimeter (DSC) for the following seven binary carbonates: dimethyl carbonate (DMC)-ethylene carbonate (EC), ethyl methyl carbonate (EMC)-EC, EMC-propylene carbonate (PC), EMC-dimethyl ethylene carbonate (DMEC), EMC-isobutylene carbonate (iBC), PC-EC, and EMC-DMC. Many of these are among the most frequently used solvent systems for making the nonaqueous electrolytes for lithium batteries. The phase diagrams of these carbonate systems are all of the simple eutectic type but with vastly different particular features. Comparison of these phase diagrams shows that to expand the liquid region of a carbonate system toward low temperature, the two components of the system need to have comparable melting temperatures and compatible molecular structures. These results are consistent with thermodynamic considerations and have significant practical implications.

  6. December 13, 2012 The steady state model of a reactive distillation column for ethylene glycol

    E-Print Network [OSTI]

    Neumaier, Arnold

    December 13, 2012 The steady state model of a reactive distillation column for ethylene glycol in an ethylene glycol reactive distillation column. Ind. Eng. Chem. Res., 33:2738­2748, 1994. 3 #12;

  7. Cryogenic Mechanical Alloying of Poly(methyl methacrylate) with Polyisoprene and Poly(ethylene-alt-propylene)

    E-Print Network [OSTI]

    Cryogenic Mechanical Alloying of Poly(methyl methacrylate) with Polyisoprene and Poly(ethylene-alt-propylene temperatures to incorporate polyisoprene (PI) or its hydrogenated analogue poly(ethylene-alt-propylene) (PEP

  8. Detection of Ethylene Gas by Fluorescence Turn-On of a Conjugated Polymer

    E-Print Network [OSTI]

    Swager, Timothy Manning

    Ripe fruits: The fluorescence of a conjugated polymer is quenched by the presence of copper(I) moieties. Upon exposure to ethylene gas the copper complexes bind to ethylene and no longer quench the polymer fluorescence ...

  9. Photoelectrochemical investigation of a poly(ethylene oxide) cell

    SciTech Connect (OSTI)

    Sammells, A.F.; Ang, G.P.

    1984-03-01T23:59:59.000Z

    The photoelectrochemical properties of cells based on the solid polymer electrolyte (SPE) poly(ethylene oxide)/NaSCN with Na2S/S as a redox species are investigated experimentally. The preparation of the SPE is described in detail. Current/voltage curves or voltage/time are shown for cells using p-InP/SPE/conducting-glass, n-GaAs/SPE/conducting-glass, and p-InP/SPE/n-CdS structures. It is concluded that practical cells based on SPE of this type will require increases in the ionic conductivity of poly(ethylene oxide). 13 references.

  10. Coke profile and effect on methane/ethylene conversion process

    E-Print Network [OSTI]

    Al-Solami, Bandar

    2002-01-01T23:59:59.000Z

    with distance along the reactor, and therefore the coke distribution should follow a similar pattern. A distribution of coke deposits along the reactor was also observed by Noda er al. (1974) in a study of iso-pentane isomerization. In this case the coke..., methane, ethane, ethylene, propane, iso-butane, butane, iso-pentane, pentane and hexanes. Also, the flow rate of the effluent stream is measured using the bubble meter. The mole percentages of methane and ethylene are subtracted of the effluent stream...

  11. The status of molecules

    SciTech Connect (OSTI)

    Barnes, T. [Oak Ridge National Lab., TN (United States)]:[Tennessee Univ., Knoxville, TN (United States). Dept. of Physics and Astronomy

    1994-10-01T23:59:59.000Z

    This report summarizes the experimental and theoretical status of hadronic molecules, which are weakly-bound states of two or more hadrons. We begin with a brief history of the subject and discuss a few good candidates, and then abstract some signatures for molecules which may be of interest in the classification of possible molecule states. Next we argue that a more general understanding of 2 {yields} 2 hadron-hadron scattering amplitudes will be crucial for molecule searches, and discuss some of our recent work in this area. We conclude with a discussion of a few more recent molecule candidates (notably the f{sub o}(1710)) which are not well established as molecules but satisfy some of the expected signatures.

  12. Pushpull tests evaluating in situ aerobic cometabolism of ethylene, propylene, and cis-1,2-dichloroethylene

    E-Print Network [OSTI]

    Semprini, Lewis

    Push­pull tests evaluating in situ aerobic cometabolism of ethylene, propylene, and cis-1 17 November 2005 Abstract In situ aerobic cometabolic transformations of ethylene, propylene, and cis and combinations of propane, dissolved oxygen (DO), nitrate, ethylene, propylene, c-DCE, and TCE into existing

  13. Selective adsorption of ethylene over ethane and propylene over propane in the metalorganic

    E-Print Network [OSTI]

    Selective adsorption of ethylene over ethane and propylene over propane in the metal in the energy costs associated with the cryogenic separation of ethylene­ethane and propylene­propane mixtures adsorption data for ethylene, ethane, propylene, and propane at 45, 60, and 80 C for the entire series

  14. 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. [Department of Chemical Engineering, University of Utah, Salt Lake City, UT (United States); D'Anna, Andrea [Dipartimento di Ingegneria Chimica, Universita ''Federico II'' di Napoli, Naples (Italy)

    2011-01-15T23:59:59.000Z

    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)

  15. Carbons for lithium ion cells prepared using sepiolite as an inorganic template.

    SciTech Connect (OSTI)

    Sandi, G.

    1998-12-09T23:59:59.000Z

    Carbon anodes for Li ion cells have been prepared by the in situ polymerization of olefins such as propylene and ethylene in the channels of sepiolite clay mineral. Upon dissolution of the inorganic framework, a disordered carbon was obtained. The carbon was tested as anode in coin cells, yielding a reversible capacity of 633 mAh/g, 1.70 times higher than the capacity delivered by graphitic carbon, assuming 100% efficiency. The coulombic efficiency was higher than 90%.

  16. Assimilation and respiration of radioactive ethylene glycol, in the presence of high sodium chloride concentrations, by a sodium chloride requiring bacterium

    E-Print Network [OSTI]

    Gonzalez, Carlos Francisco

    1972-01-01T23:59:59.000Z

    and the contents distilled over into 5 ml of a 2X boric acid solution containing 3 ml of a O. l%%d ethanolic solution of methyl red and 5. 7 ml of a 0. 1X ethanolic 29 solution of brom cresol green. The samples were titrated, with 0. 1N HC1 using a... limits. Sodium requirement Effect of pH on growth Utilization of carbon sources. Respiration studies. Quantitation of ethylene glycol carbon Disappearance of. glucose and ammonia-nitrogen from cultures of Bacterium T-52. Possible pathways...

  17. High ethylene to ethane processes for oxidative coupling

    DOE Patents [OSTI]

    Chafin, Richard B. (Hurricane, WV); Warren, Barbara K. (Charleston, WV)

    1991-01-01T23:59:59.000Z

    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.

  18. High ethylene to ethane processes for oxidative coupling

    DOE Patents [OSTI]

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

    1991-12-17T23:59:59.000Z

    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.

  19. Economical analysis of a new gas to ethylene technology 

    E-Print Network [OSTI]

    Abedi, Ali Abdulhamid

    2007-09-17T23:59:59.000Z

    . In Europe and Japan, where natural gas is not abundant, thermal cracking of naphtha using a fired heater is the most common process. In addition to these processes; ethylene could also be produced from crude oil by autothermic and fluidized bed techniques...

  20. RTE1, A Novel Regulator of Ethylene Receptor Function

    SciTech Connect (OSTI)

    Caren Chang (PI)

    2013-02-05T23:59:59.000Z

    RTE1 is a novel conserved gene found in both plants and animals. The main aims of this project were to: 1) examine Arabidopsis RTE1 function using genetic and cell biological analyses, and 2) determine whether the Arabidopsis RTH gene plays a role similar to that of RTE1 in ethylene signaling.

  1. Anomalously increased effective thermal conductivities of ethylene glycol-based nanofluids containing copper nanoparticles

    SciTech Connect (OSTI)

    Eastman, J. A.; Choi, S. U. S.; Li, S.; Yu, W.; Thompson, L. J.

    2001-02-05T23:59:59.000Z

    It is shown that a ''nanofluid'' consisting of copper nanometer-sized particles dispersed in ethylene glycol has a much higher effective thermal conductivity than either pure ethylene glycol or ethylene glycol containing the same volume fraction of dispersed oxide nanoparticles. The effective thermal conductivity of ethylene glycol is shown to be increased by up to 40% for a nanofluid consisting of ethylene glycol containing approximately 0.3 vol% Cu nanoparticles of mean diameter <10 nm. The results are anomalous based on previous theoretical calculations that had predicted a strong effect of particle shape on effective nanofluid thermal conductivity, but no effect of either particle size or particle thermal conductivity.

  2. [Transition metal mediated transformations of small molecules

    SciTech Connect (OSTI)

    Sen, A.

    1992-01-01T23:59:59.000Z

    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. CARBON-CARBON COMPOSITE ALLCOMP Carbon-Carbon Composite

    E-Print Network [OSTI]

    Rollins, Andrew M.

    materials. MATERIALS AND DESIRED DATA Carbon-Carbon Composites(T300 & SWB): Crush Resistance, Bend StrengthCARBON-CARBON COMPOSITE ALLCOMP Carbon-Carbon Composite · C-C supplied in two forms · T300: C strength 4340 steel, carbon-carbon composite, and Carbon-Silicon Carbide composite were tested to examine

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

    DOE Patents [OSTI]

    Steinberg, M.; Fallon, P.

    1984-02-15T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

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

    2010-10-12T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Not Available

    2013-08-01T23:59:59.000Z

    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.

  7. Optothermal Molecule Trap

    E-Print Network [OSTI]

    Duhr, S; Duhr, Stefan; Braun, Dieter

    2006-01-01T23:59:59.000Z

    Thermophoresis moves molecules along temperature gradients, typically from hot to cold. We superpose fluid flow with thermophoretic molecule flow under well defined microfluidic conditions, imaged by fluorescence microscopy. DNA is trapped and accumulated 16-fold in regions where both flows move in opposite directions. Strong 800-fold accumulation is expected, however with slow trapping kinetics. The experiment is equally described by a three-dimensional and one-dimensional analytical model. As an application, we show how a radially converging temperature field confines short DNA into a 10 um small spot.

  8. 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)

    2011-03-08T23:59:59.000Z

    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. Heterocyclic small molecule peptidomimetics

    E-Print Network [OSTI]

    Liu, Jing

    2009-05-15T23:59:59.000Z

    Polymer-supported synthesis of a close analog (i.e. A) of an early lead, a 14- membered ring peptidomimetic D3, was described. The monovalent molecule was attached to different length linkers, and they were then paired sequentially on a triazine...

  10. Lithium Ethylene Dicarbonate Identified as the Primary Product ofChemical and Electrochemical Reduction of EC in EC:EMC/1.2M LiPF6Electrolyte

    SciTech Connect (OSTI)

    Zhuang, Guorong V.; Xu, Kang; Yang, Hui; Jow, T. Richard; RossJr., Philip N.

    2005-05-11T23:59:59.000Z

    Lithium ethylene dicarbonate (CH2OCO2Li)2 was chemically synthesized and its Fourier Transform Infrared (FTIR) spectrum was obtained and compared with that of surface films formed on Ni after cyclic voltammetry (CV) in 1.2M lithium hexafluorophosphate(LiPF6)/ethylene carbonate (EC): ethyl methyl carbonate (EMC) (3:7, w/w) electrolyte and on metallic lithium cleaved in-situ in the same electrolyte. By comparison of IR experimental spectra with that of the synthesized compound, we established that the title compound is the predominant surface species in both instances. Detailed analysis of the IR spectrum utilizing quantum chemical (Hartree-Fock) calculations indicates that intermolecular association through O...Li...O interactions is very important in this compound. It is likely that the title compound in passivation layer has a highly associated structure, but the exact intermolecular conformation could not be established based on analysis of the IR spectrum.

  11. Material challenges in ethylene pyrolysis furnace heater service

    SciTech Connect (OSTI)

    Ibarra, S.

    1980-02-01T23:59:59.000Z

    Operating temperatures of pyrolysis furnaces are sometimes in excess of 2000/sup 0/F (1100/sup 0/C). These temperatures are very detrimental to the life of the typical HK-40 furnace tubes which normally have a three to five year life in the hot section of these furnaces. Short life is attributed to rapid carburization of ID surfaces which subjects tubes to higher than normal stresses and results in creep cracking of furnace tubes. As an aid to understanding the materials problems the ethylene process will be presented, along with data on the carburization of furnace tubes.

  12. Regional Production Economics for Ethylene and Propylene Derivatives

    E-Print Network [OSTI]

    McCormack, G.; Pavone, T.

    the significant p~oduction cost indices in each of 10 ~egions, and uses those indices to cal':ulate the production cost of majo~ ethylene and p~oPylene de~ivatives. The regions conside~ed a~e: B~azil, Weste~n Canada, China, Indonesia. Japan. Saudi A... 95 78 B5 7B 142 65 95 95 63 92 p~oduction costs is to dete~mine a ~ep~esentative plant capacity. SRI evaluated a va~iety of plants, with ~espect to actual capacities, and dete~mined the ~ep~esentative size of wo~ld competitive capacity...

  13. Single-Molecule FISH Single-Molecule RNA FISH

    E-Print Network [OSTI]

    Walter, Nils G.

    changes as small as $0.3 nm in individual molecules (or pairs of molecules) within a heterogeneous intermolecular interactions to macromolecular folding and catalysis. Although smFRET has only been technically

  14. High-energy mechanical milling of poly(methyl methacrylate), polyisoprene and poly(ethylene-alt-propylene)

    E-Print Network [OSTI]

    High-energy mechanical milling of poly(methyl methacrylate), polyisoprene and poly(ethylene-alt-propylene(methyl methacrylate) (PMMA) at ambient and cryogenic temperatures, as well as on polyisoprene (PI) and poly(ethylene-alt-propylene

  15. Carbon nanotube-based field ionization vacuum

    E-Print Network [OSTI]

    Jang, Daniel, M. Eng. Massachusetts Institute of Technology

    2012-01-01T23:59:59.000Z

    We report the development of a novel micropump architecture that uses arrays of isolated vertical carbon nanotubes (CNT) to field ionize gas particles. The ionized gas molecules are accelerated to and implanted into a ...

  16. The chemical dynamics of nanosensors capable of single-molecule detection

    E-Print Network [OSTI]

    Boghossian, Ardemis A.

    Recent advances in nanotechnology have produced the first sensor transducers capable of resolving the adsorption and desorption of single molecules. Examples include near infrared fluorescent single-walled carbon nanotubes ...

  17. Temperature and rate dependent finite strain behavior of poly(ethylene terephthalate) and poly(ethylene terephthalate)-glycol above the glass transition temperature

    E-Print Network [OSTI]

    Dupaix, Rebecca B. (Rebecca Brown), 1976-

    2003-01-01T23:59:59.000Z

    Poly(ethylene terephthalate) is widely used for consumer products such as drawn fibers, stretched films, and soda bottles. Much of its commercial success lies in the fact that it crystallizes at large strains during warm ...

  18. Solid State Blending of Poly(ethylene terephthalate) with Polystyrene: Extent of PET Amorphization and

    E-Print Network [OSTI]

    Mitchell, Brian S.

    Solid State Blending of Poly(ethylene terephthalate) with Polystyrene: Extent of PET Amorphization.interscience.wiley.com). ABSTRACT: Polystyrene (PS) and poly(ethylene terephthalate) (PET) were blended to- gether in the solid. CMA PS/PET blend morphologies were characterized both qualitatively and quantitatively through

  19. Department of Mechanical & Nuclear Engineering Spring 2011 Converting Methane into Ethylene

    E-Print Network [OSTI]

    Demirel, Melik C.

    into Ethylene Overview Converting biomass to ethanol is an alternative source of fuel which could help drastically reduce the price of gasoline and dependence on foreign oil. The conversion of methane to ethylene to continue advancements with biomass to ethanol conversion processes. #12;

  20. Effect of continuous exposure to exogenous ethylene during cold storage on postharvest decay development and quality

    E-Print Network [OSTI]

    Crisosto, Carlos H.

    Effect of continuous exposure to exogenous ethylene during cold storage on postharvest decay benefit could be expected from actively removing ethylene from cold storage rooms or transport containers million) induces flesh soft- ening, limiting long-term cold storage (Mitchell, 1990). Recently, Wills et

  1. Adsorption of Ethylene Glycol Vapor on r-Al2O3 (0001) and Amorphous

    E-Print Network [OSTI]

    Adsorption of Ethylene Glycol Vapor on r-Al2O3 (0001) and Amorphous SiO2 Surfaces: Observation W. 18th Avenue, Columbus, Ohio 43210 Vapor adsorption is an important process influencing the migration and the fates of many organic pollutants in the environment. In this study, adsorption of ethylene

  2. Response to Xanthomonas campestris pv. vesicatoria in Tomato Involves Regulation of Ethylene Receptor

    E-Print Network [OSTI]

    Klee, Harry J.

    Response to Xanthomonas campestris pv. vesicatoria in Tomato Involves Regulation of Ethylene ethylene's role in plant response to virulent and avirulent strains of Xanthomonas campestris pv overexpressing a wild-type NR cDNA were infected with virulent X. campestris pv. vesicatoria. Like the Nr mutant

  3. Entropically Driven Partitioning of Ethylene Oxide Oligomers and Polymers in Aqueous/ Organic Biphasic Systems

    E-Print Network [OSTI]

    Loh, Watson

    Entropically Driven Partitioning of Ethylene Oxide Oligomers and Polymers in Aqueous/ Organic; In Final Form: June 19, 2002 Partitioning of ethylene oxide oligomers and polymers (PEO) in biphasic unit, smaller than hydration numbers reported in aqueous solutions. All of these findings lead

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

    DOE Patents [OSTI]

    Guo, Hongwei (La Jolla, CA); Ecker, Joseph R. (Carlsbad, CA)

    2010-02-02T23:59:59.000Z

    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.

  5. 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

    2014-01-07T23:59:59.000Z

    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.

  6. Absorption Equilibrium and Kinetics for Ethylene-Ethane Separation with a Novel Solvent

    E-Print Network [OSTI]

    Eldridge, R. Bruce

    mixture of ethylene/ethane, distillation towers with an enormous number of trays are operated at high integration present in a modern ethylene unit, the energy expen- diture is enormous, making up 6.2% of the total yearly energy requirement of all distillation processes.2 Despite the high capital and energy

  7. Enhanced thermal conductivity and viscosity of copper nanoparticles in ethylene glycol nanofluid

    E-Print Network [OSTI]

    Enhanced thermal conductivity and viscosity of copper nanoparticles in ethylene glycol nanofluid J conductivity and viscosity of copper nanoparticles in ethylene glycol. The nanofluid was prepared calculations suggest that this nanofluid would not be beneficial as a coolant in heat exchangers without

  8. High-Shear-Rate Behavior of Radial Hydrogenated Styrene-Isoprene and Block Ethylene-Propylene Copolymer

    E-Print Network [OSTI]

    Erickson, David

    High-Shear-Rate Behavior of Radial Hydrogenated Styrene-Isoprene and Block Ethylene-Propylene additives (an ethylene-propylene block copolymer and a radial hydrogenated styrene-isoprene copolymer-isoprene copolymer and 1.5% for the ethylene-propylene additive, the viscosity was measured over a range of shear

  9. Carbon Emissions Primer Symposium on Greenhouse Gas andSymposium on Greenhouse Gas and

    E-Print Network [OSTI]

    6/5/2013 1 Carbon Emissions Primer Symposium on Greenhouse Gas andSymposium on Greenhouse Gas Council June 4, 2013 Portland, OR 1 CO2 Chemistry 1 molecule of CO 1 atom carbon1 molecule of CO2 = 1 atom carbon + 2 atoms oxygen 2 #12;6/5/2013 2 CO2 Chemistry 1 mole of carbon = 6 02 x 1023 carbon atoms 1

  10. Multi-bit magnetic memory using Fe8 high spin molecules

    E-Print Network [OSTI]

    Keren, Amit

    16 10 17 10 18 10 19 10 20 QTM Magnetic cores Disk file Magnetic bubble Thin film Optical disk IBM molecule behaves independently. #12;8 [Fe8O2(OH)12(C6H15N3)6]Br7(H2O)Br8H2O Fe8 Molecule Iron Carbon

  11. Interstellar C2 Molecule as Seen in HST/STIS Data

    E-Print Network [OSTI]

    Marcin Dyrka; Bogdan Wszo?ek; Micha l Pawlikowski

    2006-07-10T23:59:59.000Z

    Carbon chains are sometimes considered as possible carriers of some diffuse interstellar bands. Spectroscopic observations in UV band carried by spectrometer STIS fed with HST, give us the possibility to detect many interstellar molecules. We focused our attention on C2 molecule and we detected it in spectra of three reddened stars (HD27778, HD147933, HD207198). Interstellar molecule C2 was detected as a set of absorption lines around 2313 angstroms.

  12. Asymmetric poly(ethylene-alt-propylene)-poly(ethylene oxide) micelles: A system with starlike morphology and interactions

    SciTech Connect (OSTI)

    Laurati, M.; Stellbrink, J.; Lund, R.; Willner, L.; Richter, D. [Institut fuer Festkoerperforschung, Forschungszentrum Juelich, 52425 Juelich (Germany); Zaccarelli, E. [Dipartimento di Fisica and INFM-CRS SOFT, Universita di Roma La Sapienza, Piazza A. Moro 2, I-00185, Roma (Italy)

    2007-10-15T23:59:59.000Z

    We report on an experimental study of single particle properties and interactions of poly(ethylene-alt-propylene)-poly(ethylene oxide) (PEP-PEO) starlike micelles. The starlike regime is achieved by an extremely asymmetric block ratio (1:20) and the number of arms (functionality) is changed by varying the composition of the solvent (the interfacial tension). Small angle neutron scattering (SANS) data in the dilute regime can be modeled by assuming a constant density profile in the micellar core (compact core) and a starlike density profile in the corona (starlike shell). The starlike morphology of the corona is confirmed by a direct comparison with SANS measurements of dilute poly butadiene star solutions. Comparison of structure factors obtained by SANS measurements in the concentrated regime shows in addition that the interactions in the two systems are equivalent. Micellar structure factors at several packing fractions can be modeled by using the ultrasoft potential recently proposed for star polymers [Likos et al., Phys. Rev. Lett. 80, 4450 (1998)]. The experimental phase diagram of PEP-PEO micelles is quantitatively compared to theoretical expectations, finding good agreement for the location of the liquid-solid boundary and excellent agreement for the critical packing fraction where the liquid-to-bcc crystal transition takes place for f<70. The functionality, i.e., the coronal density, strongly influences the nature of the solid phase: for f<70 the system crystallizes into a bcc phase, high f>70 formation of amorphous arrested states prevents crystallization.

  13. Cool Magnetic Molecules

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power Administration would likeConstitution AndControllingCool Magnetic Molecules Cool Magnetic

  14. Nanometer Resolution Imaging by SIngle Molecule Switching. |...

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

    Nanometer Resolution Imaging by SIngle Molecule Switching. Nanometer Resolution Imaging by SIngle Molecule Switching. Abstract: The fluorescence intensity of single molecules can...

  15. Diameter-Controlled and Nitrogen-Doped Vertically Aligned Single-Walled Carbon Theerapol Thurakitsereea

    E-Print Network [OSTI]

    Maruyama, Shigeo

    controlled and vertically aligned single-walled carbon nanotubes were synthesized from pure and mixed ethanol/acetonitrile feedstock. With increasing acetonitrile concentration in the feedstock, nitrogen incorporation into the sp2], methane [8], acetylene [9], ethylene [10], or other organic chemical sources [11]. Acetonitrile (CH3CN

  16. Anisotropic contribution to the van der Waals and the Casimir-Polder energies for CO$_2$ and CH$_4$ molecules near surfaces and thin films

    E-Print Network [OSTI]

    Thiyam, Priyadarshini; Shajesh, K V; Persson, Clas; Schaden, Martin; Brevik, Iver; Parsons, Drew F; Milton, Kimball A; Malyi, Oleksandr I; Boström, Mathias

    2015-01-01T23:59:59.000Z

    In order to understand why carbon dioxide (CO$_2$) and methane (CH$_4$) molecules interact differently with surfaces, we investigate the Casimir-Polder energy of a linearly polarizable CO$_2$ molecule and an isotropically polarizable CH$_4$ molecule in front of an atomically thin gold film and an amorphous silica slab. We quantitatively analyze how the anisotropy in the polarizability of the molecule influences the van der Waals contribution to the binding energy of the molecule.

  17. Compositional Analysis of the High Molecular Weight Ethylene Oxide Propylene Oxide Copolymer by MALDI Mass Spectrometry

    E-Print Network [OSTI]

    Houshia, Orwa Jaber

    2012-01-01T23:59:59.000Z

    The composition of narrow distribution poly ethylene oxide-propylene oxide copolymer (Mw ~ 8700 Da) was studied using matrix assisted laser desorption ionization (MALDI) mass spectrometry. The ethylene oxide-propylene oxide copolymer produced oligomers separated by 14 Da. The average resolving power over the entire spectrum was 28,000. Approximately 448 isotopically resolved peaks representing about 56 oligomers are identified. Although agreement between experimental and calculated isotopic distributions was strong, the compositional assignment was difficult. This is due to the large number of possible isobaric components. The purpose of this research is to resolve and study the composition of high mass copolymer such as ethylene oxide-propylene oxide.

  18. Vibrational energy transfer in ultracold molecule - molecule collisions

    E-Print Network [OSTI]

    Goulven Quéméner; Naduvalath Balakrishnan; Roman V. Krems

    2008-01-15T23:59:59.000Z

    We present a rigorous study of vibrational relaxation in p-H2 + p-H2 collisions at cold and ultracold temperatures and identify an efficient mechanism of ro-vibrational energy transfer. If the colliding molecules are in different rotational and vibrational levels, the internal energy may be transferred between the molecules through an extremely state-selective process involving simultaneous conservation of internal energy and total rotational angular momentum. The same transition in collisions of distinguishable molecules corresponds to the rotational energy transfer from one vibrational state of the colliding molecules to another.

  19. Molecules in the Spotlight

    SciTech Connect (OSTI)

    Cryan, James

    2010-01-26T23:59:59.000Z

    SLAC has just unveiled the world's first X-ray laser, the LCLS. This machine produces pulses of X-rays that are ten billion times brighter than those from conventional sources. One of the goals of this machine is to make movies of chemical reactions, including reactions necessary for life and reactions that might power new energy technologies. This public lecture will show the first results from the LCLS. As a first target, we have chosen nitrogen gas, the main component of the air we breathe. Using the unprecedented power of the LCLS X-rays as a blasting torch, we have created new forms of this molecule and with unique electronic arrangements. Please share with us the first insights from this new technology.

  20. Machine Learning for Quantum Mechanical Properties of Atoms in Molecules

    E-Print Network [OSTI]

    Rupp, Matthias; von Lilienfeld, O Anatole

    2015-01-01T23:59:59.000Z

    We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach accuracies on par with density functional theory reference. Locality is exploited within non-linear regression via local atom-centered coordinate systems. The approach is validated on a diverse set of 9k small organic molecules. Linear scaling is demonstrated for saturated polymers with up to sub-mesoscale lengths.

  1. Photonic Molecules and Spectral Engineering

    E-Print Network [OSTI]

    Boriskina, Svetlana V.

    2010-01-01T23:59:59.000Z

    This chapter reviews the fundamental optical properties and applications of photonic molecules (PMs) – photonic structures formed by electromagnetic coupling of two or more optical microcavities (photonic atoms). Controllable ...

  2. Ethylene ame synthesis of well-aligned multi-walled carbon nanotubes

    E-Print Network [OSTI]

    Chen, Zhi

    ±air premixed ¯ame had iron, chromium and nickel oxide deposits on the grid surface. With this grid, entangled probably by lowering the ¯ame temperature. A cobalt-electrodeposited stainless steel grid was ®nally

  3. Manifold Assembly for the Convenient Polymerization of Ethylene Oxide and Butadiene

    E-Print Network [OSTI]

    used in the manufacture of synthetic rubber and various plastics. Incorporation of poly is found in the synthesis of styrene-butadiene-styrene rubber.9 Poly(butadiene-b-ethylene oxide) and more

  4. Electrospun Polyaniline/Poly (ethylene oxide) Composite Nanofibers Based Gas Sensor

    E-Print Network [OSTI]

    Li, Changling

    2013-01-01T23:59:59.000Z

    polymer composite nanofibers ( i.e. , (+)- camphor-10-sulfonic acid (HCSA) doped polyanline PANI (conductive)conductive hosting polymers such as poly(ethylene oxide), polyvinylpyrrolidone and cellulose acetate which have been used to assist polyaniline to form composite

  5. auxin-induced ethylene production: Topics by E-print Network

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

    the AirWater Woojin Lee, Suolong Ni, Jianjun Deng,, Byoung-Suhk Kim, Sushil K. Satija, Materials Science Websites Summary: Telechelic Poly(ethylene glycol)-POSS Amphiphiles at...

  6. acid-co-ethylene glycol dimethylacrylate: Topics by E-print Network

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

    the AirWater Woojin Lee, Suolong Ni, Jianjun Deng,, Byoung-Suhk Kim, Sushil K. Satija, Materials Science Websites Summary: Telechelic Poly(ethylene glycol)-POSS Amphiphiles at...

  7. Cathodic disbondment resistance with reactive ethylene terpolymer blends and composite coatings

    E-Print Network [OSTI]

    Love, Corey T.

    2008-01-01T23:59:59.000Z

    EPDM EVA ethylene vinyl acetate FBE fusion-bonded epoxy GMACoating Thickness on FBE ………………. Figure 7.13: NormalizedWhen XANES was applied to FBE-coated iron, the cathodically

  8. Dissection of defense responses of skl, an ethylene insensitive mutant of Medicago truncatula 

    E-Print Network [OSTI]

    Pedro, Uribe Mejia

    2004-11-15T23:59:59.000Z

    The interactions between Medicago truncatula and Phytophthora medicaginis were examined using skl, a mutant blocked in ethylene perception, and a range of wild accessions of this plant species. P. medicaginis infection ...

  9. Soot formation in laminar premixed ethylene/air flames at atmospheric pressure

    SciTech Connect (OSTI)

    Xu, F.; Sunderland, P.B.; Faeth, G.M. [Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Aerospace Engineering] [Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Aerospace Engineering

    1997-03-01T23:59:59.000Z

    Soot formation was studied within laminar premixed ethylene/air flames (C/O ratios of 0.78--0.98) stabilized on a flat-flame burner operating at atmospheric pressure. Measurements included soot volume fractions by both laser extinction and gravimetric methods, temperatures by multiline emission, soot structure by thermophoretic sampling and transmission electric microscopy, major gas species concentrations by sampling and gas chromatography, concentrations of condensable hydrocarbons by gravimetric sampling, and velocities by laser velocimetry. These data were used to find soot surface growth rates and primary soot particle nucleation rates along the axes of the flames. Present measurements of soot surface growth rates were correlated successfully by predictions based on typical hydrogen-abstraction/carbon-addition (HACA) mechanisms of Frenklach and co-workers and Colket and Hall. These results suggest that reduced soot surface growth rates with increasing residence time seen in the present and other similar flames were mainly caused by reduced rates of surface activation due to reduced H atom concentrations as temperatures decrease as a result of radiative heat losses. Primary soot particle nucleation rates exhibited variations with temperature and acetylene concentrations that were similar to recent observations for diffusion flames; however, nucleation rates in the premixed flames were significantly lower than in the diffusion flames for reasons that still must be explained. Finally, predictions of yields of major gas species based on mechanisms from both Frenklach and co-workers and Leung and Lindstedt were in good agreement with present measurements and suggest that H atom concentrations (relevant to HACA mechanisms) approximate estimates based on local thermodynamic equilibrium in the present flames.

  10. Natural materials for carbon capture.

    SciTech Connect (OSTI)

    Myshakin, Evgeniy M. (National Energy Technology Laboratory, Pittsburgh, PA); Romanov, Vyacheslav N. (National Energy Technology Laboratory, Pittsburgh, PA); Cygan, Randall Timothy

    2010-11-01T23:59:59.000Z

    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. Heats of Formation of Triplet Ethylene, Ethylidene, and Acetylene

    SciTech Connect (OSTI)

    Nguyen, M.T.; Matus, M.H.; Lester Jr, W.A.; Dixon, David A.

    2007-06-28T23:59:59.000Z

    Heats of formation of the lowest triplet state of ethylene and the ground triplet state of ethylidene have been predicted by high level electronic structure calculations. Total atomization energies obtained from coupled-cluster CCSD(T) energies extrapolated to the complete basis set limit using correlation consistent basis sets (CBS), plus additional corrections predict the following heats of formation in kcal/mol: Delta H0f(C2H4,3A1) = 80.1 at 0 K and 78.5 at 298 K, and Delta H0f(CH3CH,3A") = 86.8 at 0 K and 85.1 at 298 K, with an error of less than +-1.0 kcal/mol. The vertical and adiabatic singlet-triplet separation energies of ethylene were calculated as Delta ES-T,vert = 104.1 and Delta ES-T,adia = 65.8 kcal/mol. These results are in excellent agreement with recent quantum Monte Carlo (DMC) values of 103.5 +- 0.3 and 66.4 +- 0.3 kcal/mol. Both sets of computational values differ from the experimental estimate of 58 +- 3 kcal/mol for the adiabatic splitting. The computed singlet-triplet gap at 0 K for acetylene is Delta ES-T,adia(C2H2) = 90.5 kcal/mol, which is in notable disagreement with the experimental value of 82.6 kcal/mol. The heat of formation of the triplet is Delta H0f(C2H2,3B2) = 145.3 kcal/mol. There is a systematic underestimation of the singlet-triplet gaps in recent photodecomposition experiments by ~;;7 to 8 kcal/mol. For vinylidene, we predict Delta H0f(H2CC,1A1) = 98.8 kcal/mol at 298 K (exptl. 100.3 +- 4.0), Delta H0f(H2CC,3B2) = 146.2 at 298 K, and an energy gap Delta ES-T-adia(H2CC) = 47.7 kcal/mol.

  12. Temperature effects on the performance of PMAN-derived carbon anodes in 1M LiPF{sub 6}/EC-DMC solution

    SciTech Connect (OSTI)

    Guidotti, R.A.; Johnson, B.J.

    1998-04-01T23:59:59.000Z

    The effect of temperature on the reversible and irreversible capacities of disordered carbons derived from polymethacryonitrile (PMAN) and divinylbenzene (DVB) copolymers was studied in 1 M LiPF{sub 6}/ethylene carbonate (EC)-dimethyl carbonate (DMC) (1:1 v/v) solution by galvanostatic cycling. The kinetics of passive film formation were examined by complex-impedance spectroscopy. Temperatures of 5, 21, and 35 C were used in the study.

  13. Carbon Smackdown: Carbon Capture

    ScienceCinema (OSTI)

    Jeffrey Long

    2010-09-01T23:59:59.000Z

    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

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

    SciTech Connect (OSTI)

    Kempe, M. D.; Jorgensen, G. J.; Terwilliger, K. M.; McMahon, T. J.; Kennedy, C. E.; Borek, T. T.

    2006-05-01T23:59:59.000Z

    Photovoltaic (PV) devices are typically encapsulated using ethylene-vinyl acetate (EVA) to provide mechanical support, optical coupling, electrical isolation, and protection against environmental exposure. Under exposure to atmospheric water and/or ultraviolet radiation, EVA will decompose to produce acetic acid, lowering the pH and increasing the surface corrosion rates of embedded devices. Even though acetic acid is produced at a very slow rate, it may not take much to catalyze reactions that lead to rapid module deterioration. Another consideration is that the glass transition of EVA, as measured using dynamic mechanical analysis, begins at temperatures of about ?15 C. Temperatures lower than this can be reached for extended periods of time in some climates. Because of increased moduli below the glass transition temperature, a module may be more vulnerable to damage if a mechanical load is applied by snow or wind at low temperatures. Modules using EVA should not be rated for use at such low temperatures without additional low-temperature mechanical testing beyond the scope of UL 1703.

  15. Ethylene-Vinyl Acetate Potential Problems for Photovoltaic Packaging

    SciTech Connect (OSTI)

    Kempe, M. D.; Jorgensen, G. J.; Terwilliger, K. M.; McMahon, T. J.; Kennedy, C. E.; Borek, T. T.

    2006-01-01T23:59:59.000Z

    Photovoltaic (PV) devices are typically encapsulated using ethylene-vinyl acetate (EVA) to provide mechanical support, optical coupling, electrical isolation, and protection against environmental exposure. Under exposure to atmospheric water and/or ultraviolet radiation, EVA will decompose to produce acetic acid, lowering the pH and increasing the surface corrosion rates of embedded devices. Even though acetic acid is produced at a very slow rate, it may not take much to catalyze reactions that lead to rapid module deterioration. Another consideration is that the glass transition of EVA, as measured using dynamic mechanical analysis, begins at temperatures of about -15 degC. Temperatures lower than this can be reached for extended periods of time in some climates. Because of increased moduli below the glass transition temperature, a module may be more vulnerable to damage if a mechanical load is applied by snow or wind at low temperatures. Modules using EVA should not be rated for use at such low temperatures without additional low-temperature mechanical testing beyond the scope of UL1703.

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

    SciTech Connect (OSTI)

    Sen, A.

    1992-10-01T23:59:59.000Z

    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.

  17. FORMATION OF C{sub n} MOLECULES IN OXYGEN-RICH INTERIORS OF TYPE II SUPERNOVAE

    SciTech Connect (OSTI)

    Yu Tianhong; Meyer, Bradley S.; Clayton, Donald D. [Department of Physics and Astronomy, Clemson University, Clemson, SC 29634-0978 (United States)

    2013-05-20T23:59:59.000Z

    Two reaction-rate-based kinetic models for condensation of carbon dust via the growth of precursor linear carbon chains are currently under debate: the first involves the formation of C{sub 2} molecules via radiative association of free C atoms, and the second forms C{sub 2} molecules by the endoergic reaction CO + C {yields} C{sub 2} + O. Both are followed by C captures until the linear chain eventually makes an isomeric transition to ringed carbon on which rapid growth of graphite may occur. These two approaches give vastly different results. Because of the high importance of condensable carbon for current problems in astronomy, we study these competing claims with an intentionally limited reaction rate network which clearly shows that initiation by C + C {yields} C{sub 2} + {gamma} is the dominant pathway to carbon rings. We propose an explanation for why the second pathway is not nearly as effective as its proponents calculated it to be.

  18. Small angle neutron and X-ray scattering studies of carbons prepared using inorganic templates

    SciTech Connect (OSTI)

    Sandi, G.; Thiyagarajan, P.; Winans, R.E.; Carrado, K.A.

    1997-09-01T23:59:59.000Z

    Small angle neutron (SANS) and X-ray (SAXS) scattering analyses of carbons derived from organic-loaded inorganic template materials, used as anodes in lithium ion cells, have been performed. Two clays were used as templates to load the organic precursors, pillared montmorrillonite (PILC), a layered silicate clay whose sheets have been permanently propped open by sets of thermally stable molecular props, and sepiolite, a natural channeled clay. Five different organic precursors were used to load the PILC: pyrene, styrene, pyrene/trioxane copolymer, ethylene and propylene, whereas only propylene and ethylene were used to load sepiolite. Pyrolysis took place at 700{degrees}C under nitrogen. Values such as hole radius, fractal dimension, cutoff length and density of the final carbons will be compared as a function of the clay and carbon precursors.

  19. Controlling molecules with lasers and lasers with molecules

    E-Print Network [OSTI]

    Taylor, Jason Matthew, 1977-

    2007-01-01T23:59:59.000Z

    I investigate quantum control of spin in molecules using shaped ultrafast lasers and the dynamics of those lasers when their cavities are modified to include programmable molecular masks. The ability to control quantum ...

  20. Ultrafast Infrared Heating Laser Pulse-Induced Micellization Kinetics of Poly(ethylene oxide)-Poly(propylene oxide)-Poly(ethylene oxide) in

    E-Print Network [OSTI]

    Liu, Shilin

    Ultrafast Infrared Heating Laser Pulse-Induced Micellization Kinetics of Poly(ethylene oxide infrared heating laser pulse (10 ns)-induced temperature jump. The increases in the fluorescenceVersity of Hong Kong, Shatin N.T., Hong Kong ReceiVed June 4, 2007. In Final Form: July 7, 2007 The heating

  1. Metal alkoxides. Models for metal oxides. 15. Carbon-carbon and carbon-hydrogen bond activation in the reactions between ethylene and ditungsten hexaalkoxides: W sub 2 (OCH sub 2 -t-Bu) sub 6 (. eta. sup 2 -C sub 2 H sub 4 ) sub 2 , W sub 2 (OR) sub 6 (CH sub 2 ) sub 4 (. eta. sup 2 -C sub 2 H sub 4 ), and W sub 2 (OR) sub 6 (. mu. -CCH sub 2 CH sub 2 CH sub 2 ) (where r = CH sub 2 -t-Bu, i-Pr, c-C sub 5 h sub 9 , and c-C sub 6 H sub 11 ). Preparations, properties, structures, and reaction mechanisms

    SciTech Connect (OSTI)

    Chisholm, M.H.; Huffman, J.C.; Hampden-Smith, M.J. (Indiana Univ., Bloomington (USA))

    1989-07-05T23:59:59.000Z

    W{sub 2}(OR){sub 6} (M {triple bond}M) compounds and ethylene (1 atm, 22{degree}C) react in alkane and aromatic hydrocarbon solvents to give W{sub 2}(OR){sub 6}({mu}-CCH{sub 2}CH{sub 2}CH{sub 2}) compounds and ethane, where R = i-Pr, c-C{sub 5}H{sub 9}, c-C{sub 6}H{sub 11}, and CH{sub 2}-t-Bu. Under comparable conditions, W{sub 2}(O-t-Bu){sub 6} and ethylene fail to react. In the formation of W{sub 2}(OR){sub 6}({mu}-CCH{sub 2}CH{sub 2}CH{sub 2}) compounds, the intermediates W{sub 2}(OCH{sub 2}-t-Bu){sub 6}({eta}{sup 2}-C{sub 2}H{sub 4}){sub 2} and W{sub 2}(OR){sub 6}(CH{sub 2}){sub 4}({eta}{sup 2}-C{sub 2}H{sub 4}), where R = C-C{sub 5}H{sub 9}, i-Pr, and CH{sub 2}-t-Bu, have been characterized. For R = i-Pr and CH{sub 2}-t-Bu, the intermediates are shown to be formed reversibly from W{sub 2}(OR){sub 6} and ethylene. The compound W{sub 2}(O-i-Pr){sub 6}(CH{sub 2}){sub 4}({eta}{sup 2}-C{sub 2}H{sub 4}) has been fully characterized by an X-ray study and found to contain a metallacyclopentane ring and a W-{eta}{sup 2}-C{sub 2}H{sub 4} moiety, one at each metal center. The pyridine adduct W{sub 2}(O-i-Pr){sub 6}({mu}-CCH{sub 2}CH{sub 2}ch{sub 2})(py) has been fully characterized and shown to contain a novel 1,6-dimetallabicyclo(3.1.0)hex-1(5)-ene organometallic core. All compounds have been characterized by {sup 13}C and {sup 1}H NMR studies. Various aspects of the reaction pathway have been probed by the use of isotopically labeled ethylenes, and a proposed general scheme is compared to previous studies of ethylene activation at mononuclear metal centers and carbonyl dinuclear and cluster compounds.

  2. Surfactant-assisted intercalation of high molecular weight poly(ethylene oxide) into vanadyl phosphate di-hydrate

    SciTech Connect (OSTI)

    Ferreira, Joao Paulo L., E-mail: billbrujah@yahoo.com.br [Departamento de Quimica, FFCLRP, Universidade de Sao Paulo, Av. Bandeirantes 3900, Ribeirao Preto, SP 14040-901 (Brazil); Oliveira, Herenilton P. [Departamento de Quimica, FFCLRP, Universidade de Sao Paulo, Av. Bandeirantes 3900, Ribeirao Preto, SP 14040-901 (Brazil)] [Departamento de Quimica, FFCLRP, Universidade de Sao Paulo, Av. Bandeirantes 3900, Ribeirao Preto, SP 14040-901 (Brazil)

    2012-03-15T23:59:59.000Z

    Graphical abstract: CuK{sub {alpha}} X-ray diffraction patterns of the VOPO{sub 4}/PEO (A) e VOPO{sub 4}/CTA (B) and VOPO{sub 4}/CTA/PEO (C). Highlights: Black-Right-Pointing-Pointer VOPO{sub 4}/PEO has been synthesized by using CTAB, thereby improving PEO intercalation. Black-Right-Pointing-Pointer The d-spacing increase from 1.30 nm (VOPO{sub 4}/PEO) to 2.94 nm (VOPO{sub 4}/CTA/PEO). Black-Right-Pointing-Pointer This strategy was viable for intercalation of PEO with high molecular weight. -- Abstract: A high molecular weight poly(ethylene oxide)/layered vanadyl phosphate di-hydrate intercalation compound was synthesized via the surfactant-assisted approach. Results confirmed that surfactant molecules were replaced with the polymer, while the lamellar structure of the matrix was retained, and that the material presents high specific surface area. In addition, intercalation produced a more thermally stable polymer as evidenced by thermal analysis.

  3. Molecular biomechanics of collagen molecules

    E-Print Network [OSTI]

    Chang, Shu-Wei

    Collagenous tissues, made of collagen molecules, such as tendon and bone, are intriguing materials that have the ability to respond to mechanical forces by altering their structures from the molecular level up, and convert ...

  4. Detection of a branched alkyl molecule in the interstellar medium: iso-propyl cyanide

    E-Print Network [OSTI]

    Belloche, Arnaud; Müller, Holger S P; Menten, Karl M

    2014-01-01T23:59:59.000Z

    The largest non-cyclic molecules detected in the interstellar medium (ISM) are organic with a straight-chain carbon backbone. We report an interstellar detection of a branched alkyl molecule, iso-propyl cyanide (i-C3H7CN), with an abundance 0.4 times that of its straight-chain structural isomer. This detection suggests that branched carbon-chain molecules may be generally abundant in the ISM. Our astrochemical model indicates that both isomers are produced within or upon dust grain ice mantles through the addition of molecular radicals, albeit via differing reaction pathways. The production of iso-propyl cyanide appears to require the addition of a functional group to a non-terminal carbon in the chain. Its detection therefore bodes well for the presence in the ISM of amino acids, for which such side-chain structure is a key characteristic.

  5. 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

    2014-07-22T23:59:59.000Z

    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.

  6. The reduction of carbon-carbon multiple bond systems

    E-Print Network [OSTI]

    Ferguson, Donald Roy

    1965-01-01T23:59:59.000Z

    and Uses, " Reinhold Publishing Corporations New York, N. Y. & 1956, p. 309 the dicarbanion with carbon dioxide yields the di-sodium salt of 1, 1, 2, 4 2-tetraphenylsuccinic acid. If two atoms of an alkali metal add to the multiple bond of an al- kyne... acid. One mole of carbon dioxide reacts with III to form the indone. It was proposed on the basis of the foregoing evidence that alkali metals could be caused to add across an acetylenic bond of a molecule to form a vinylic dicarbanion. It was hoped...

  7. Carbon-Fuelled Future

    SciTech Connect (OSTI)

    Appel, Aaron M.

    2014-09-12T23:59:59.000Z

    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.

  8. Effect of nano-fibers on the stress-strain behavior of semi-crystalline poly(ethylene terephthalate) at different strain rates

    E-Print Network [OSTI]

    Cohen, Ellann

    2008-01-01T23:59:59.000Z

    Uniaxial compression tests were performed on amorphous poly(ethylene terephthalate) (PET), amorphous poly(ethylene terephthalate)- glycol (PETG), semi-crystalline PET, and semicrystalline PET with various amounts of ...

  9. "Brush-First" Method for the Parallel Synthesis of Photocleavable, Nitroxide-Labeled Poly(ethylene glycol) Star Polymers

    E-Print Network [OSTI]

    Turro, Nicholas J.

    (ethylene glycol) Star Polymers Jenny Liu,,# Alan O. Burts,,# Yongjun Li, Aleksandr V. Zhukhovitskiy, M. Francesca-pot synthesis of core-photocleavable, poly(norbornene)-co-poly(ethylene gly- col) (PEG) brush-arm star polymers (BASPs) via a route that combines the "graft-through" and "arm-first" methodologies for brush polymer

  10. Gas-Surface Energy Exchange in Collisions of Helium Atoms with Aligned Single-Walled Carbon

    E-Print Network [OSTI]

    Maruyama, Shigeo

    1 Gas-Surface Energy Exchange in Collisions of Helium Atoms with Aligned Single-Walled Carbon #12;2 ABSTRACT Since gas flows in micro/nano devices are dominated by the interaction of gas molecules accommodation of gas molecules on surfaces. The scattering of gas molecules on quartz surfaces covered with VA

  11. The oxidation of ethylene glycol by a salt-requiring bacterium

    E-Print Network [OSTI]

    Caskey, William Horton

    1975-01-01T23:59:59.000Z

    THE OXIDATION OF ETHYLENE GLYCOL BY A SALT-REQUIRING BACTERIUM A Thesis by WILLIAM HORTON CASKEY Submitted to the Graduate College of Texas A&M University in partial fulfillment of the requirement for the degree of MASTER OF SCIENCE... December 1975 Major Subject: Microbiology THE OXIDATION OF ETHYLENE GLYCOL BY A SALT-REQUIRING BACTERIUM A Thesis by WILLIAM HORTON CASKEY Approved as to style and content by: '2~~m- P, &~- Chairman of Committee (Head o f D epar tment) Member...

  12. Post-transcriptional regulation of ethylene perception and signaling in Arabidopsis

    SciTech Connect (OSTI)

    Schaller, George Eric

    2014-03-19T23:59:59.000Z

    The simple gas ethylene functions as an endogenous regulator of plant growth and development, and modulates such energy relevant processes as photosynthesis and biomass accumulation. Ethylene is perceived in the plant Arabidopsis by a five-member family of receptors related to bacterial histidine kinases. Our data support a general model in which the receptors exist as parts of larger protein complexes. Our goals have been to (1) characterize physical interactions among members of the signaling complex; (2) the role of histidine-kinase transphosphorylation in signaling by the complex; and (3) the role of a novel family of proteins that regulate signal output by the receptors.

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

    DOE Patents [OSTI]

    Steinberg, Meyer (Huntington Station, NY); Fallon, Peter (East Moriches, NY)

    1986-01-01T23:59:59.000Z

    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.

  14. Effect of chronic exposure to low levels of ethylene on cotton during germination and early development

    E-Print Network [OSTI]

    Cowan, Elaine Nan

    1979-01-01T23:59:59.000Z

    for the degree of NASTER OF SCIENCE Auoust 1979 . "iajor Subject: Plant Physiology THE EFFECT OF CHRONIC EXPOSURE TO LON LEVELS OF ETHYLENE ON COTTON DURING GERMINATION AND EARLY DEVELOPMENT A Thesis by ELAINF NAN CONAN Approved as to sty1e and content... and Ryan indicated that endopeptidase reached a peak in activity 10 days after planting. Fumigation with 0. 5 ul/1 ethylene for 5 days prior to harvest inhibited this in- crease in activity. The present study was undertaken to deter- mine...

  15. Structure and dynamics of C60 molecules on Au(111)

    SciTech Connect (OSTI)

    Shin, Heekeun [Penn State University; Schwarze, A [Penn State University; Diehl, R D [Penn State University; Pussi, K [Lappeenranta University of Technology; Colombier, A [Universite de Lorraine; Gaudry, E. [Universite de Lorraine; Ledieu, J [Universite de Lorraine; McGuirk, G M [Universite de Lorraine; Serkovic Loli, L N [Universite de Lorraine; Fournee, V [Universite de Lorraine; Wang, Lin-Lin [Ames Laboratory; Schull, G [Universite de Strasbourg; Berndt, R [Christian-Albrechts-Universitt zu Kiel

    2014-06-01T23:59:59.000Z

    Earlier studies of C60 adsorption on Au(111) reported many interesting and complex features. We have performed coordinated low-energy electron diffraction, scanning tunneling microscopy (STM), and density functional theory studies to elucidate some of the details of the monolayer commensurate (2?3 × 2?3)R30° phase. We have identified the adsorption geometries of the two states that image as dim and bright in STM. These consist of a C60 molecule with a hexagon side down in a vacancy (hex-vac) and a C60 molecule with a carbon-carbon 6:6 bond down on a top site (6:6-top), respectively. We have studied the detailed geometries of these states and find that there is little distortion of the C60 molecules, but there is a rearrangement of the substrate near the C60 molecules. The two types of molecules differ in height, by about 0.7 Å, which accounts for most of the difference in their contrast in the STM images. The monolayer displays dynamical behavior, in which the molecules flip from bright to dim, and vice versa. We interpret this flipping as the result of the diffusion of vacancies in the surface layers of the substrate. Our measurements of the dynamics of this flipping from one state to the other indicate that the activation energy is 0.66 ± 0.03 eV for flips that involve nearest-neighbor C60 molecules, and 0.93 ± 0.03 for more distant flips. Based on calculated activation energies for vacancies diffusing in Au, we interpret these to be a result of surface vacancy diffusion and bulk vacancy diffusion. These results are compared to the similar system of Ag(111)-(2?3 × 2?3)R30°-C60. In both systems, the formation of the commensurate C60 monolayer produces a large number of vacancies in the top substrate layer that are highly mobile, effectively melting the interfacial metal layer at temperatures well below their normal melting temperatures.

  16. Single molecule fluorescence (the basics)

    E-Print Network [OSTI]

    Ritort, Felix

    "on" excitation Inter-system crossing #12;Broad separation: In-vitro approach - useful in Molecular ­ Molecular freedom of motion ­ Enzymatic activity ­ Reaction kinetics ­ Conformational dynamics · Microscopy ·is surrounded by 109 other molecules in 1 µm3 volume needs photon counting ! minimize excitation

  17. Thiol-modified poly(ethylene glycol)-conjugated gold/ superparamagnetic iron oxide nanoparticles

    E-Print Network [OSTI]

    Levin, Judith G.

    by their sizes with coating material (~20­ 3,500 nm in diameter) as large SPIO (LSPIO) nanoparticles, standard a strong Au-S bond. Kojima et al. (3) coated the Au/SPIO nanoparticles with a thiol- modified PEG (PEGThiol-modified poly(ethylene glycol)-conjugated gold/ superparamagnetic iron oxide nanoparticles

  18. Dissection of defense responses of skl, an ethylene insensitive mutant of Medicago truncatula

    E-Print Network [OSTI]

    Pedro, Uribe Mejia

    2004-11-15T23:59:59.000Z

    ..............................................................................................................................176 xi LIST OF FIGURES FIGURE 1 Ethylene signal transduction pathway................................................................16 2 Proposed plant defense responses to pathogens and insects .............................. 21 3... gene expression......................................................... 119 25 In silica analysis of Actin homologue TC85697. ............................................. 122 26 In silica analysis of His H3, TC85197...

  19. 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

    2012-02-13T23:59:59.000Z

    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.

  20. Supporting Information for Spectral studies of a Cr(PNP)-MAO system for selective ethylene

    E-Print Network [OSTI]

    Martin, Alain

    . High-purity polymer grade ethylene was obtained from Air Liquide and purified by passage through of UV-vis and EPR spectroscopic data S16 References S17 #12;S2 EXPERIMENTAL Materials and General Methods Commercial reagents were used as received without further purification. All air

  1. Wood plastic composites based on microfibrillar blends of high density polyethylene/poly(ethylene terephthalate)

    E-Print Network [OSTI]

    Wood plastic composites based on microfibrillar blends of high density polyethylene January 2010 Keywords: Wood plastic composites Poly(ethylene terephthalate) Polyethylene Extrusion a b into wood plastic composites through a two-step reactive extrusion technology. Wood flour was added into pre

  2. Stochastic model of lithium ion conduction in poly,,ethylene oxide... L. Gitelman,1

    E-Print Network [OSTI]

    Averbuch, Amir

    Stochastic model of lithium ion conduction in poly,,ethylene oxide... L. Gitelman,1 A. Averbuch,2,a of LiI salt. The current is due to diffusion and electric interactions with a permanent external field, the PEO charges, and ion-ion interactions. Potential barriers are created in the PEO by loops in structure

  3. Shape memory poly(3-caprolactone)-co-poly(ethylene glycol) foams with body temperature triggering and

    E-Print Network [OSTI]

    Mather, Patrick T.

    Shape memory poly(3-caprolactone)-co-poly(ethylene glycol) foams with body temperature triggering the fabrication of porous foams with shape memory triggering at body temperature. Employing a modified porogen are crosslinked via thiol­ene chemistry to generate highly porous foam scaffolds with shape memory capacity

  4. Process for separating an ethylenically unsaturated hydrocarbon from a hydrocarbon mixture

    SciTech Connect (OSTI)

    vanEijl, A.T.

    1986-06-24T23:59:59.000Z

    A process is described for separating an ethylenically unsaturated hydrocarbon from a hydrocarbon mixture characterized by: (a) distilling a hydrocarbon mixture containing the unsaturated hydrocarbon with an N-(aminoalkyl) piperazine; and (b) separating the amine/hydrocarbon mixture into at least two factions, one of which contains the amine and the unsaturated hydrocarbon.

  5. Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation

    E-Print Network [OSTI]

    Brenner, Donald W.

    Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation S.J.V. Frankland *, D hydrogen in individual single-shell carbon nanotubes and nanotube ropes using a semiclassical model. The calculations predict that isolated hydrogen molecules inside of nanotubes have a Raman frequency that increases

  6. Simulation of a small molecule analogue of a lithium ionomer in an external electric field

    SciTech Connect (OSTI)

    Waters, Sara M.; McCoy, John D., E-mail: mccoy@nmt.edu; Brown, Jonathan R. [Department of Materials Engineering, New Mexico Institute of Mining and Technology, Socorro, New Mexico 87801 (United States)] [Department of Materials Engineering, New Mexico Institute of Mining and Technology, Socorro, New Mexico 87801 (United States); Frischknecht, Amalie L. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)] [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

    2014-01-07T23:59:59.000Z

    We have investigated the ion dynamics in lithium-neutralized 2-pentylheptanoic acid, a small molecule analogue of a precise poly(ethylene-co-acrylic acid) lithium ionomer. Atomistic molecular dynamics simulations were performed in an external electric field. The electric field causes alignment of the ionic aggregates along the field direction. The energetic response of the system to an imposed oscillating electric field for a wide range of frequencies was tracked by monitoring the coulombic contribution to the energy. The susceptibility found in this manner is a component of the dielectric susceptibility typically measured experimentally. A dynamic transition is found and the frequency associated with this transition varies with temperature in an Arrhenius manner. The transition is observed to be associated with rearrangements of the ionic aggregates.

  7. Effect of Vinylene Carbonate on Graphite Anode Cycling Efficiency

    SciTech Connect (OSTI)

    Ridgway, Paul; Zheng, Honghe; Liu, Gao; Song, Xiangun; Ross, Philip; Battaglia, Vincent

    2009-05-05T23:59:59.000Z

    Vinylene Carbonate (VC) was added to the electrolyte in graphite-lithium half-cells. We report its effect on the coulombic efficiency (as capacity shift) of graphite electrodes under various formation cycling conditions. Cyclic voltammetry on glassy carbon showed that VC passivates the electrode against electrolyte reduction. The dQ/dV plots of the first lithiation of the graphite suggest that VC alters the SEI layer, and that by varying the cell formation rate, the initial ratio of ethylene carbonate to VC in the SEI layer can be controlled. VC was found to decrease first cycle efficiency and reversible capacity (in ongoing cycling) when used to excess. However, experiments with VC additive used with various formation rates did not show any decrease in capacity shift.

  8. Does water dope carbon nanotubes?

    SciTech Connect (OSTI)

    Bell, Robert A.; Payne, Michael C. [Theory of Condensed Matter Group, Cavendish Laboratory, Cambridge (United Kingdom); Mostofi, Arash A. [Department of Materials and Department of Physics, and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ (United Kingdom)

    2014-10-28T23:59:59.000Z

    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 Å, 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.

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

    SciTech Connect (OSTI)

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

    2011-06-01T23:59:59.000Z

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

  10. Imaging Oxygen Molecules Up Close | EMSL

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

    Imaging Oxygen Molecules Up Close Imaging Oxygen Molecules Up Close Released: March 20, 2011 ARRA-enabled upgrades enhance research capabilities STM images of the same TiO2(110)...

  11. Carbon Fiber

    ScienceCinema (OSTI)

    McGetrick, Lee

    2014-07-23T23:59:59.000Z

    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.

  12. Carbon Sequestration

    SciTech Connect (OSTI)

    None

    2013-05-06T23:59:59.000Z

    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.

  13. Carbon Fiber

    SciTech Connect (OSTI)

    McGetrick, Lee

    2014-04-17T23:59:59.000Z

    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.

  14. Synthesis of ethylene-propylene rubber graft copolymers by borane approach

    SciTech Connect (OSTI)

    Chung, T.C.; Janvikul, W.; Bernard, R.; Jiang, G.J. (Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering)

    1994-01-01T23:59:59.000Z

    This paper describes a new method to prepare graft copolymers which have an EP rubber backbone and several free radical polymerized polymers grafted thereto. The process involves hydroboration of commercial EPDM rubbers, such as poly(ethylene-co-propylene-co-1,4-hexadiene) and poly(ethylene-co-propylene-co-5-ethylidene-2-norbornene), with 9-borabicyclononane (9-BBN). The resulting secondary alkyl-9-BBN moieties in the EPDM copolymer were then exposed to oxygen in the presence of free radical polymerizable monomers. Under certain conditions, the selective autoxidation reaction of secondary alkyl-9-BBN took place to create desirable polymeric radicals which can in situ initiate free radical polymerization. High graft efficiency was observed with controllable copolymer compositions. The graft copolymer of EP-g-PMMA is used to show the chemistry as well as some of the physical properties.

  15. Pour-depressant activity of copolymers of ethylene with vinyl acetate in diesel fuel

    SciTech Connect (OSTI)

    Dushechkin, A.P.; Ivanov, V.I.; Elagin, A.L.; Levin, A.A.

    1987-01-01T23:59:59.000Z

    The authors investigate the influence of the degree of branching of the ethylene-vinyl acetate copolymers (EVAC) on the limiting filterability temperature and the solid point of diesel fuels. EVAC samples with identical contents of vinyl acetate and having a molecular weight of 4500-7200 were used. The pour-depressant activity of the copolymers was determined in diesel fuel. It is shown that the degree of branching of EVAC has a substantial influence on the depressant activity in diesel fuel.

  16. Intermittent Single-Molecule Interfacial Electron Transfer Dynamics...

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

    Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Intermittent Single-Molecule Interfacial Electron Transfer Dynamics. Abstract: We report on single molecule...

  17. Limiting diffusion coefficients of heavy molecular weight organic contaminants in supercritical carbon dioxide 

    E-Print Network [OSTI]

    Orejuela, Mauricio

    1994-01-01T23:59:59.000Z

    Carbon Dioxide. 5. Measured Diffusion Coefficients of Hexachlorobenzene in Supercritical Carbon Dioxide. 6. Measured Diffusion Coefficients of Pentachlorophenol in Supercritical Carbon Dioxide. 7. Carbon Dioxide Parameters as Determined by Empirical..., and for polyatomic solute and solvent molecules, A?was set to 0. 70. Erkey (1989) determined the translational-rotational coupling parameters for binary n-Alkane systems from measured diffusivity data at a wide range of densities. It was shown...

  18. Low Carbon Fuel Standards

    E-Print Network [OSTI]

    Sperling, Dan; Yeh, Sonia

    2009-01-01T23:59:59.000Z

    gas, or even coal with carbon capture and sequestration. Afuels that facilitate carbon capture and sequestration. Forenergy and could capture and sequester carbon emissions.

  19. Capturing carbon | EMSL

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

    carbon Released: October 02, 2011 New technology enables molecular-level insight into carbon sequestration Carbon sequestration is a potential solution for reducing greenhouse...

  20. THREE-CLUSTER NUCLEAR MOLECULES

    E-Print Network [OSTI]

    D. N. Poenaru; B. Dobrescu; W. Greiner

    2000-01-01T23:59:59.000Z

    A three-center phenomenological model able to explain, at least from a qualitative point of view, the difference in the observed yield of a particle-accompanied fission and that of binary fission was developed. It is derived from the liquid drop model under the assumption that the aligned configuration, with the emitted particle between the light and heavy fragment is obtained by increasing continuously the separation distance, while the radii of the light fragment and of the light particle are kept constant. During the first stage of the deformation one has a two-center evolution until the neck radius becomes equal to the radius of the emitted particle. Then the three center starts developing by decreasing with the same amount the two tip distances. In such a way a second minimum, typical for a cluster molecule, appears in the deformation energy. Examples are presented for 240 Pu parent nucleus emitting ?-particles and 14 C in a ternary process. 1

  1. Carbon supercapacitors

    SciTech Connect (OSTI)

    Delnick, F.M.

    1993-11-01T23:59:59.000Z

    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).

  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)

    2011-06-14T23:59:59.000Z

    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. Probing Single-Molecule Protein Conformational Dynamics. | EMSL

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

    Single-Molecule Protein Conformational Dynamics. Probing Single-Molecule Protein Conformational Dynamics. Abstract: Protein conformational fluctuations and dynamics, often...

  4. Dendrimer Templated Synthesis of One Nanometer Rh and Pt Particles Supported on Mesoporous Silica: Catalytic Activity for Ethylene and Pyrrole Hydrogenation.

    E-Print Network [OSTI]

    Huang, Wenyu

    2009-01-01T23:59:59.000Z

    Scheme 2) and pyrrole hydrogenation (Scheme 3). Synthesis ofSynthesis of One Nanometer Rh and Pt Particles Supported on Mesoporous Silica: Catalytic Activity for Ethylene and Pyrrole

  5. Carbon Storage Program

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

    Carbon Sequestration Partnership MSU . . . . . . . . . . . . . . . . . . . . . . . Montana State University MVA . . . . . . . . . . . . . . . . . . . . . . . Monitoring,...

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

    SciTech Connect (OSTI)

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

    2014-11-13T23:59:59.000Z

    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 packing—in the solid-state—to be scrutinized in detail.

  7. Miscibility of blends of poly(methyl methacrylate) and oligodiols based on a bisphenol A nucleus and ethylene oxide or propylene oxide branches

    E-Print Network [OSTI]

    B. Jaffrennou; E. R. Soule; F. Mechin; J. Borrajo; J. P. Pascault; R. J. J. Williams

    2013-11-21T23:59:59.000Z

    Cloud-point curves of blends of poly(methyl methacrylate) (PMMA) with a series of oligodiols based on a bisphenol A nucleus and short branches of poly(ethylene oxide) or poly(propylene oxide) (BPA-EO or BPA-PO), and with PEO and PPO oligomers, were obtained using a light transmission device. Experimental results were fitted with the Flory- Huggins model using an interaction parameter depending on both temperature and composition. For PMMA/PEO and PMMA/PPO blends, the miscibility increased when increasing the size of the diol, due to the significant decrease in the entropic and enthalpic terms contributing to the interaction parameter. This reflected the decrease in the selfassociation of solvent molecules and in the contribution of terminal OH groups to the mismatching of solubility parameters. For PMMA/BPA-EO blends, a decrease of the entropic contribution to the interaction parameter when increasing the size of the oligodiol was also found. However, the effect was counterbalanced by the opposite contribution of combinatorial terms leading to cloud-point curves located in approximately the same temperature range. For PMMA/BPA-PO blends, the interaction parameter exhibited a very low value. In this case, the effect of solvent size was much more important on combinatorial terms than on the interaction parameter, leading to an increase in miscibility when decreasing the oligodiol size. For short BPA-PO oligodiols no phase separation was observed. The entropic contribution of the interaction parameter exhibited an inverse relationship with the size of the oligodiols, independent of the nature of the chains bearing the hydroxyls and the type of OH groups (primary or secondary). This indicates that the degree of self-association of solvent molecules through their OH terminal groups, was mainly determined by their relative sizes.

  8. Chemical, mechanical, and thermal control of substrate-bound carbon nanotube growth

    E-Print Network [OSTI]

    Hart, Anastasios John, 1979-

    2006-01-01T23:59:59.000Z

    Carbon nanotubes (CNTs) are long molecules having exceptional properties, including several times the strength of steel piano wire at one fourth the density, at least five times the thermal conductivity of pure copper, and ...

  9. Low Carbon Fuel Standards

    E-Print Network [OSTI]

    Sperling, Dan; Yeh, Sonia

    2009-01-01T23:59:59.000Z

    gas, or even coal with carbon capture and sequestration. Afuels that facilitate carbon capture and sequestration. For

  10. Methanation of Carbon Dioxide

    E-Print Network [OSTI]

    Goodman, Daniel Jacob

    2013-01-01T23:59:59.000Z

    cycle plants, possibly with carbon capture and storage (CCS)natural gas plant with carbon capture and storage technology

  11. Methanation of Carbon Dioxide

    E-Print Network [OSTI]

    Goodman, Daniel Jacob

    2013-01-01T23:59:59.000Z

    gas plant with carbon capture and storage technology werewith carbon capture and storage (CCS) technology, to replace

  12. Carbon Additionality: Discussion Paper

    E-Print Network [OSTI]

    Carbon Additionality: A review Discussion Paper Gregory Valatin November 2009 Forest Research. Voluntary Carbon Standards American Carbon Registry Forest Carbon Project Standard (ACRFCPS) 27 CarbonFix Standard (CFS) 28 Climate, Community and Biodiversity Standard (CCBS) 28 Forest Carbon Standard (FCS) 28

  13. 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. [Corporate Research and Development Division, Hyundai-Kia Motors, Gyeonggi-do 445-706 (Korea); Anh, D.H. [Korea Electric Power Research Institute, Daejeon 305-380 (Korea); Chung, S.H. [School of Mechanical and Aerospace Engineering, Seoul National University, Seoul 151-742 (Korea)

    2008-08-15T23:59:59.000Z

    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)

  14. Single-Molecule Studies Supramolecular Chemistry at the Single-Molecule

    E-Print Network [OSTI]

    Bielefeld, Universität

    Single-Molecule Studies Supramolecular Chemistry at the Single-Molecule Level** Rainer Eckel, Robert Ros, Björn Decker, Jochen Mattay,* and Dario Anselmetti* In supramolecular chemistry[1 design, specificity, and molecular switching opens up the development of new molecular materials

  15. The effect of multiply reflected molecules in free molecule flow over a general body

    E-Print Network [OSTI]

    Powell, Gordon Lee

    1993-01-01T23:59:59.000Z

    A method was devised and calculations were performed to determine the effects of reflected molecules on the aerodynamic force and moment coefficients for a body in free molecule flow. A procedure was developed for determining the velocity...

  16. The effect of multiply reflected molecules in free molecule flow over a general body 

    E-Print Network [OSTI]

    Powell, Gordon Lee

    1993-01-01T23:59:59.000Z

    A method was devised and calculations were performed to determine the effects of reflected molecules on the aerodynamic force and moment coefficients for a body in free molecule flow. A procedure was developed for determining the velocity...

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

    DOE Patents [OSTI]

    Salafsky, Joshua S.; Eisenthal, Kenneth B.

    2005-10-11T23:59:59.000Z

    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.

  18. Beam-induced graphitic carbon cage transformation from sumanene aggregates

    SciTech Connect (OSTI)

    Fujita, Jun-ichi, E-mail: fujita@bk.tsukuba.ac.jp; Tachi, Masashi; Murakami, Katsuhisa [Institute of Applied Physics, University of Tsukuba, Tsukuba 305-8573 (Japan); Tsukuba Research Center for Interdisciplinary Materials Science (TIMS), Tsukuba 305-8573 (Japan); Sakurai, Hidehiro; Morita, Yuki; Higashibayashi, Shuhei [Research Center of Integrative Molecular Systems, Institute for Molecular Science, Myodaiji, Okazaki 444-8787 (Japan); Takeguchi, Masaki [Transmission Electron Microscopy Station, National Institute for Materials Science, Tsukuba 305-0047 (Japan)

    2014-01-27T23:59:59.000Z

    We found that electron-beam irradiation of sumanene aggregates strongly enhanced their transformation into a graphitic carbon cage, having a diameter of about 20?nm. The threshold electron dose was about 32 mC/cm{sup 2} at 200?keV, but the transformation is still induced at 20?keV. The transformation sequence suggested that the cage was constructed accompanied by the dynamical movement of the transiently linked sumanene molecules in order to pile up inside the shell. Thus, bond excitation in the sumanene molecules rather than a knock-on of carbon atoms seems to be the main cause of the cage transformation.

  19. Near-field single molecule spectroscopy

    SciTech Connect (OSTI)

    Xie, X.S.; Dunn, R.C.

    1995-02-01T23:59:59.000Z

    The high spatial resolution and sensitivity of near-field fluorescence microscopy allows one to study spectroscopic and dynamical properties of individual molecules at room temperature. Time-resolved experiments which probe the dynamical behavior of single molecules are discussed. Ground rules for applying near-field spectroscopy and the effect of the aluminum coated near-field probe on spectroscopic measurements are presented.

  20. Electron Correlation Effects in Molecules Krishnan Raghavachari*

    E-Print Network [OSTI]

    Anderson, James B.

    Technologies, Murray Hill, New Jersey 07974 James B. Anderson* Department of Chemistry, The PennsylVania State for the accurate treatment of the structures and energies of molecules. In this review, we give brief and somewhat of the structures and energies of molecules from first principles has long been a primary goal of quantum chemistry

  1. Susanta Kumar Sarkar Single Molecule Biophysics Laboratory

    E-Print Network [OSTI]

    Susanta Kumar Sarkar Single Molecule Biophysics Laboratory Department of Physics 1523 Illinois. 1994 ­ 1995 National Scholarship. Government of India. PUBLICATIONS 1. Susanta K. Sarkar, Ambika Bumb/711702 (2012). 2. Susanta K. Sarkar, Ambika Bumb, Maria Mills, and Keir C. Neuman. Single-Molecule Fluorescence

  2. Adsorption and Co-adsorption of Ethylene and Carbon Monoxide on Silica-Supported Monodisperse Pt Nanoparticles: Volumetric

    E-Print Network [OSTI]

    Yang, Peidong

    on the poisoning of the heterogeneously catalyzed conversion of hydrocarbons. 1. Introduction Lateral interactions conventional theory, such as Langmuir-Hinshelwood hetero- geneous kinetics.1,2 Interactions between adsorbates roughness (nano- particle size) on adsorbate-adsorbate interactions is important. Conventional theories

  3. Viscosity of copper oxide nanoparticles dispersed in ethylene glycol and water mixture

    SciTech Connect (OSTI)

    Namburu, Praveen K.; Kulkarni, Devdatta P.; Das, Debendra K. [Department of Mechanical Engineering, University of Alaska, Fairbanks, P.O. Box 755905, Fairbanks, AK 99775-5905 (United States); Misra, Debasmita [Department of Mining and Geological Engineering, University of Alaska, Fairbanks, P.O. Box 755905, Fairbanks, AK 99775-5905 (United States)

    2007-11-15T23:59:59.000Z

    Nanofluids are new kinds of fluids engineered by dispersing nanoparticles in base fluids. This paper presents an experimental investigation of rheological properties of copper oxide nanoparticles suspended in 60:40 (by weight) ethylene glycol and water mixture. Nanofluids of particle volume percentage ranging from 0% to 6.12% were tested. The experiments were carried over temperatures ranging from -35 C to 50 C to demonstrate their applicability in cold regions. For the particle volume concentrations tested, nanofluids exhibited Newtonian behavior. An experimental correlation was developed based on the data, which relates viscosity with particle volume percent and the nanofluid temperature. (author)

  4. The effects of ethylene dibromide on the reproductive system of male mice and male rabbits

    E-Print Network [OSTI]

    Hess, Kay

    1978-01-01T23:59:59.000Z

    Ethylene dibromide (EDB) is used as an addit1ve in leaded gasolines, as a fumigant and pesticide, as a solvent and as an intermediate to various products. But recently, due to some speculat1on, concern has grown over the possible effects of EDB... has terminated in ei ther conflicting reports or unpublished data. The newspapers caption front page articles--"Worries Are Growing Over Male Infertility Because of Job Hazards". And due to growing I Citations used on the following pages follow...

  5. The nature of chromium supported on silica gel as a catalyst in the polymerization of ethylene

    E-Print Network [OSTI]

    Beck, Donald Douglas

    1980-01-01T23:59:59.000Z

    of an anisotropic epr signal observed when activated chromium on alumina was reduced 20 with CQ and then exposed to NO. Several spectroscopic and chemical methods have been employed in this study to characterize the nitrosyl complex of chronu. um supported... bath at 24'C in a Dewar flask. The pre-cooling of the sample was in- tended to compensate for the heating of the catalyst when ethylene was adsorbed. Zn all cases, when the sample was exposed to C2H4, the temperature of the bed increased to 24'C...

  6. The properties of electrochromic film electrodes of lanthanide diphthalocyanines in ethylene glycol

    SciTech Connect (OSTI)

    Collins, G.C.S.; Schiffrin, D.J.

    1985-08-01T23:59:59.000Z

    The electrochromic properties of film electrodes of lutetium, erbium, gadolinium, and ytterbium diphthalocyanines in contact with ethylene glycol solutions have been studied. The stability of the electrochromic film under electrochemical cycling in this medium is at least three orders of magnitude better than that in neutral aqueous solutions. The stability of the electrochromic is improved if the film is written galvanostatically from the yellow-tan to the green state. A simplified model for the galvanostatic transition is proposed, and some of the problems of this family of electrochromic materials are discussed.

  7. Carbon Trading, Carbon Taxes and Social Discounting

    E-Print Network [OSTI]

    Weiblen, George D

    Carbon Trading, Carbon Taxes and Social Discounting Elisa Belfiori belf0018@umn.edu University of Minnesota Abstract This paper considers the optimal design of policies to carbon emissions in an economy, such as price or quantity controls on the net emissions of carbon, are insufficient to achieve the social

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

    SciTech Connect (OSTI)

    Longfellow, C.A. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

    1996-05-01T23:59:59.000Z

    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. Public Review Draft: A Method for Assessing Carbon Stocks, Carbon

    E-Print Network [OSTI]

    Public Review Draft: A Method for Assessing Carbon Stocks, Carbon Sequestration, and Greenhouse, and Zhu, Zhiliang, 2010, Public review draft; A method for assessing carbon stocks, carbon sequestration

  10. Carbon-Optimal and Carbon-Neutral Supply Chains

    E-Print Network [OSTI]

    Caro, F.; Corbett, C. J.; Tan, T.; Zuidwijk, R.

    2011-01-01T23:59:59.000Z

    Li, M. Daskin. 2009. Carbon Footprint and the Management ofThe Importance of Carbon Footprint Estimation Boundaries.Carbon accounting and carbon footprint - more than just

  11. Modeling Complex Organic Molecules in dense regions: Eley-Rideal and complex induced reaction

    E-Print Network [OSTI]

    Ruaud, M; Hickson, K M; Gratier, P; Hersant, F; Wakelam, V

    2014-01-01T23:59:59.000Z

    Recent observations have revealed the existence of Complex Organic Molecules (COMs) in cold dense cores and prestellar cores. The presence of these molecules in such cold conditions is not well understood and remains a matter of debate since the previously proposed "warm- up" scenario cannot explain these observations. In this article, we study the effect of Eley- Rideal and complex induced reaction mechanisms of gas-phase carbon atoms with the main ice components of dust grains on the formation of COMs in cold and dense regions. Based on recent experiments we use a low value for the chemical desorption efficiency (which was previously invoked to explain the observed COM abundances). We show that our introduced mechanisms are efficient enough to produce a large amount of complex organic molecules in the gas-phase at temperatures as low as 10K.

  12. Single Molecule Spectroscopy of Electron Transfer

    SciTech Connect (OSTI)

    Michael Holman; Ling Zang; Ruchuan Liu; David M. Adams

    2009-10-20T23:59:59.000Z

    The objectives of this research are threefold: (1) to develop methods for the study electron transfer processes at the single molecule level, (2) to develop a series of modifiable and structurally well defined molecular and nanoparticle systems suitable for detailed single molecule/particle and bulk spectroscopic investigation, (3) to relate experiment to theory in order to elucidate the dependence of electron transfer processes on molecular and electronic structure, coupling and reorganization energies. We have begun the systematic development of single molecule spectroscopy (SMS) of electron transfer and summaries of recent studies are shown. There is a tremendous need for experiments designed to probe the discrete electronic and molecular dynamic fluctuations of single molecules near electrodes and at nanoparticle surfaces. Single molecule spectroscopy (SMS) has emerged as a powerful method to measure properties of individual molecules which would normally be obscured in ensemble-averaged measurement. Fluctuations in the fluorescence time trajectories contain detailed molecular level statistical and dynamical information of the system. The full distribution of a molecular property is revealed in the stochastic fluctuations, giving information about the range of possible behaviors that lead to the ensemble average. In the case of electron transfer, this level of understanding is particularly important to the field of molecular and nanoscale electronics: from a device-design standpoint, understanding and controlling this picture of the overall range of possible behaviors will likely prove to be as important as designing ia the ideal behavior of any given molecule.

  13. 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)

    2014-09-14T23:59:59.000Z

    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.

  14. 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

    2013-04-04T23:59:59.000Z

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN){sub 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 P2{sub 1}/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, {beta} = 96.141(2){degrees|, V = 2767.4(4) Å{sup 3}, Z = 4, D{sub c} = 1.46 g cm{sup -1}. Ni(bpene)[Ni(CN){sub 4}] assumes a pillared layer structure with layers defined by Ni[Ni(CN){sub 4}]{sub 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){sub 4}](1/2)bpene.DMSO.2H{sub 2}O, or Ni{sub 2}N{sub 7}C{sub 24}H{sub 2}.5SO{sub 3}. 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 CO{sub 2} uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO{sub 2} uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO{sub 2} per unit cell was obtained.

  15. DOI: 10.1002/cphc.200600390 Identification of the D3h Isomer of Carbon

    E-Print Network [OSTI]

    Kaiser, Ralf I.

    the 18 O isotope enrichment of stratospheric carbon dioxide on Earth[11­14] and the regeneration- alous 18 O isotope enrichment. The geometry of the CO3 intermedi- ate plays an important role in understanding the nonthermal chemistry of the carbon dioxide molecule (CO2) and the inherent 18 O isotope

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

    SciTech Connect (OSTI)

    Thiele, Cornelius, E-mail: Cornelius.Thiele@kit.edu [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany) [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); DFG Center for Functional Nanostructures (CFN), 76028 Karlsruhe (Germany); Vieker, Henning; Beyer, André; Gölzhäuser, Armin [Faculty of Physics, Bielefeld University, 33615 Bielefeld (Germany)] [Faculty of Physics, Bielefeld University, 33615 Bielefeld (Germany); Flavel, Benjamin S.; Hennrich, Frank [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany)] [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); Muñoz Torres, David; Eaton, Thomas R. [Department of Chemistry, University of Basel, 4056 Basel (Switzerland)] [Department of Chemistry, University of Basel, 4056 Basel (Switzerland); Mayor, Marcel [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany) [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); DFG Center for Functional Nanostructures (CFN), 76028 Karlsruhe (Germany); Department of Chemistry, University of Basel, 4056 Basel (Switzerland); Kappes, Manfred M. [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany) [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); DFG Center for Functional Nanostructures (CFN), 76028 Karlsruhe (Germany); Institut für Physikalische Chemie, Karlsruhe Institute of Technology, 76131 Karlsruhe (Germany); Löhneysen, Hilbert v. [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany) [Institute of Nanotechnology, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); DFG Center for Functional Nanostructures (CFN), 76028 Karlsruhe (Germany); Physikalisches Institut, Karlsruhe Institute of Technology, 76128 Karlsruhe (Germany); Institut für Festkörperphysik, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); and others

    2014-03-10T23:59:59.000Z

    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.

  17. Final Report: Cooling Molecules with Laser Light

    SciTech Connect (OSTI)

    Di Rosa, Michael D. [Los Alamos National Laboratory

    2012-05-08T23:59:59.000Z

    Certain diatomic molecules are disposed to laser cooling in the way successfully applied to certain atoms and that ushered in a revolution in ultracold atomic physics, an identification first made at Los Alamos and which took root during this program. Despite their manipulation into numerous achievements, atoms are nonetheless mundane denizens of the quantum world. Molecules, on the other hand, with their internal degrees of freedom and rich dynamical interplay, provide considerably more complexity. Two main goals of this program were to demonstrate the feasibility of laser-cooling molecules to the same temperatures as laser-cooled atoms and introduce a means for collecting laser-cooled molecules into dense ensembles, a foundational start of studies and applications of ultracold matter without equivalence in atomic systems.

  18. Adsorption of Atoms and Molecules Physisorption

    E-Print Network [OSTI]

    Glashausser, Charles

    Adsorption of Atoms and Molecules Physisorption Chemisorption Surface Bonding Kinetics of Adsorption/Diffusion/Desorption (Scattering Dynamics) #12;Outcomes of Collision Process Rebound (elastically or inelastically) Elastic Scattering Inelastic Scattering Accomodation (thermalizing) Adsorption E V(r) r

  19. Size adjustable separation of biologically active molecules

    E-Print Network [OSTI]

    Gutierrez, Mauricio R. (Mauricio Roberto)

    2004-01-01T23:59:59.000Z

    Separation of biologically active molecules (BAM's) is a problem for the pharmaceutical and biotechnology industries. Current technologies addressing this problem require too many techniques, toxic additives, and time to ...

  20. The Escape Rate of a Molecule

    E-Print Network [OSTI]

    Andreas Knauf; Markus Krapf

    2008-05-06T23:59:59.000Z

    We show existence and give an implicit formula for the escape rate of the n-centre problem of celestial mechanics for high energies. Furthermore we give precise computable estimates of this rate. This exponential decay rate plays an important role especially in semiclassical scattering theory of n-atomic molecules. Our result shows that the diameter of a molecule is measurable in a (classical) high-energy scattering experiment.

  1. Recovery of tritium from tritiated molecules

    DOE Patents [OSTI]

    Swansiger, W.A.

    1984-10-17T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Bakajin, Olgica (San Leandro, CA); Noy, Aleksandr (Belmont, CA)

    2007-11-06T23:59:59.000Z

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

  3. CALIFORNIA CARBON SEQUESTRATION THROUGH

    E-Print Network [OSTI]

    CALIFORNIA ENERGY COMMISSION CARBON SEQUESTRATION THROUGH CHANGES IN LAND USE IN WASHINGTON. Carbon Sequestration Through Changes in Land Use in Washington: Costs and Opportunities. California for Terrestrial Carbon Sequestration in Oregon. Report to Winrock International. #12;ii #12;iii Preface

  4. Photophysics of carbon nanotubes

    E-Print Network [OSTI]

    Samsonidze, Georgii G

    2007-01-01T23:59:59.000Z

    This thesis reviews the recent advances made in optical studies of single-wall carbon nanotubes. Studying the electronic and vibrational properties of carbon nanotubes, we find that carbon nanotubes less than 1 nm in ...

  5. Unwinding of circular helicoidal molecules versus size

    E-Print Network [OSTI]

    Marco Zoli

    2015-04-12T23:59:59.000Z

    The thermodynamical stability of a set of circular double helical molecules is analyzed by path integral techniques. The minicircles differ only in \\textit{i)} the radius and \\textit{ii)} the number of base pairs ($N$) arranged along the molecule axis. Instead, the rise distance is kept constant. For any molecule size, the computational method simulates a broad ensemble of possible helicoidal configurations while the partition function is a sum over the path trajectories describing the base pair fluctuational states. The stablest helical repeat of every minicircle is determined by free energy minimization. We find that, for molecules with $N$ larger than $100$, the helical repeat grows linearly with the size and the twist number is constant. On the other hand, by reducing the size below $100$ base pairs, the double helices sharply unwind and the twist number drops to one for $N=\\,20$. This is predicted as the minimum size for the existence of helicoidal molecules in the closed form. The helix unwinding appears as a strategy to release the bending stress associated to the circularization of the molecules.

  6. Sol-gel method for encapsulating molecules

    DOE Patents [OSTI]

    Brinker, C. Jeffrey (Albuquerque, NM); Ashley, Carol S. (Albuquerque, NM); Bhatia, Rimple (Albuquerque, NM); Singh, Anup K. (San Francisco, CA)

    2002-01-01T23:59:59.000Z

    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.

  7. Electric field induced switching of poly,,ethylene glycol... terminated self-assembled monolayers: A parallel molecular dynamics simulation

    E-Print Network [OSTI]

    Southern California, University of

    : A parallel molecular dynamics simulation Satyavani Vemparala, Rajiv K. Kalia, Aiichiro Nakano, and Priya on the atomistic structure of PEG terminated SAMs using molecular dynamics simulations on parallel computersElectric field induced switching of poly,,ethylene glycol... terminated self-assembled monolayers

  8. Characterization of ethylene biosynthesis in cotton (Gossypium hirsutum L.) fruiting form as a means to improve early season fruit set

    E-Print Network [OSTI]

    Campbell, Terry Ray

    1994-01-01T23:59:59.000Z

    's preliminary studies found much more of an effect of a BASF inhibitor of ethylene production on cotton flowers than on the vegetative tissue, a unique ACC synthase, N-malonyl ACC transferase or ACC oxidase may exist in cotton flowers. This may offer...

  9. Nanostructure and Shape Control in Polymer-Ceramic Hybrids from Poly(ethylene oxide)-block-Poly(hexyl

    E-Print Network [OSTI]

    Gruner, Sol M.

    #12;Nanostructure and Shape Control in Polymer-Ceramic Hybrids from Poly(ethylene oxide: amphiphiles; block copolymers; morphology; nanocomposites; structure-directing agent Introduction The study of amphiphilic block copolymer-derived, organic- inorganic hybrid materials is an emerging research field

  10. Luminous carbon stars in the Magellanic Clouds

    E-Print Network [OSTI]

    Jacco Th. van Loon; Albert A. Zijlstra; M. A. T. Groenewegen

    1999-02-19T23:59:59.000Z

    We present ground-based 3 micron spectra of obscured Asymptotic Giant Branch (AGB) stars in the Magellanic Clouds (MCs). We identify the carbon stars on the basis of the 3.1 micron absorption by HCN and C2H2 molecules. We show evidence for the existence of carbon stars up to the highest AGB luminosities (Mbol=-7 mag, for a distance modulus to the LMC of 18.7 mag). This proves that Hot Bottom Burning (HBB) cannot, in itself, prevent massive AGB stars from becoming carbon star before leaving the AGB. It also sets an upper limit to the distance modulus of the Large Magellanic Cloud of 18.8 mag. The equivalent width of the absorption band decreases with redder (K-L) colour when the dust continuum emission becomes stronger than the photospheric emission. Carbon stars with similar (K-L) appear to have equally strong 3 micron absorption in the MCs and the Milky Way. We discuss the implications for the carbon and nitrogen enrichment of the stellar photosphere of carbon stars.

  11. Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production

    E-Print Network [OSTI]

    Narasayya, Vivek

    #12;Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production Toward

  12. Carbon Code Requirements for voluntary carbon sequestration projects

    E-Print Network [OSTI]

    Woodland Carbon Code Requirements for voluntary carbon sequestration projects ® Version 1.2 July trademark 10 3. Carbon sequestration 11 3.1 Units of carbon calculation 11 3.2 Carbon baseline 11 3.3 Carbon leakage 12 3.4 Project carbon sequestration 12 3.5 Net carbon sequestration 13 4. Environmental quality 14

  13. Previous Article: Carbon Nanotubes Coated in Bee Venom

    E-Print Network [OSTI]

    Ruina, Andy L.

    Previous Article: Carbon Nanotubes Coated in Bee Venom Can Detect Even a Single Molecule-so-blazing 1.3 miles per hour for 397.75 laps around a running track, but managed to make the whole trek using permission is prohibited. 05/12/11 at 10:32 am Utterly useless, except for use on dry lake beds, and paved

  14. Method of making carbon-carbon composites

    DOE Patents [OSTI]

    Engle, Glen B. (16716 Martincoit Rd., Poway, CA 92064)

    1993-01-01T23:59:59.000Z

    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. Carbon Fiber Technology Facility

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

    The Carbon Fiber Technology Facility is relevant in proving the scale- up of low-cost carbon fiber precursor materials and advanced manufacturing technologies * Significant...

  16. Motivating carbon dioxide | EMSL

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

    Motivating carbon dioxide Motivating carbon dioxide Released: April 17, 2013 Scientists show what it takes to get the potential fuel feedstock to a reactive spot on a model...

  17. Cathodic disbondment resistance with reactive ethylene terpolymer blends and composite coatings

    E-Print Network [OSTI]

    Love, Corey T.

    2008-01-01T23:59:59.000Z

    corrosion control of metals is continually important in the marine, oil andcorrosion preventative measure is used most frequently for coated carbon steels in buried pipe, oil and

  18. Molecular simulations of the transport of molecules across the...

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

    simulations of the transport of molecules across the liquidvapor interface of water. Molecular simulations of the transport of molecules across the liquidvapor interface of...

  19. 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...

  20. Carbon Capture (Carbon Cycle 2.0)

    ScienceCinema (OSTI)

    Smit, Berend

    2011-06-08T23:59:59.000Z

    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/

  1. The reaction dynamics of alkali dimer molecules and electronically excited alkali atoms with simple molecules

    SciTech Connect (OSTI)

    Hou, H. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

    1995-12-01T23:59:59.000Z

    This dissertation presents the results from the crossed molecular beam studies on the dynamics of bimolecular collisions in the gas phase. The primary subjects include the interactions of alkali dimer molecules with simple molecules, and the inelastic scattering of electronically excited alkali atoms with O{sub 2}. The reaction of the sodium dimers with oxygen molecules is described in Chapter 2. Two reaction pathways were observed for this four-center molecule-molecule reaction, i.e. the formations of NaO{sub 2} + Na and NaO + NaO. NaO{sub 2} products exhibit a very anisotropic angular distribution, indicating a direct spectator stripping mechanism for this reaction channel. The NaO formation follows the bond breaking of O{sub 2}, which is likely a result of a charge transfer from Na{sub 2} to the excited state orbital of O{sub 2}{sup {minus}}. The scattering of sodium dimers from ammonium and methanol produced novel molecules, NaNH{sub 3} and Na(CH{sub 3}OH), respectively. These experimental observations, as well as the discussions on the reaction dynamics and the chemical bonding within these molecules, will be presented in Chapter 3. The lower limits for the bond dissociation energies of these molecules are also obtained. Finally, Chapter 4 describes the energy transfer between oxygen molecules and electronically excited sodium atoms.

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

    DOE Patents [OSTI]

    Meyerowitz, Elliott M. (Pasadena, CA); Chang, Caren (Pasadena, CA); Bleecker, Anthony B. (Madison, WI)

    2001-01-01T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Schrodi, Yann (Agoura Hills, CA)

    2011-11-29T23:59:59.000Z

    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.

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

    DOE Patents [OSTI]

    Schrodi, Yann

    2013-07-09T23:59:59.000Z

    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. 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.

    1986-06-01T23:59:59.000Z

    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.

  6. First results from electron-photon damage equivalence studies on a generic ethylene-propylene rubber

    SciTech Connect (OSTI)

    Buckalew, W.H.

    1986-04-01T23:59:59.000Z

    As part of a simulator adequacy assessment program, the relative effectiveness of electrons and photons to produce damage in a generic ethylene propylene rubber (EPR) has been investigated. The investigation was limited in extent in that a single EPR material, in three thickness, was exposed to Cobalt-60 photons and three electron beam energies. Basing material damage on changes in the EPR mechanical properties elongation and tensile strength, we observed that EPR damage was a smoothly varying function of absorbed energy and independent of irradiating particle type. EPR damage tracked equally well as a function of both incident particle energy and material front surface dose. Based on these preliminary data, we tentatively concluded that a correlation between particle, particle energy, and material damage (as measured by changes in material elongation and/or tensile strength) has been demonstrated. 14 figs.

  7. Endovascular Embolization of Visceral Artery Aneurysms with Ethylene-vinyl Alcohol (Onyx): A Case Series

    SciTech Connect (OSTI)

    Bratby, M.J.; Lehmann, E.D. [St. George's Hospital, Department of Radiology (United Kingdom); Bottomley, J.; Kessel, D.O.; Nicholson, A.A.; McPherson, S.J. [Leeds Teaching Hospitals NHS Trust, Department of Radiology (United Kingdom); Morgan, R.A.; Belli, A.-M. [St. George's Hospital, Department of Radiology (United Kingdom)], E-mail: Anna.Belli@stgeorges.nhs.uk

    2006-12-15T23:59:59.000Z

    We report the application of the liquid embolic agent ethylene-vinyl alcohol (Onyx; MicroTherapeutics, Irvine, CA, USA) in the management of visceral artery aneurysms. The technique and indications for using Onyx are discussed with emphasis on the management of wide-necked aneurysms and maintenance of patency of the parent vessel. None of the cases was considered suitable for stent-grafting or embolization with conventional agents. Two aneurysms of the renal artery bifurcation and one aneurysm of the inferior pancreaticoduodenal artery were treated. Following treatment there was complete exclusion of all aneurysms. There was no evidence of end-organ infarction. Follow-up with intervals up to 6 months has shown sustained aneurysm exclusion. Onyx is known to be effective in the management of intracranial aneurysms. Our experience demonstrates the efficacy and applicability of the use of Onyx in the treatment of complex visceral artery aneurysms.

  8. Composite carbon foam electrode

    DOE Patents [OSTI]

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

    1997-05-06T23:59:59.000Z

    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.

  9. Composite carbon foam electrode

    DOE Patents [OSTI]

    Mayer, Steven T. (San Leandro, CA); Pekala, Richard W. (Pleasant Hill, CA); Kaschmitter, James L. (Pleasanton, CA)

    1997-01-01T23:59:59.000Z

    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.

  10. CARBON ISOTOPE AND ISOTOPOMER FRACTIONATION IN COLD DENSE CLOUD CORES

    SciTech Connect (OSTI)

    Furuya, Kenji; Aikawa, Yuri [Department of Earth and Planetary Sciences, Kobe University, Kobe 657-8501 (Japan); Sakai, Nami; Yamamoto, Satoshi, E-mail: furuya@stu.kobe-u.ac.jp [Department of Physics and Research Center for the Early Universe, University of Tokyo, Bunkyo-ku, Tokyo 113-003 (Japan)

    2011-04-10T23:59:59.000Z

    We construct a gas-grain chemical network model which includes carbon isotopes ({sup 12}C and {sup 13}C) with an emphasis on isotopomer-exchange reactions. Temporal variations of molecular abundances, the carbon isotope ratios ({sup 12}CX/{sup 13}CX), and the isotopomer ratios ({sup 12}C{sup 13}CX/{sup 13}C{sup 12}CX) of CCH and CCS in cold dense cloud cores are investigated by numerical calculations. We confirm that the isotope ratios of molecules, both in the gas phase and grain surfaces, are significantly different depending on whether the molecule is formed from the carbon atom (ion) or the CO molecule. Molecules formed from carbon atoms have CX/{sup 13}CX ratios greater than the elemental abundance ratio of [{sup 12}C/{sup 13}C]. On the other hand, molecules formed from CO molecules have CX/{sup 13}CX ratios smaller than the [{sup 12}C/{sup 13}C] ratio. We reproduce the observed C{sup 13}CH/{sup 13}CCH ratio in TMC-1, if the isotopomer-exchange reaction, {sup 13}CCH + H {r_reversible} C{sup 13}CH + H + 8.1 K, proceeds with the forward rate coefficient k{sub f} > 10{sup -11} cm{sup 3} s{sup -1}. However, the C{sup 13}CS/{sup 13}CCS ratio is lower than that observed in TMC-1. We then assume the isotopomer-exchange reaction catalyzed by the H atom, {sup 13}CCS + H {r_reversible} C{sup 13}CS + H + 17.4 K. In the model with this reaction, we reproduce the observed C{sup 13}CS/{sup 13}CCS, CCS/C{sup 13}CS, and CCS/{sup 13}CCS ratios simultaneously.

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

    SciTech Connect (OSTI)

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

    2011-05-01T23:59:59.000Z

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

  12. Research Summary Carbon Additionality

    E-Print Network [OSTI]

    of the quality assurance of emissions reduction and carbon sequestration activities, but remains a source of muchResearch Summary Carbon Additionality Additionality is widely considered to be a core aspect controversy in national carbon accounting, international regulatory frameworks and carbon markets. A review

  13. Acetylenic carbon allotrope

    DOE Patents [OSTI]

    Lagow, R.J.

    1998-02-10T23:59:59.000Z

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

  14. Carbon Monoxide Environmental Public

    E-Print Network [OSTI]

    The National Workgroup on Carbon Monoxide Surveillance Formed in April 2005 Membership: EPHT grantees Academic

  15. The Woodland Carbon Code

    E-Print Network [OSTI]

    The Woodland Carbon Code While society must continue to make every effort to reduce greenhouse gas a role by removing carbon dioxide from the atmosphere. The potential of woodlands to soak up carbon to help compensate for their carbon emissions. But before investing in such projects, people want to know

  16. Environment Assisted Quantum Transport in Organic Molecules

    E-Print Network [OSTI]

    Vattay, Gabor

    2015-01-01T23:59:59.000Z

    One of the new discoveries in quantum biology is the role of Environment Assisted Quantum Transport (ENAQT) in excitonic transport processes. In disordered quantum systems transport is most efficient when the environment just destroys quantum interferences responsible for localization, but the coupling does not drive the system to fully classical thermal diffusion yet. This poised realm between the pure quantum and the semi-classical domains has not been considered in other biological transport processes, such as charge transport through organic molecules. Binding in receptor-ligand complexes is assumed to be static as electrons are assumed to be not able to cross the ligand molecule. We show that ENAQT makes cross ligand transport possible and efficient between certain atoms opening the way for the reorganization of the charge distribution on the receptor when the ligand molecule docks. This new effect can potentially change our understanding how receptors work. We demonstrate room temperature ENAQT on the c...

  17. Mesoporous carbon materials

    SciTech Connect (OSTI)

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

    2014-09-09T23:59:59.000Z

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

  18. 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)

    2011-09-15T23:59:59.000Z

    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.

  19. Cold Light from Hot Atoms and Molecules

    SciTech Connect (OSTI)

    Lister, Graeme [OSRAM SYLVANIA, CRSL, 71 Cherry Hill Drive, Beverly, MA (United States); Curry, John J. [National Institute of Standards and Technology, Gaithersburg, MD (United States)

    2011-05-11T23:59:59.000Z

    The introduction of rare earth atoms and molecules into lighting discharges led to great advances in efficacy of these lamps. Atoms such as Dy, Ho and Ce provide excellent radiation sources for lighting applications, with rich visible spectra, such that a suitable combination of these elements can provide high quality white light. Rare earth molecules have also proved important in enhancing the radiation spectrum from phosphors in fluorescent lamps. This paper reviews some of the current aspects of lighting research, particularly rare earth chemistry and radiation, and the associated fundamental atomic and molecular data.

  20. First-Principles Simulations of Chemical Reactions in an HCl Molecule Embedded inside a C or BN Nanotube Induced by Ultrafast Laser Pulses

    SciTech Connect (OSTI)

    Miyamoto, Yoshiyuki [Green Innovation Research Laboratories, NEC Corporation, 34 Miyukigaoka, Tsukuba 305-8501 (Japan); Zhang Hong [School of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Rubio, Angel [Nano-Bio Spectroscopy group and ETSF Scientific Development Centre, Department Fisica de Materiales, Universidad del Pais Vasco, Avenida de Tolosa 72, E-20018 San Sebastian (Spain)

    2010-12-10T23:59:59.000Z

    We show by first-principles simulations that ultrafast laser pulses induce different chemical reactions in a molecule trapped inside a nanotube. A strong laser pulse polarized perpendicular to the tube axis induces a giant bond stretch of an encapsulated HCl molecule in semiconducting carbon nanotube or in a BN nanotube. Depending on the initial orientation of the HCl molecule, the subsequent laser-induced dynamics is different: either complete disintegration or rebonding of the HCl molecule. Radial motion of the nanotube is always observed and a vacancy appears on the tube wall when the HCl is perpendicular to the tube axis. Those results are important to analyze confined nanochemistry and to manipulate molecules and nanostructures encapsulated in organic and inorganic nanotubes.

  1. Localization of the production of 1-aminocyclopropane-1-carboxylic acid and its conversion to ethylene during the rhythmic production of the gas in Sorghum bicolor seedlings

    E-Print Network [OSTI]

    Gohil, Hemantkumar Laxmansinh

    2002-01-01T23:59:59.000Z

    Studies were conducted to determine where in the plant 1-aminocyclopropane-1-carboxylic acid (ACC) is made and converted to ethylene in Sorghum bicolor seedlings producing the gas in circadian rhythms. For the first time, a natural enzyme was used...

  2. Small Angle Neutron Scattering Study of Conformation of Oligo(ethylene glycol)-Grafted Polystyrene in Dilute Solutions: Effect of the Backbone Length

    E-Print Network [OSTI]

    Small Angle Neutron Scattering Study of Conformation of Oligo(ethylene glycol)- Grafted Polystyrene Fengjun Hua,2 Kunlun Hong,2 and Jimmy W. Mays2 1Neutron Scattering Sciences Division, ORNL 2Center

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

    SciTech Connect (OSTI)

    Krasnokutski, S. A.; Huisken, F. [Laboratory Astrophysics Group of the Max Planck Institute for Astronomy at the Friedrich Schiller University Jena, Helmholtzweg 3, D-07743 Jena (Germany)

    2014-09-15T23:59:59.000Z

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

  4. Thermodynamics for single-molecule stretching experiments

    E-Print Network [OSTI]

    Kjelstrup, Signe

    Thermodynamics for single-molecule stretching experiments J.M. Rubi,a D. Bedeauxb and S. Kjelstrupb, Trondheim, 7491-Norway May 3, 2006 Abstract We show how to construct non-equilibrium thermodynamics for systems too small to be considered thermodynamically in a traditional sense. Through the use of a non

  5. Paradoxical Signaling by a Secreted Molecule Leads

    E-Print Network [OSTI]

    *Correspondence: nir.friedman@weizmann.ac.il http://dx.doi.org/10.1016/j.cell.2014.07.033 SUMMARY A widespread molecule can induce opposite effects in the responding cells. For example, the cytokine IL-2 can promote to the paradoxical effect of IL-2, which increases the proliferation rate cooperatively and the death rate linearly

  6. Atomic Carbon in the Envelopes of Carbon-Rich Post-AGB Stars

    E-Print Network [OSTI]

    G. R. Knapp; M. Crosas; K. Young; Z. Ivezic

    1999-12-23T23:59:59.000Z

    Atomic carbon has been detected in the envelopes of three carbon-rich evolved stars: HD 44179 (=AFGL 915, the `Red Rectangle'); HD 56126; and, tentatively, the carbon star V Hya. This brings to seven the number of evolved star envelopes in which CI has been detected. Upper limits were found for several other stars, including R CrB. CI was not detected in several oxygen rich post asymptotic giant branch (AGB) stars (OH231.8+4.2, for example), although it is detected in their carbon-rich analogues. Two trends are evident in the data. First, circumstellar envelopes with detectable CI are overwhelmingly carbon rich, suggesting that much of the CI is produced by the dissociation of molecules other than CO. Second, the more evolved the envelope away from the AGB, the higher is the CI/CO ratio. The oxygen-rich supergiant star Alpha Ori remains the only oxygen rich star with a wind containing detectable CI. These data suggest an evolutionary sequence for the CI/CO ratio in cool circumstellar envelopes. This ratio is small (a few %) while the star is on the AGB, and the CI is located in the outer envelope and produced by photodissociation. The ratio increases to about 0.5 as the star evolves away from the AGB because of the dissociation of CO and other carbon-bearing molecules by shocks caused by the fast winds which appear at the end of evolution on the AGB. Finally, the ratio becomes >> 1 as the central star becomes hot enough to photodissociate CO.

  7. Soil metagenomics and carbon cycling

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

    and carbon cycling Establishing a foundational understanding of the microbial and ecosystem factors that control carbon cycling to improve climate modeling and carbon...

  8. Carbon Nanostructure-Based Sensors

    E-Print Network [OSTI]

    Sarkar, Tapan

    2012-01-01T23:59:59.000Z

    Control of Single-Walled Carbon Nanotube Functionalization.M. S. Characterizing carbon nanotube samples with resonancewith a Single-Walled Carbon Nanotube Capacitor. Science

  9. Large Magnetization at Carbon Surfaces

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

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

  10. The Australian terrestrial carbon budget

    E-Print Network [OSTI]

    2013-01-01T23:59:59.000Z

    Australian terrestrial carbon budget Open Access 3 , G. P.The Australian terrestrial carbon budget Luo, C. , Mahowald,terrestrial carbon budget Richards, G. P. , Borough, C. ,

  11. THE ABUNDANCE OF CARBON DIOXIDE ICE IN THE QUIESCENT INTRACLOUD MEDIUM D. C. B. Whittet,1,2

    E-Print Network [OSTI]

    Gerakines, Perry

    THE ABUNDANCE OF CARBON DIOXIDE ICE IN THE QUIESCENT INTRACLOUD MEDIUM D. C. B. Whittet,1,2 S. S: ISM: lines and bands -- ISM: molecules 1. INTRODUCTION Carbon dioxide (CO2) has proven to be a common embedded sources. Key properties include abundance relative to other ice constituents and dust extinction

  12. 2 Accessibility of pores in coal to methane and carbon dioxide 3 Yuri B. Melnichenko a,b,

    E-Print Network [OSTI]

    1 2 Accessibility of pores in coal to methane and carbon dioxide 3 Yuri B. Melnichenko a,b, , Lilin inorganic and organic solutes (including 56 hydrocarbons) and gaseous species (e.g. carbon dioxide, CO2, the chemical and physical properties of the solid and fluid phases collectively dictate how fluid 35molecules

  13. Carbon fuel cells with carbon corrosion suppression

    DOE Patents [OSTI]

    Cooper, John F. (Oakland, CA)

    2012-04-10T23:59:59.000Z

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

  14. 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.

    2012-06-01T23:59:59.000Z

    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.

  15. Molecules 2013, 18, 5761-5778; doi:10.3390/molecules18055761 ISSN 1420-3049

    E-Print Network [OSTI]

    Floeter, Sergio Ricardo

    faecalis (ATCC 29212), Pseudomonas aeruginosa (ATCC 27853), Escherichia coli (ATCC 25922) and Candida.mdpi.com/journal/molecules Article Anti-Infective Potential of Marine Invertebrates and Seaweeds from the Brazilian Coast Éverson

  16. Studies Relevent to Catalytic Activation Co & other small Molecules

    SciTech Connect (OSTI)

    Ford, Peter C

    2005-02-22T23:59:59.000Z

    Detailed annual and triannual reports describing the progress accomplished during the tenure of this grant were filed with the Program Manager for Catalysis at the Office of Basic Energy Sciences. To avoid unnecessary duplication, the present report will provide a brief overview of the research areas that were sponsored by this grant and list the resulting publications and theses based on this DOE supported research. The scientific personnel participating in (and trained by) this grant's research are also listed. Research carried out under this DOE grant was largely concerned with the mechanisms of the homogeneous catalytic and photocatalytic activation of small molecules such as carbon monoxide, dihydrogen and various hydrocarbons. Much of the more recent effort has focused on the dynamics and mechanisms of reactions relevant to substrate carbonylations by homogeneous organometallic catalysts. A wide range of modern investigative techniques were employed, including quantitative fast reaction methodologies such as time-resolved optical (TRO) and time-resolved infrared (TRIR) spectroscopy and stopped flow kinetics. Although somewhat diverse, this research falls within the scope of the long-term objective of applying quantitative techniques to elucidate the dynamics and understand the principles of mechanisms relevant to the selective and efficient catalytic conversions of fundamental feedstocks to higher value materials.

  17. Response of ethylene propylene diene monomer rubber (EPDM) to simulant Hanford tank waste

    SciTech Connect (OSTI)

    NIGREY,PAUL J.

    2000-02-01T23:59:59.000Z

    This report presents the findings of the Chemical Compatibility Program developed to evaluate plastic packaging components that may be incorporated in packaging mixed-waste forms for transportation. Consistent with the methodology outlined in this report, the author performed the second phase of this experimental program to determine the effects of simulant Hanford tank mixed wastes on packaging seal materials. That effort involved the comprehensive testing of five plastic liner materials in an aqueous mixed-waste simulant. The testing protocol involved exposing the materials to {approximately}143, 286, 571, and 3,670 krad of gamma radiation and was followed by 7-, 14-, 28-, 180-day exposures to the waste simulant at 18, 50, and 60 C. Ethylene propylene diene monomer (EPDM) rubber samples subjected to the same protocol were then evaluated by measuring seven material properties: specific gravity, dimensional changes, mass changes, hardness, compression set, vapor transport rates, and tensile properties. The author has determined that EPDM rubber has excellent resistance to radiation, this simulant, and a combination of these factors. These results suggest that EPDM is an excellent seal material to withstand aqueous mixed wastes having similar composition to the one used in this study.

  18. 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)

    2010-07-15T23:59:59.000Z

    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)

  19. Soot suppression by ferrocene in laminar ethylene/air nonpremixed flames

    SciTech Connect (OSTI)

    Zhang, J.; Megaridis, C.M. [Univ. of Illinois, Chicago, IL (United States). Dept. of Mechanical Engineering] [Univ. of Illinois, Chicago, IL (United States). Dept. of Mechanical Engineering

    1996-06-01T23:59:59.000Z

    An experimental investigation is presented on the origin of the soot suppressing role of ferrocene additive in laminar, coannular, ethylene/air nonpremixed flames. The conditions examined involve laminar flames operating above and below their smoke point. In-flame diagnostics are employed to discern the interaction between the soot matrix and additive combustion products. The data presented in a previous study, as produced by thermophoretic sampling, transmission electron microscopy and high-resolution microanalysis techniques, are supplemented by soot volume fraction, temperature, and soot primary size measurements to unravel the mechanisms through which ferrocene combustion products influence soot formation processes. Furthermore, Z-contrast scanning/transmission electron microscopy is used to examine the over-fire aerosol and, in turn, provide insight on the fine-scale dispersion of iron fragments within the carbonaceous soot matrix. It is shown that ferrocene seeding of the fuel stream accelerates the particular inception mechanisms, but does not influence soot loadings when soot growth is dominant. Ferrocene is also found to enhance soot oxidation rates near the flame terminus. It is concluded that the fine-scale incorporation of iron compounds within the soot matrix is a primary factor for the soot suppressing role of ferrocene in nonpremixed flames.

  20. Potential Problems with Ethylene-Vinyl Acetate for Photovoltaic Packaging (Poster)

    SciTech Connect (OSTI)

    Kempe, M. D.; Jorgensen, G. J.; Terwilliger, K, M.; McMahon, T. J.; Kennedy, C. E.; Borek, T. T.

    2006-05-01T23:59:59.000Z

    Photovoltaic (PV) devices are typically encapsulated using ethylene-vinyl acetate (EVA) to provide mechanical support electrical isolation, optical coupling, and protection against environmental exposure. Under exposure to atmospheric water and/or ultraviolet radiation, EVA will decompose to produce acetic acid, lowering the pH and increasing the surface corrosion rates of embedded devices. Even though acetic acid is produced at a very slow rate it may not take much to catalyze reactions that lead to rapid module deterioration. Another consideration is that the glass transition of EVA, as measured using dynamic mechanical analysis, begins at temperatures of about -15 C. Temperatures lower than this can be reached for extended periods of time in some climates. Due to increased moduli below the glass transition temperature, a module may be more vulnerable to damage if a mechanical load is applied by snow or wind at low temperatures. Modules using EVA should not be rated for use at such low temperatures without additional low-temperature mechanical testing beyond the scope of UL 1703.

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

    SciTech Connect (OSTI)

    Castaldi, M.J.; Marinov, N.M.; Melius, C.F. [and others

    1996-02-01T23:59:59.000Z

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

  2. Metallic Carbon Nanotubes and Ag Nanocrystals

    SciTech Connect (OSTI)

    Brus, Louis E

    2014-03-04T23:59:59.000Z

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

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

    SciTech Connect (OSTI)

    Belogorokhov, I. A., E-mail: jugqwerty@mail.ru [State Research and Project Institute of Rare-Metal Industry GIREDMET (Russian Federation); Tikhonov, E. V. [Moscow State University (Russian Federation); Dronov, M. A. [Russian Academy of Sciences, Prokhorov General Physics Institute (Russian Federation); Belogorokhova, L. I. [Moscow State University (Russian Federation); Ryabchikov, Yu. V. [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Tomilova, L. G.; Khokhlov, D. R. [Moscow State University (Russian Federation)

    2011-11-15T23:59:59.000Z

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

  4. Carbon Monoxide Safety Tips

    E-Print Network [OSTI]

    Shaw, Bryan W.; Garcia, Monica L.

    1999-07-26T23:59:59.000Z

    Protect yourself and your family from the deadly effects of carbon monoxide--a colorless, odorless poisonous gas. This publication describes the warning signs of carbon monoxide exposure and includes a home safety checklist....

  5. SCALE-UP OF CARBON /CARBON BIPOLAR PLATES

    E-Print Network [OSTI]

    Scale-up of Carbon/Carbon Bipolar Plates · Project Objectives ­ Build and demonstrate a pilot facility#12;SCALE-UP OF CARBON /CARBON BIPOLAR PLATES Quarterly Report to the Department of Energy, May 19 #12;DOE PROGRAM OBJECTIVES Scale-up of Carbon/Carbon Bipolar Plates · Phase I ­ Technology Development

  6. ESM 271 Carbon Footprints and Carbon Accounting Instructor: Sangwon Suh

    E-Print Network [OSTI]

    California at Santa Barbara, University of

    1 ESM 271 Carbon Footprints and Carbon Accounting Instructor: Sangwon Suh Bren hall 3422, suh: Homework (1 for each week @10%): 40% Personal carbon account (report): 30% Final exam: 30% Course schedule Week 1: Introduction to carbon footprint and carbon account - Background: carbon awareness, major

  7. Atomic Rydberg Reservoirs for Polar Molecules

    E-Print Network [OSTI]

    Zhao, Bo; Pupillo, Guido; Zoller, Peter

    2011-01-01T23:59:59.000Z

    We discuss laser dressed dipolar and Van der Waals interactions between atoms and polar molecules, so that a cold atomic gas with laser admixed Rydberg levels acts as a designed reservoir for both elastic and inelastic collisional processes. The elastic scattering channel is characterized by large elastic scattering cross sections and repulsive shields to protect from close encounter collisions. In addition, we discuss a dissipative (inelastic) collision where a spontaneously emitted photon carries away (kinetic) energy of the collision partners, thus providing a significant energy loss in a single collision. This leads to the scenario of rapid thermalization and cooling of a molecule in the mK down to the \\mu K regime by cold atoms.

  8. Atomic Rydberg Reservoirs for Polar Molecules

    E-Print Network [OSTI]

    Bo Zhao; Alexander Glätzle; Guido Pupillo; Peter Zoller

    2011-12-18T23:59:59.000Z

    We discuss laser dressed dipolar and Van der Waals interactions between atoms and polar molecules, so that a cold atomic gas with laser admixed Rydberg levels acts as a designed reservoir for both elastic and inelastic collisional processes. The elastic scattering channel is characterized by large elastic scattering cross sections and repulsive shields to protect from close encounter collisions. In addition, we discuss a dissipative (inelastic) collision where a spontaneously emitted photon carries away (kinetic) energy of the collision partners, thus providing a significant energy loss in a single collision. This leads to the scenario of rapid thermalization and cooling of a molecule in the mK down to the \\mu K regime by cold atoms.

  9. Automated imaging system for single molecules

    DOE Patents [OSTI]

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

    2012-09-18T23:59:59.000Z

    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.

  10. Quantum Error Correction with magnetic molecules

    E-Print Network [OSTI]

    José J. Baldoví; Salvador Cardona-Serra; Juan M. Clemente-Juan; Luis Escalera-Moreno; Alejandro Gaita-Ariño; Guillermo Mínguez Espallargas

    2014-08-22T23:59:59.000Z

    Quantum algorithms often assume independent spin qubits to produce trivial $|\\uparrow\\rangle=|0\\rangle$, $|\\downarrow\\rangle=|1\\rangle$ mappings. This can be unrealistic in many solid-state implementations with sizeable magnetic interactions. Here we show that the lower part of the spectrum of a molecule containing three exchange-coupled metal ions with $S=1/2$ and $I=1/2$ is equivalent to nine electron-nuclear qubits. We derive the relation between spin states and qubit states in reasonable parameter ranges for the rare earth $^{159}$Tb$^{3+}$ and for the transition metal Cu$^{2+}$, and study the possibility to implement Shor's Quantum Error Correction code on such a molecule. We also discuss recently developed molecular systems that could be adequate from an experimental point of view.

  11. Modeling Electrochemical Decomposition of Fluoroethylene Carbonate on Silicon Anode Surfaces in Lithium Ion Batteries

    E-Print Network [OSTI]

    Leung, Kevin; Foster, Michael E; Ma, Yuguang; del la Hoz, Julibeth M Martinez; Sai, Na; Balbuena, Perla B

    2014-01-01T23:59:59.000Z

    Fluoroethylene carbonate (FEC) shows promise as an electrolyte additive for improving passivating solid-electrolyte interphase (SEI) films on silicon anodes used in lithium ion batteries (LIB). We apply density functional theory (DFT), ab initio molecular dynamics (AIMD), and quantum chemistry techniques to examine excess-electron-induced FEC molecular decomposition mechanisms that lead to FEC-modified SEI. We consider one- and two-electron reactions using cluster models and explicit interfaces between liquid electrolyte and model Li(x)Si(y) surfaces, respectively. FEC is found to exhibit more varied reaction pathways than unsubstituted ethylene carbonate. The initial bond-breaking events and products of one- and two-electron reactions are qualitatively similar, with a fluoride ion detached in both cases. However, most one-electron products are charge-neutral, not anionic, and may not coalesce to form effective Li+-conducting SEI unless they are further reduced or take part in other reactions. The implication...

  12. Room temperature ferromagnetism in a phthalocyanine based carbon material

    SciTech Connect (OSTI)

    Honda, Z., E-mail: honda@fms.saitama-u.ac.jp; Sato, K.; Sakai, M.; Fukuda, T.; Kamata, N. [Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama 338-8570 (Japan); Hagiwara, M.; Kida, T. [KYOKUGEN (Center for Quantum Science and Technology under Extreme Conditions), Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531 (Japan)

    2014-02-07T23:59:59.000Z

    We report on a simple method to fabricate a magnetic carbon material that contains nitrogen-coordinated transition metals and has a large magnetic moment. Highly chlorinated iron phthalocyanine was used as building blocks and potassium as a coupling reagent to uniformly disperse nitrogen-coordinated iron atoms on the phthalocyanine based carbon material. The iron phthalocyanine based carbon material exhibits ferromagnetic properties at room temperature and the ferromagnetic phase transition occurs at T{sub c}?=?490?±?10?K. Transmission electron microscopy observation, X-ray diffraction analysis, and the temperature dependence of magnetization suggest that the phthalocyanine molecules form three-dimensional random networks in the iron phthalocyanine based carbon material.

  13. Pion-capture probabilities in organic molecules

    SciTech Connect (OSTI)

    Jackson, D.F.; Lewis, C.A.; O'Leary, K.

    1982-06-01T23:59:59.000Z

    Experimental results are presented for atomic-capture probabilities of negative pions in organic molecules. The data are analyzed in terms of atomic and molecular models. This analysis shows that the Fermi-Teller law (Z law) and its modifications do not give an adequate description of the data, but that a mesomolecular model together with hydrogen transfer contains the features essential to fit the data. Clear evidence is given for chemical effects in the pion-capture process.

  14. Big Sky Carbon Atlas

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

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

  15. Intro to Carbon Sequestration

    ScienceCinema (OSTI)

    None

    2010-01-08T23:59:59.000Z

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

  16. Intro to Carbon Sequestration

    SciTech Connect (OSTI)

    2008-03-06T23:59:59.000Z

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

  17. Carbon Footprint Towson University

    E-Print Network [OSTI]

    Fath, Brian D.

    Carbon Footprint Towson University GHG Inventory for Educational Institutes Getting Starting.TM The Carbon Footprint 8 The Constellation Experience A Broad Inventory 1. Scope I-Direct Emissions works.TM The Carbon Footprint 10 The Constellation Experience A Broad Inventory 3. Scope III

  18. Manufacture of finely divided carbon

    SciTech Connect (OSTI)

    Walker, D.G.

    1980-01-22T23:59:59.000Z

    Finely divided carbon is manufactured by a process producing a gaseous stream containing carbon monoxide by reacting coal and air in a slagging ash gasifier, separating carbon monoxide from the gaseous mixture, and disproportionating the carbon monoxide to produce finely divided carbon and carbon dioxide, the latter of which is recycled to the gasifier.

  19. SmallholderSmallholder CarbonCarbon AgroforestryAgroforestry && Carbon for Poverty ReductionCarbon for Poverty Reduction

    E-Print Network [OSTI]

    SmallholderSmallholder CarbonCarbon AgroforestryAgroforestry && Carbon for Poverty ReductionCarbon for Poverty Reduction Roundtable (CAPR)Roundtable (CAPR) GEO Forest Monitoring SymposiumGEO Forest Monitoring)Amazon Initiative Consortium (IA) #12;Carbon for Poverty Reduction Roundtable (CAPR)Carbon for Poverty Reduction

  20. Modeling and analysis of single-molecule experiments

    E-Print Network [OSTI]

    Witkoskie, James B

    2005-01-01T23:59:59.000Z

    Single molecule experiments offer a unique window into the molecular world. This window allows us to distinguish the behaviors of individual molecules from the behavior of bulk by observing rare events and heterogeneity ...

  1. Electrochemical deposition of small molecules for electronic materials 

    E-Print Network [OSTI]

    Allwright, Emily Marieke

    2014-11-27T23:59:59.000Z

    The method of the deposition of films of small molecules for use in electronic applications is just as important as the molecule design itself as the film’s morphology and continuity influence the performance of the ...

  2. Nanofluidic system for single molecule manipulation and analysis

    E-Print Network [OSTI]

    Sen, Yi-Heng

    2008-01-01T23:59:59.000Z

    This thesis focuses on characterizing and controlling the translocation of single 48.5 kbp [lambda]-DNA molecules through an artificial nanopore with the objective of enabling multiple measurements on the same molecule. ...

  3. Formation of Carbon Dwarfs

    E-Print Network [OSTI]

    Charles L. Steinhardt; Dimitar D. Sasselov

    2012-01-27T23:59:59.000Z

    We consider the formation of dwarf carbon stars via accretion from a carbon AGB companion in light of the new 107 object sample of Downes et al. (2004). This sample is now large enough to allow good mass determination via comparison of a composite spectrum to theoretical atmospheric models. Carbon dwarfs of spectral type M are indeed main sequence M dwarfs with enhanced metallicity and carbon abundance. We also calculate the predicted abundance of both M and of F/G carbon dwarfs, and show that the latter should be falsifiable in the near future.

  4. Study of fire retardant behavior of carbon nanotube membranes and carbon nanofiber paper in carbon fiber

    E-Print Network [OSTI]

    Das, Suman

    Study of fire retardant behavior of carbon nanotube membranes and carbon nanofiber paper in carbon Accepted 14 January 2010 Available online 20 January 2010 A B S T R A C T Single-walled carbon nanotube (SWCNT) and multi-walled carbon nanotube (MWCNT) membranes (buckypaper) and carbon nanofiber (CNF) paper

  5. ADSORPTION OF CHAIN MOLECULES WITH A POLAR HEAD

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    983 ADSORPTION OF CHAIN MOLECULES WITH A POLAR HEAD A SCALING DESCRIPTION S. ALEXANDER (*) Physique (Reçu le 24 mars 1977, accepte le 4 mai 1977) Résumé. 2014 L'adsorption de molécules en chaînes à une The adsorption of chain molecules at an interface is investigated assuming that the molecule has both a polar

  6. High-Order Harmonic Generation of Heteronuclear Diatomic Molecules

    E-Print Network [OSTI]

    Chu, Shih-I

    High-Order Harmonic Generation of Heteronuclear Diatomic Molecules in Intense Ultrashort Laser ionization (MPI) and high-order harmonic generation (HHG) processes of N2 and CO molecules in intense laser of the homonuclear N2 molecule can generate only odd harmonics, both even and odd harmonics can be produced from

  7. An electrochemical double layer capacitor using an activated carbon electrode with gel electrolyte binder

    SciTech Connect (OSTI)

    Osaka, Tetsuya, Liu, X.; Nojima, Masashi; Momma, Toshiyuki [Waseda Univ., Tokyo (Japan)] [Waseda Univ., Tokyo (Japan)

    1999-05-01T23:59:59.000Z

    An electric double layer capacitor (EDLC) was prepared with an activated carbon powder electrode with poly(vinylidene fluoride-hexafluoropropylene) (PVdF-HFP) based gel electrolyte. Ethylene carbonate (EC) and propylene carbonate (PC) were used as plasticizer and tetraethylammonium tetrafluoroborate (TEABF{sub 4}) was used as the supporting electrolyte. An optimized gel electrolyte of PVdF-HFP/PC/EC/TEABF{sub 4} - 23/31/35/11 mass ratio exhibited high ionic conductivity of 5 {times} 10{sup {minus}3} S/cm, high electrode capacitance, and good mechanical strength. An electrode consisting of activated carbon (AC) with the gel electrolyte as the binder (AC/PVdF-HFP based gel, 7/3 mass ratio) showed a higher specific capacitance and a lower ion diffusion resistance within the electrode than a carbon electrode, prepared with PVdF-HFP binder without plasticizer. This suggests that an electrode mixed with the gel electrolyte has a lower ion diffusion resistance inside the electrode. The highest specific capacitance of 123 F/g was achieved with an electrode containing AC with a specific surface area of 2500 m{sup 2}/g. A coin-type EDLC cell with optimized components showed excellent cycleability exceeding 10{sup 4} cycles with ca. 100% coulombic efficiency achieved when charging and discharging was repeated between 1.0 and 2.5 V at 1.66 mA/cm{sup 2}.

  8. Small angle neutron scattering characterization of the porous structure of carbons prepared using inorganic templates

    SciTech Connect (OSTI)

    Sandi, G.; Thiyagarajan, P.; Carrado, K.A.; Winans, R.E. [Argonne National Lab., IL (United States)] [Argonne National Lab., IL (United States)

    1999-02-01T23:59:59.000Z

    Small angle neutron scattering (SANS) was used for the characterization of the microstructure of carbons derived from organic-loaded inorganic template materials that are used as anodes in lithium ion cells. Pillared clays (PILC), layered silicates whose sheets have been permanently propped open by sets of thermally stable molecular props, were used as a template to load the organic precursors. Five organic precursors, namely pyrene, styrene, pyrene/trioxane copolymer, ethylene, and propylene, were used to load the PILC. Pyrolysis was carried out at 700 C under nitrogen atmosphere. From SANS, information has been derived about the pore radius, mass fractal dimension, and the cutoff length (above which the fractal property breaks down) on each carbon. In general, the pore radius ranges from 4 to 11 {angstrom}, and the mass fractal dimension varies in the range from 2.5 to 2.9. Contrast-match SANS studies of carbons wetted in 84% deuterated toluene indicate that a significant amount of pores in carbon from pyrene are not accessible to the solvent, while most of the porous network of carbon from propylene is accessible.

  9. Physisorption of molecular hydrogen on carbon nanotube with vacant defects

    SciTech Connect (OSTI)

    Sun, Gang; Shen, Huaze; Wang, Enge; Xu, Limei, E-mail: limei.xu@pku.edu.cn [International Center for Quantum Materials and School of Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing (China); Tangpanitanon, Jirawat [University of Cambridge, Cambridge, Cambridgeshire CB2 1TP (United Kingdom); Wen, Bo [International Center for Quantum Materials and School of Physics, Peking University, Beijing 100871 (China); Beijing Computational Science Research Center, Heqing Street, Haidian District, Beijing 100084 (China); Xue, Jianming [State Key Laboratory of Nuclear Physics and Technology, School of Physics, Peking University, Beijing 100871 (China); Center for Applied Physics and Technology, Peking University, Beijing 100871 (China)

    2014-05-28T23:59:59.000Z

    Physisorption of molecular hydrogen on single-walled carbon nanotubes (SWCNTs) is important for its engineering applications and hydrogen energy storage. Using molecular dynamics simulation, we study the physisorption of molecular hydrogen on a SWCNT with a vacant defect, focusing on the effect of the vacant defect size and external parameters such as temperature and pressure. We find that hydrogen can be physisorbed inside a SWCNT through a vacant defect when the defect size is above a threshold. By controlling the size of the defects, we are able to extract hydrogen molecules from a gas mixture and store them inside the SWCNT. We also find that external parameters, such as low temperature and high pressure, enhance the physisorption of hydrogen molecules inside the SWCNT. In addition, the storage efficiency can be improved by introducing more defects, i.e., reducing the number of carbon atoms on the SWCNT.

  10. Author's personal copy An alkaline direct ethylene glycol fuel cell with

    E-Print Network [OSTI]

    Zhao, Tianshou

    ), rather than carbon di- oxide (CO2) [5]. Hence, the actual and maximum electron transfer numbers per), and the product of ethanol oxidation reaction (EOR) in alkaline media is pre- dominated by acetic acid (CH3COOH), respectively. Under this circumstance, the electron transfer rate (ETR) of the ethanol oxidation reaction (EOR

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

    SciTech Connect (OSTI)

    Blasing, T J [ORNL; Schroeder, Dana [University of Georgia, Athens, GA

    2013-08-01T23:59:59.000Z

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

  12. Hunt for cold H2 molecules

    E-Print Network [OSTI]

    F. Combes

    2006-01-30T23:59:59.000Z

    The bulk of the molecular component in galaxies is made of cold H2, which is not observed directly, but which abundance is derived from indirect tracers such as CO emission. The CO to H2 conversion ratio remains uncertain, and may vary by large factors in special environments with different excitation or metallicity. Recent cold gas discoveries (through gamma-rays or cold dust emission) are reviewed and the most promising tracers in the future are discussed, such as the primordial molecules HD and LiH, or the pure rotational lines of excited H2*.

  13. Denaturing of Molecules | GE Global Research

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power Administration wouldDECOMPOSITIONPortalTo help ensure that sulfatesDo Molecules Get Old?

  14. Biomimetic Dye Molecules for Solar Cells

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced Materials Find Find MoreTechnicalBiomimetic Dye Molecules for Solar

  15. Biomimetic Dye Molecules for Solar Cells

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced Materials Find Find MoreTechnicalBiomimetic Dye Molecules for

  16. Biomimetic Dye Molecules for Solar Cells

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office511041clothAdvanced Materials Advanced Materials Find Find MoreTechnicalBiomimetic Dye Molecules

  17. Dressed-bound-state molecular strong-field approximation: Application to above-threshold ionization of heteronuclear diatomic molecules

    SciTech Connect (OSTI)

    Hasovic, E. [Faculty of Science, University of Sarajevo, Zmaja od Bosne 35, BA-71000 Sarajevo (Bosnia and Herzegowina); Max-Born-Institut, Max-Born-Strasse 2a, DE-12489 Berlin (Germany); Busuladzic, M. [Medical Faculty, University of Sarajevo, Cekalusa 90, BA-71000 Sarajevo (Bosnia and Herzegowina); Becker, W. [Max-Born-Institut, Max-Born-Strasse 2a, DE-12489 Berlin (Germany); Milosevic, D. B. [Faculty of Science, University of Sarajevo, Zmaja od Bosne 35, BA-71000 Sarajevo (Bosnia and Herzegowina); Max-Born-Institut, Max-Born-Strasse 2a, DE-12489 Berlin (Germany); Academy of Sciences and Arts of Bosnia and Herzegovina, Bistrik 7, BA-71000 Sarajevo (Bosnia and Herzegowina)

    2011-12-15T23:59:59.000Z

    The molecular strong-field approximation (MSFA), which includes dressing of the molecular bound state, is introduced and applied to above-threshold ionization of heteronuclear diatomic molecules. Expressions for the laser-induced molecular dipole and polarizability as functions of the laser parameters (intensity and frequency) and molecular parameters [molecular orientation, dipole, and parallel and perpendicular polarizabilities of the highest occupied molecular orbital (HOMO)] are presented. Our previous MSFA theory, which incorporates the rescattering effects, is generalized from homonuclear to heteronuclear diatomic molecules. Angle- and energy-resolved high-order above-threshold ionization spectra of oriented heteronuclear diatomic molecules, exemplified by the carbon monoxide (CO) molecule, exhibit pronounced minima, which can be related to the shape of their HOMO-electron-density distribution. For the CO molecule we have found an analytical condition for the positions of these minima. We have also shown that the effect of the dressing of the HOMO is twofold: (i) the laser-induced Stark shift decreases the ionization yield and (ii) the laser-induced time-dependent dipole and polarizability change the oscillatory structure of the spectra.

  18. Theoretical investigation on single-molecule chiroptical spectroscopy

    SciTech Connect (OSTI)

    Wakabayashi, M. [Tokyo Institute of Technology, School and Graduate School of Bioscience and Biotechnology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa (Japan); Yokojima, S. [Tokyo University of Pharmacy and Life Sciences, 1423-1 Horinouchi, Hachiouji-shi, Tokyo (Japan); Fukaminato, T. [Research Institute for Electronic Science, Hokkaido University, N20, W10, Kita-ku, Sapporo 001-0020 (Japan); Ogata, K.; Nakamura, S. [Research Cluster for Innovation, Nakamura Lab, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan)

    2013-12-10T23:59:59.000Z

    Some experimental results of chiroptical response of single molecule have already reported. In those experiments, dissymmetry parameter, g was used as an indicator of the relative circular dichroism intensity. The parameter for individual molecules was measured. For the purpose of giving an interpretation or explanation to the experimental result, the dissymmetry parameter is formulated on the basis of Fermi’s golden rule. Subsequently, the value of individual molecules is evaluated as a function of the direction of light propagation to the orientationary fixed molecules. The ground and excited wavefunction of electrons in the molecule and transition moments needed are culculated using the density functional theory.

  19. Dynamic scanning probe microscopy of adsorbed molecules on graphite

    E-Print Network [OSTI]

    N. Berdunov; A. J. Pollard; P. H. Beton

    2009-01-08T23:59:59.000Z

    We have used a combined dynamic scanning tunneling and atomic force microscope to study the organisation of weakly bound adsorbed molecules on a graphite substrate. Specifically we have acquired images of islands of the perylene derivative molecules. These weakly bound molecules may be imaged in dynamic STM, in which the probe is oscillated above the surface. We show that molecular resolution may be readily attained and that a similar mode of imaging may be realised using conventional STM arrangement. We also show, using tunnelling spectroscopy, the presence of an energy gap for the adsorbed molecules confirming a weak molecule-substrate interaction.

  20. Carbon dioxide sensor

    DOE Patents [OSTI]

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

    2011-11-15T23:59:59.000Z

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

  1. Multiphase Sequestration Geochemistry: Model for Mineral Carbonation...

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

    Multiphase Sequestration Geochemistry: Model for Mineral Carbonation. Multiphase Sequestration Geochemistry: Model for Mineral Carbonation. Abstract: Carbonation of formation...

  2. CMB and Molecules at High Redshift

    E-Print Network [OSTI]

    F. Combes

    1999-01-17T23:59:59.000Z

    It becomes possible now to detect cold molecules at high redshift in the millimeter domain. Since the first discovery in 1992 by Brown and van den Bout of CO lines at z=2.28 in a gravitationally lensed starburst galaxy, nearly ten objects are now known to possess large quantities of molecular gas beyond z=1 and up to z = 5, through millimeter and sub-millimeter emission lines. The continuum dust emission is the most easily detected: in the mm domain, the emission is stronger for the more redshifted objects. For the CO lines, the situation is less favorable, and the reported detections are helped by gravitational amplification. The increase of the CMB temperature T_{bg} with redshift helps the rotational line excitation (especially at high z), but not its detection. Absorption in front of quasars is a more sensitive probe of cold gas at high redshift, able to detect individual clouds of a few solar masses (instead of 10^{10} Mo for emission). From the diffuse components, one can measure the cosmic black body temperature as a function of redshift. The high column densities component allow to observe important molecules not observable from the ground, like O2, H2O and LiH for example.

  3. Modelling proton transfer in water molecule chains

    E-Print Network [OSTI]

    Artem Korzhimanov; Mattias Marklund; Tatiana Shutova; Goran Samuelsson

    2011-08-22T23:59:59.000Z

    The process of protons transport in molecular water chains is of fundamental interest for many biological systems. Although many features of such systems can be analyzed using large-scale computational modeling, other features are better understood in terms of simplified model problems. Here we have tested, analytically and numerically, a model describing the classical proton hopping process in molecular water chains. In order to capture the main features of the proton hopping process in such molecular chains, we use a simplified model for our analysis. In particular, our discrete model describes a 1D chain of water molecules situated in an external protein channel structure, and each water molecule is allowed to oscillate around its equilibrium point in this system, while the protons are allowed to move along the line of neighboring oxygen atoms. The occurrence and properties of nonlinear solitary transport structures, allowing for much faster proton transport, are discussed, and the possible implications of these findings for biological systems are emphasized.

  4. Carbon Sequestration via Mineral Carbonation: Overview and Assessment

    E-Print Network [OSTI]

    1 Carbon Sequestration via Mineral Carbonation: Overview and Assessment 14 March 2002 Howard Herzog overview and assessment of carbon sequestration by mineral carbonation (referred to as "mineral sequestration R&D. The first is that carbonates have a lower energy state than CO2. Therefore, at least

  5. Would Border Carbon Adjustments prevent carbon leakage and heavy industry

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    No 52-2013 Would Border Carbon Adjustments prevent carbon leakage and heavy industry halshs-00870689,version1-7Oct2013 #12;Would Border Carbon Adjustments prevent carbon leakage and heavy The efficiency of unilateral climate policies may be hampered by carbon leakage and competitiveness losses

  6. Carbon RRLs Carbon RRLs towards Ultra-compact HII Regions

    E-Print Network [OSTI]

    Balser, Dana S.

    Carbon RRLs Carbon RRLs towards Ultra-compact HII Regions Dana S. Balser D. Anish Roshi (Raman (Agnes Scott College) #12;Carbon RRLs Carbon Radio Recombination Lines (RRLs) NGC 2024 (Orion B) IC 1795 (W3) Palmer et al. (1967) #12;Carbon RRLs Photodissociation Regions (PDRs) Hollenbach & Tielens (1997

  7. Cumulative Carbon and Just Allocation of the Global Carbon Commons

    E-Print Network [OSTI]

    Pierrehumbert, Raymond

    Cumulative Carbon and Just Allocation of the Global Carbon Commons R.T. Pierrehumbert1 on climate can be characterized by a single statistic, called Cumulative Carbon. This is the aggregate amount of carbon emitted in the form of carbon dioxide by activities such as fossil fuel burning and deforestation

  8. Pyrolytic carbon electrodes Lithographically Defined Porous Carbon Electrodes**

    E-Print Network [OSTI]

    New Mexico, University of

    Pyrolytic carbon electrodes Lithographically Defined Porous Carbon Electrodes** D. Bruce Burckel Polsky* The special nature of the CÀC bond can lead to various polymorphic forms of carbon such as graphite, glassy-carbon, fullerenes (such as buckyballs), carbon nanotubes, and diamond. Electrodes made

  9. Mesoporous carbon materials

    DOE Patents [OSTI]

    Dai, Sheng; Wang, Xiqing

    2013-08-20T23:59:59.000Z

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

  10. Mesoporous carbon materials

    DOE Patents [OSTI]

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

    2012-02-14T23:59:59.000Z

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

  11. Activated Carbon Injection

    ScienceCinema (OSTI)

    None

    2014-07-22T23:59:59.000Z

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

  12. Carbon Fiber SMC

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

    confidential, or otherwise restricted information. ACC932 Materials and Processes Technology Development Carbon Fiber SMC 5-20-09 Charles Knakal USCAR C. S. Wang General Motors...

  13. Activated Carbon Injection

    SciTech Connect (OSTI)

    None

    2014-07-16T23:59:59.000Z

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

  14. Reinforced Carbon Nanotubes.

    DOE Patents [OSTI]

    Ren, Zhifen (Newton, MA); Wen, Jian Guo (Newton, MA); Lao, Jing Y. (Chestnut Hill, MA); Li, Wenzhi (Brookline, MA)

    2005-06-28T23:59:59.000Z

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

  15. Carbon Fiber Technology Facility

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

    conventional and alternative precursors to carbon fiber Advance high-volume composite design and manufacturing capabilities Transition technology to industry partners...

  16. EMBODIED CARBON TARIFFS Christoph Bhringer

    E-Print Network [OSTI]

    EMBODIED CARBON TARIFFS Christoph Böhringer Jared C. Carbone Thomas F. Rutherford Revised: August 2013 Abstract Embodied carbon tariffs tax the direct and indirect carbon emissions embodied in trade -- an idea popularized by countries seeking to extend the reach of domestic carbon regu- lations. We

  17. Carbon-Optimal and Carbon-Neutral Supply Chains

    E-Print Network [OSTI]

    Caro, F.; Corbett, C. J.; Tan, T.; Zuidwijk, R.

    2011-01-01T23:59:59.000Z

    Y. Li, M. Daskin. 2009. Carbon Footprint and the ManagementJ. van Houtum. 2011. E?ect of carbon emission regulations onStreamlined Enterprise Carbon Footprinting. Environmental

  18. Static and dynamical correlation in diradical molecules by Quantum Monte Carlo using the Jastrow Antisymmetrized Geminal Power ansatz

    E-Print Network [OSTI]

    Andrea Zen; Emanuele Coccia; Ye Luo; Sandro Sorella; Leonardo Guidoni

    2014-06-17T23:59:59.000Z

    Diradical molecules are essential species involved in many organic and inorganic chemical reactions. The computational study of their electronic structure is often challenging, because a reliable description of the correlation, and in particular of the static one, requires multi-reference techniques. The Jastrow correlated Antisymmetrized Geminal Power (JAGP) is a compact and efficient wave function ansatz, based on the valence-bond representation, which can be used within Quantum Monte Carlo (QMC) approaches. The AGP part can be rewritten in terms of molecular orbitals, obtaining a multi-determinant expansion with zero-seniority number. In the present work we demonstrate the capability of the JAGP ansatz to correctly describe the electronic structure of two diradical prototypes: the orthogonally twisted ethylene, C2H4, and the methylene, CH2, representing respectively a homosymmetric and heterosymmetric system. On the other hand, we show that the simple ansatz of a Jastrow correlated Single Determinant (JSD) wave function is unable to provide an accurate description of the electronic structure in these diradical molecules, both at variational level and, more remarkably, in the fixed-nodes projection schemes showing that a poor description of the static correlation yields an inaccurate nodal surface. The suitability of JAGP to correctly describe diradicals with a computational cost comparable with that of a JSD calculation, in combination with a favorable scalability of QMC algorithms with the system size, opens new perspectives in the ab initio study of large diradical systems, like the transition states in cycloaddition reactions and the thermal isomerization of biological chromophores.

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

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

    Fujita, Etsuko; Goldman, Alan S.

    2015-06-01T23:59:59.000Z

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

  20. UHV-TERS TERS in air Characterization of dye molecules and carbon

    E-Print Network [OSTI]

    Nabben, Reinhard

    -enhanced Raman spectroscopy N. Peica1,2, S. Röhrig3, A. Rüdiger3,4, K. Brose1, C. Thomsen1, J. Maultzsch1 1Solid

  1. Conformation of Oligo(Ethylene Glycol) grafted Poly(Norbornene) in solutions: A Small Angle Neutron Scattering Study

    SciTech Connect (OSTI)

    Cheng, Gang [ORNL; Melnichenko, Yuri B [ORNL; Hua, Fengjun [ORNL; Hong, Kunlun [ORNL; Wignall, George D [ORNL; Hammouda, B. [National Institute of Standards and Technology (NIST); Mays, Jimmy [ORNL

    2008-01-01T23:59:59.000Z

    The structure of thermo sensitive poly(methoxyoligo(ethylene glycol) norbornenyl esters) homopolymers in dilute solution was investigated by Small Angle Neutron Scattering (SANS). The homopolymers consist of a polynorbornene (PNB) backbone with a degree of polymerization (DP) of 50, and each backbone monomer has a grafted Ethylene Glycol (EG) side chain with an average DP of 6.6. The hydrophobic backbone and hydrophilic side chains interact differently with solvents depending on their polarity, which makes the conformation very sensitive to the solvent quality. The polymer conformation was studied in two solvents, d-toluene and D2O, with the aim of understanding the influence of solvent/polymer interactions on the resulting structures. It was found that in a 0.5 wt. % solution in d-toluene the polymers assume wormlike chains and gradually contract with increasing polymer concentration. In a 0.5 wt. % solution in D2O, the polymers are partially contracted at room temperature and their conformation can be described by the form factor of a rigid cylinder. The volume of the cylinder shows no concentration dependence. Furthermore, the polymers in D2O collapse at higher temperatures due to decreasing solubility of the side chains in water.

  2. Orbits in the H2O molecule

    E-Print Network [OSTI]

    K. Efstathiou; G. Contopoulos

    2001-02-07T23:59:59.000Z

    We study the forms of the orbits in a symmetric configuration of a realistic model of the H2O molecule with particular emphasis on the periodic orbits. We use an appropriate Poincar\\'e surface of section (PSS) and study the distribution of the orbits on this PSS for various energies. We find both ordered and chaotic orbits. The proportion of ordered orbits is almost 100% for small energies, but decreases abruptly beyond a critical energy. When the energy exceeds the escape energy there are still non-escaping orbits around stable periodic orbits. We study in detail the forms of the various periodic orbits, and their connections, by providing appropriate stability and bifurcation diagrams.

  3. Low energy ion-molecule reactions

    SciTech Connect (OSTI)

    Farrar, J.M. [Univ. of Rochester, NY (United States)

    1993-12-01T23:59:59.000Z

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

  4. Dipole-Dipole coupled double Rydberg molecules

    E-Print Network [OSTI]

    Martin Kiffner; Hyunwook Park; Wenhui Li; Tom F. Gallagher

    2012-05-21T23:59:59.000Z

    We show that the dipole-dipole interaction between two Rydberg atoms can give rise to long range molecules. The binding potential arises from two states that converge to different separated atom asymptotes. These states interact weakly at large distances, but start to repel each other strongly as the van der Waals interaction turns into a resonant dipole-dipole interaction with decreasing separation between the atoms. This mechanism leads to the formation of an attractive well for one of the potentials. If the two separated atom asymptotes come from the small Stark splitting of an atomic Rydberg level, which lifts the Zeeman degeneracy, the depth of the well and the location of its minimum are controlled by the external electric field. We discuss two different geometries that result in a localized and a donut shaped potential, respectively.

  5. Absolute absorption spectroscopy based on molecule interferometry

    E-Print Network [OSTI]

    Stefan Nimmrichter; Klaus Hornberger; Hendrik Ulbricht; Markus Arndt

    2008-11-07T23:59:59.000Z

    We propose a new method to measure the absolute photon absorption cross section of neutral molecules in a molecular beam. It is independent of our knowledge of the particle beam density, nor does it rely on photo-induced fragmentation or ionization. The method is based on resolving the recoil resulting from photon absorption by means of near-field matter-wave interference, and it thus applies even to very dilute beams with low optical densities. Our discussion includes the possibility of internal state conversion as well as fluorescence. We assess the influence of various experimental uncertainties and show that the measurement of absolute absorption cross sections is conceivable with high precision and using existing technologies.

  6. Carbon-Optimal and Carbon-Neutral Supply Chains

    E-Print Network [OSTI]

    Caro, F.; Corbett, C. J.; Tan, T.; Zuidwijk, R.

    2011-01-01T23:59:59.000Z

    Pearce, D. 2003. The Social Cost Of Carbon And Its PolicyR.S.J. 2008. The Social Cost of Carbon: Trends, Outliers and

  7. Carbon Park Environmental Impact Assessment

    E-Print Network [OSTI]

    of offsetting the University's carbon footprint, promoting biodiversity and establishing easily maintained Carbon Park Environmental Impact Assessment A B.E.S.T. Project By, Adam Bond 2011 #12; Bishop's University Carbon Park

  8. First Proof of Ferromagnetic Carbon

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

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

  9. Electronic properties of linear carbon chains: Resolving the controversy

    SciTech Connect (OSTI)

    Al-Backri, Amaal [Physics Department, Lancaster University, LA1 4YB Lancaster (United Kingdom) [Physics Department, Lancaster University, LA1 4YB Lancaster (United Kingdom); College of Science, Baghdad University, Al-Jaderyia Campus, Baghdad (Iraq); Zólyomi, Viktor; Lambert, Colin J. [Physics Department, Lancaster University, LA1 4YB Lancaster (United Kingdom)] [Physics Department, Lancaster University, LA1 4YB Lancaster (United Kingdom)

    2014-03-14T23:59:59.000Z

    Literature values for the energy gap of long one-dimensional carbon chains vary from as little as 0.2 eV to more than 4 eV. To resolve this discrepancy, we use the GW many-body approach to calculate the band gap E{sub g} of an infinite carbon chain. We also compute the energy dependence of the attenuation coefficient ? governing the decay with chain length of the electrical conductance of long chains and compare this with recent experimental measurements of the single-molecule conductance of end-capped carbon chains. For long chains, we find E{sub g} = 2.16 eV and an upper bound for ? of 0.21 Å{sup ?1}.

  10. Lead carbonate scintillator materials

    DOE Patents [OSTI]

    Derenzo, Stephen E. (Pinole, CA); Moses, William W. (Berkeley, CA)

    1991-01-01T23:59:59.000Z

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

  11. Fly ash carbon passivation

    DOE Patents [OSTI]

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

    2013-05-14T23:59:59.000Z

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

  12. Distance dependent rates of photoinduced charge separation and dark charge recombination in fixed distance porphyrin-quinone molecules

    SciTech Connect (OSTI)

    Wasielewski, M.R.; Niemczyk, M.P.

    1986-01-01T23:59:59.000Z

    Three zinc tetraphenylporphyrin-anthraquinone derivatives were prepared in which the edge-to-edge distances between the porphyrin and quinone ..pi.. systems are fixed by a rigid hydrocarbon spacer molecule. Triptycene, trans-1,2-diphenylcyclopentane, and adamantane were used to fix the porphyrin-anthraquinone distance at 2.5, 3.7, and 4.9 A, respectively. These molecules possess 1,2, and 3 saturated carbon atoms, respectively, between the porphyrin donor and the quinone acceptor. Rate constants for photoinduced electron transfer from the lowest excited singlet state of the zinc tetraphenylporphyrin donor to the anthraquinone acceptor were measured. In addition, the corresponding radical ion pair recombination rate constants for each of these molecules were also determined. The rate constants for both photoinduced charge separation and subsequent radical ion pair recombination decrease by approximately a factor of 10 for each saturated carbon atom intervening between the porphyrin donor and the quinone acceptor. These results are consistent with a model in which the rate of electron transfer is determined by weak mixing of the sigma orbitals of the saturated hydrocarbon spacer with the ..pi.. orbitals of the donor and acceptor. 22 refs., 5 figs.

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

    SciTech Connect (OSTI)

    Saha, Dipendu [ORNL] [ORNL; Warren, Kaitlyn E [ORNL] [ORNL; Naskar, Amit K [ORNL] [ORNL

    2014-01-01T23:59:59.000Z

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

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

    DOE Patents [OSTI]

    Letant, Sonia; Van Buuren, Anthony; Terminello, Louis

    2004-08-31T23:59:59.000Z

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

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

    DOE Patents [OSTI]

    Letant, Sonia E. (Livermore, CA); Van Buuren, Anthony (Livermore, CA); Terminello, Louis (Danville, CA); Hart, Bradley R. (Brentwood, CA)

    2006-12-26T23:59:59.000Z

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

  16. Directing and Sensing Changes in Molecular Conformation on Individual Carbon Nanotube Field Effect Transistors

    E-Print Network [OSTI]

    Hone, James

    and drain electrodes on a silicon oxide surface. The doped silicon wafer serves as a global back of the carbon nanotubes with functional molecules that can be toggled back-and-forth between different molecular of thermally grown SiO2 on their surface.10 Source and drain electrodes (5 nm of Cr followed by 50 nm of Au

  17. Metal-assisted hydrogen storage on Pt-decorated single-walled carbon nanohorns

    E-Print Network [OSTI]

    Geohegan, David B.

    to a future hydrogen economy is the lack of suitable on-board hydrogen storage media, which urgently requiresMetal-assisted hydrogen storage on Pt-decorated single-walled carbon nanohorns Yun Liu a,b,*, Craig dissociation of hydrogen molecules by metal nanoparticles and spillover of atomic hydrogen onto various

  18. Chemically modified carbon, nickel and platinum electrodes. Final report, 1/15/80-8/31/81

    SciTech Connect (OSTI)

    None

    1981-01-01T23:59:59.000Z

    Three primary areas of concentration existed during the award period: (1) Catalytic reduction of alkyl halides on iron porphyrin polymer modified electrodes, (2) polyvinyl viologen modified carbon electrodes, and (3) preparation and studies of electrode-bindable heterobismetallic complexes which are potential small molecule catalysts.

  19. CARBON SEQUESTRATION STRATEGIES FOR CALIFORNIA

    E-Print Network [OSTI]

    GEOLOGIC CARBON SEQUESTRATION STRATEGIES FOR CALIFORNIA: REPORT TO THE LEGISLATURE Regional Carbon Sequestration Partnership (WESTCARB) studies that we used, including Cameron Downey

  20. Sandia Energy - Direct Measurement of Key Molecule Will Increase...

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

    Direct Measurement of Key Molecule Will Increase Accuracy of Combustion Models Home Energy Transportation Energy CRF Facilities News News & Events Computational Modeling &...

  1. Microfluidic systems for continuous crystallization of small organic molecules

    E-Print Network [OSTI]

    Sultana, Mahmooda

    2010-01-01T23:59:59.000Z

    This thesis presents one of the first demonstrations of continuous crystallization in microfluidic devices, and illustrates their use for various applications related to crystallization of small organic molecules. ...

  2. The photodissociation and reaction dynamics of vibrationally excited molecules

    SciTech Connect (OSTI)

    Crim, F.F. [Univ. of Wisconsin, Madison (United States)

    1993-12-01T23:59:59.000Z

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

  3. Detection and Imaging of He_2 Molecules in Superfluid Helium

    E-Print Network [OSTI]

    W. G. Rellergert; S. B. Cahn; A. Garvan; J. C. Hanson; W. H. Lippincott; J. A. Nikkel; D. N. McKinsey

    2007-12-18T23:59:59.000Z

    We present data that show a cycling transition can be used to detect and image metastable He$_2$ triplet molecules in superfluid helium. We demonstrate that limitations on the cycling efficiency due to the vibrational structure of the molecule can be mitigated by the use of repumping lasers. Images of the molecules obtained using the method are also shown. This technique gives rise to a new kind of ionizing radiation detector. The use of He$_2$ triplet molecules as tracer particles in the superfluid promises to be a powerful tool for visualization of both quantum and classical turbulence in liquid helium.

  4. Application of an all-solid-state diode-laser-based sensor for carbon monoxide detection by optical absorption in the 4.4 ? 4.8 µm spectral region 

    E-Print Network [OSTI]

    Rodolfo, Barron Jimenez

    2005-02-17T23:59:59.000Z

    An all-solid-state continuous-wave (cw) laser system for mid-infrared absorption measurements of the carbon monoxide (CO) molecule has been developed and demonstrated. The single-mode, tunable output of an external-cavity ...

  5. Reinvestigation on the state-of-the-art nonaqueous carbonate electrolytes for 5 V Li-ion battery applications

    SciTech Connect (OSTI)

    Xu, Wu; Chen, Xilin; Ding, Fei; Xiao, Jie; Wang, Deyu; Pan, Anqiang; Zheng, Jianming; Li, Xiaohong S.; Padmaperuma, Asanga B.; Zhang, Jiguang

    2012-09-01T23:59:59.000Z

    The charging voltage limits of mixed carbonate solvents for Li-ion batteries have been systematically investigated from 4.9 to 5.3 V in half cells using Cr-doped spinel cathode material LiNi0.45Cr0.05Mn1.5O4. We found that the stability of conventional carbonate electrolytes is strongly related to the stability and properties of the cathode materials at both lithiated and de-lithiated states. It is the first time to report that the conventional electrolytes based on mixtures of ethylene carbonate (EC) and linear carbonate (dimethyl carbonate - DMC, ethyl methyl carbonate - EMC, and diethyl carbonate - DEC) have shown very similar long-term cycling performance when cycled up to 5.2 V on LiNi0.45Cr0.05Mn1.5O4. The discharge capacity increases with the charge cutoff voltage and reaches the highest discharge capacity at 5.2 V. The capacity retention is about 87% after 500 cycles at 1C rate for all three carbonate mixtures when cycled between 3.0 V and 5.2V. The first-cycle efficiency has a maximum value at 5.1 V, with an average from 83% to 85% at C/10 rate. When cycled to 5.3 V, EC-DMC still shows good cycling performance but EC-EMC and EC-DEC show faster capacity fading. EC-DMC and EC-EMC have much better rate capability than EC-DEC. In addition, the first-cycle irreversible capacity loss increases with the cutoff voltage and the 'inactive' conductive carbon has also been found to be partly associated with the low first-cycle Coulombic efficiency at high voltages due to electrolyte decomposition and probably the PF6- anion irreversible intercalation.

  6. Mechanical and Transport Properties of the Poly(ethylene oxide)-Poly(acrylic acid) Double Network Hydrogel from Molecular Dynamic Simulations

    E-Print Network [OSTI]

    Goddard III, William A.

    . 1. Introduction A hydrogel is a three-dimensionally cross-linked hydrophilic polymer network. In this situation, the formation of interpenetrating but independently cross-linked double network (DN) hydrogelsMechanical and Transport Properties of the Poly(ethylene oxide)-Poly(acrylic acid) Double Network

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

    SciTech Connect (OSTI)

    Salciccioli, Michael; Yu, Weiting; Barteau, Mark A; Chen, Jingguang; Vlachos, Dion G.

    2011-05-25T23:59:59.000Z

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

  8. advanced carbon-carbon composites: Topics by E-print Network

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

    14 15 16 17 18 19 20 21 22 23 24 25 Next Page Last Page Topic Index 1 CARBON-CARBON COMPOSITE ALLCOMP Carbon-Carbon Composite Biology and Medicine Websites Summary: CARBON-CARBON...

  9. Trading Water for Carbon with Biological Carbon Sequestration

    E-Print Network [OSTI]

    Nacional de San Luis, Universidad

    Trading Water for Carbon with Biological Carbon Sequestration Robert B. Jackson,1 * Esteban G. Farley,1 David C. le Maitre,5 Bruce A. McCarl,6 Brian C. Murray7 Carbon sequestration strategies plantations feature prominently among tools for carbon sequestration (1­8). Plantations typi- cally combine

  10. Cumulative Carbon and Just Allocation of the Global Carbon Commons

    E-Print Network [OSTI]

    Pierrehumbert, Raymond

    Cumulative Carbon and Just Allocation of the Global Carbon Commons R.T. Pierrehumbert* Abstract statistic, called cumulative carbon. This statistic is the aggregate amount ofcarbon emitted in theform such activitiespersist.In thispaper the conceptis usedto addressthe question offair allocation of carbon emissions

  11. International Conference on Carbon Nanotechnology: Potential and Challenges (Carbon 10)

    E-Print Network [OSTI]

    Srivastava, Kumar Vaibhav

    International Conference on Carbon Nanotechnology: Potential and Challenges (Carbon 10) 15 - 17th Since the discovery of the carbon nanotube (CNT) about two decades ago, research related to its of Materials and Process Engineering Kanpur Chapter hosted the `International Conference on Carbon

  12. Glucose sensing molecules having selected fluorescent properties

    DOE Patents [OSTI]

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

    2004-01-27T23:59:59.000Z

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

  13. Water: one molecule, two surfaces, one mistake

    E-Print Network [OSTI]

    Vega, Carlos

    2015-01-01T23:59:59.000Z

    In order to rigorously evaluate the energy and dipole moment of a certain configuration of molecules one needs to solve the Schr\\"odinger equation. Repeating this for many different configurations allows one to determine the potential energy surface (PES) and the dipole moment surface (DMS). Since the early days of computer simulation it has been implicitly accepted that for empirical potentials the charges used to fit the PES should also be used to describe the DMS. This is a mistake. Partial charges are not observable magnitudes. They should be regarded as adjustable fitting parameters. Optimal values used to describe the PES are not necessarily the best to describe the DMS. One could use two fits: one for the PES, and another for the DMS. This is a common practice in the quantum chemistry community, but not used so often by the community performing computer simulations. This idea affects all types of modelling of water (with the exception of ab-initio calculations) from coarse grained to non-polarizable an...

  14. IMPACCT: Carbon Capture Technology

    SciTech Connect (OSTI)

    None

    2012-01-01T23:59:59.000Z

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

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

    SciTech Connect (OSTI)

    Danilchenko, B. A., E-mail: danil@iop.kiev.ua; Yaskovets, I. I.; Uvarova, I. Y. [Institute of Physics NASU, Pr. Nauki 46, 03680 Kiev (Ukraine); Dolbin, A. V.; Esel'son, V. B.; Basnukaeva, R. M.; Vinnikov, N. A. [B. Verkin Institute for Low Temperature Physics and Engineering NASU, 47 Lenin Ave., Kharkov 61103 (Ukraine)

    2014-04-28T23:59:59.000Z

    The kinetics of desorption both helium isotopes and molecules of hydrogen and deuterium from open-ended or ?-irradiated single-walled carbon nanotube bundles was investigated in temperature range of 10–300?K. The gases desorption rates obey the Arrhenius law at high temperatures, deviate from it with temperature reduction and become constant at low temperatures. These results indicate the quantum nature of gas outflow from carbon nanotube bundles. We had deduced the crossover temperature below which the quantum corrections to the effective activation energy of desorption become significant. This temperature follows linear dependence against the inverse mass of gas molecule and is consistent with theoretical prediction.

  16. Optically Excited Entangled States in Organic Molecules Illuminate M. Harpham,,

    E-Print Network [OSTI]

    Mukamel, Shaul

    Optically Excited Entangled States in Organic Molecules Illuminate the Dark L. Upton,, M. Harpham ABSTRACT: We utilize quantum entangled photons to carry out nonlinear optical spectroscopy in organic as a result of entangled photon absorption in organic nonlinear optical molecules. Selectivity

  17. Supplementary Material Free energy recovery in single molecule experiments

    E-Print Network [OSTI]

    Ritort, Felix

    Supplementary Material Free energy recovery in single molecule experiments Single molecule force measurements (experimental setup shown in Fig. S1) can be used to determine free-energy differences between the unfolding process and using the thermodynamic relation revWG = , we can estimate the RNA folding free energy

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

    SciTech Connect (OSTI)

    Rizzo, T.R. [Univ. of Rochester, NY (United States)

    1993-12-01T23:59:59.000Z

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

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

    SciTech Connect (OSTI)

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

    2014-06-10T23:59:59.000Z

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

  20. Development of Carbon Based optically Transparent Electrodes from Pyrolyzed Photoresist for the Investigation of Phenomena at Electrified Carbon-Solution Interfaces

    SciTech Connect (OSTI)

    Sebastian Donner

    2007-12-01T23:59:59.000Z

    The work presented herein describes a fundamental investigations of carbon as electrode material by using the pyrolysis of photoresist to create an optically transparent material. The development of these carbon-based optically transparent electrodes (C-OTEs) enables investigations of molecular interactions within the electrical double layer, processes that are central to a wide range of important phenomena, including the impact of changes in the surface charge density on adsorption. The electrochemical importance of carbon cannot be understated, having relevance to separations and detection by providing a wide potential window and low background current in addition to being low cost and light weight. The interactions that govern the processes at the carbon electrode surface has been studied extensively. A variety of publications from the laboratories of McCreery and Kinoshita provide in depth summaries about carbon and its many applications in electrochemistry. These studies reveal that defects, impurities, oxidation, and a variety of functional groups create adsorption sites on carbon surfaces with different characteristics. The interest in C-OTEs was sparked by the desire to study and understand the behavior of individual molecules at electrified interfaces. It draws on the earlier development of Electrochemically Modulated Liquid Chromatography (EMLC), which uses carbon as the stationary phase. EMLC takes advantage of changing the applied potential to the carbon electrode to influence the retention behavior of analytes. However, perspectives gained from, for example, chromatographic measurements reflect the integrated response of a large ensemble of potentially diverse interactions between the adsorbates and the carbon electrode. Considering the chemically and physically heterogeneous surface of electrode materials such as glassy carbon, the integrated response provides little insight into the interactions at a single molecule level. To investigate individual processes, they have developed C-OTEs in order to couple electrochemistry with single molecule spectroscopy (SMS). Like EMLC, the novel merger of SMS with electrochemistry is a prime example of how a hybrid method can open new and intriguing avenues that are of both fundamental and technological importance. They show that by taking the benefits of total internal reflection fluorescence microscopy (TIRFM) and incorporating carbon as electrode material observations central to the interactions between single DNA molecules and an electrified carbon surface can be delineated. Using TIRFM while applying a positive potential to the electrode, individual molecules can be observed as they reversibly and irreversibly adsorb to the carbon surface. The positive potential attracts the negatively charged DNA molecules to the electrode surface. Dye labels on the DNA within the evanescent wave are excited and their fluorescence is captured by an intensified charge coupled device (ICCD) camera. Results are therefore presented regarding the interactions of {lambda}-DNA, 48,502 base pairs (48.5 kbp), HPV-16, 7.9 kbp, and 1 kbp fraction of pBR322 DNA. In addition to the influence of molecular size on adsorption, the fabrication, characterization, and more conventional spectroelectrochemical applications of these novel C-OTEs are presented.

  1. Black Carbon’s Properties and Role in the Environment: A Comprehensive Review

    E-Print Network [OSTI]

    Shrestha, Gyami

    2010-01-01T23:59:59.000Z

    carbon has a high carbon sequestration potential due to itsin soil can lead to sustainable carbon sequestration.process takes carbon sequestration from afforestation a step

  2. Dosimetry considerations in the enhanced sensitivity of male Wistar rats to chronic ethylene glycol-induced nephrotoxicity

    SciTech Connect (OSTI)

    Corley, R.A. [Battelle Pacific Northwest Division, Richland, WA 99352 (United States)], E-mail: rick.corley@pnl.gov; Wilson, D.M. [Dow Chemical Company, Midland, MI 48674 (United States); Hard, G.C. [Tairua, 2853 (New Zealand); Stebbins, K.E.; Bartels, M.J. [Dow Chemical Company, Midland, MI 48674 (United States); Soelberg, J.J. [Battelle Pacific Northwest Division, Richland, WA 99352 (United States); Dryzga, M.D. [Dow Chemical Company, Midland, MI 48674 (United States); Gingell, R. [Shell Oil Company, Houston, TX 77002 (United States); McMartin, K.E. [Louisiana State University Health Sciences Center, Shreveport, LA 71130 (United States); Snellings, W.M. [Dow Chemical Company, Midland, MI 48674 (United States)

    2008-04-15T23:59:59.000Z

    Male Wistar rats have been shown to be the most sensitive sex, strain and species to ethylene glycol-induced nephrotoxicity in subchronic studies. A chronic toxicity and dosimetry study was therefore conducted in male Wistar rats administered ethylene glycol via the diet at 0, 50, 150, 300, or 400 mg/kg/day for up to twelve months. Subgroups of animals were included for metabolite analysis and renal clearance studies to provide a quantitative basis for extrapolating dose-response relationships from this sensitive animal model in human health risk assessments. Mortality occurred in 5 of 20 rats at 300 mg/kg/day (days 111-221) and 4 of 20 rats at 400 mg/kg/day (days 43-193), with remaining rats at this dose euthanized early (day 203) due to excessive weight loss. Increased water consumption and urine volume with decreased specific gravity occurred at 300 mg/kg/day presumably due to osmotic diuresis. Calculi (calcium oxalate crystals) occurred in the bladder or renal pelvis at {>=} 300 mg/kg/day. Rats dying early at {>=} 300 mg/kg/day had transitional cell hyperplasia with inflammation and hemorrhage of the bladder wall. Crystal nephropathy (basophilic foci, tubule or pelvic dilatation, birefringent crystals in the pelvic fornix, or transitional cell hyperplasia) affected most rats at 300 mg/kg/day, all at 400 mg/kg/day, but none at {<=} 150 mg/kg/day. No significant differences in kidney oxalate levels, the metabolite responsible for renal toxicity, were observed among control, 50 and 150 mg/kg/day groups. At 300 and 400 mg/kg/day, oxalate levels increased proportionally with the nephrotoxicity score supporting the oxalate crystal-induced nephrotoxicity mode of action. No treatment-related effects on the renal clearance of intravenously infused {sup 3}H-inulin, a marker for glomerular filtration, and {sup 14}C-oxalic acid were observed in rats surviving 12 months of exposure to ethylene glycol up to 300 mg/kg/day. In studies with naive male Wistar and F344 rats (a less sensitive strain), a significant difference was observed in oxalate clearances between young rats (i.e. Wistar clearance < F344) but not in age-matched old rats. Regardless, the ratios of oxalate:inulin clearances in these two strains of rats, including those exposed to ethylene glycol, were all < 1, suggesting that a fraction of the filtered oxalate is reabsorbed. Other species, including humans, typically have clearance ratios > 1 and are more effective at clearing oxalic acid by both glomerular filtration and active secretion. Thus, the lower renal clearance and kidney accumulation of oxalates in male Wistar rats enhances their sensitivity, which will be a factor in human risk assessments. The benchmark dose values (BMD05, BMDL05) were 170 mg/kg/day and 150 mg/kg/day for nephropathy, and 170 mg/kg/day and 160 mg/kg/day for birefringent crystals, using incidence times severity data in each case. The NOAEL of 150 mg/kg/day is the same as that reported after 16-week exposure and appears to be a threshold dose below which no renal toxicity occurs, regardless of exposure duration.

  3. Method for synthesizing carbon nanotubes

    DOE Patents [OSTI]

    Fan, Hongyou

    2012-09-04T23:59:59.000Z

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

  4. GETTING CARBON CAPTURE AND STORAGE

    E-Print Network [OSTI]

    Haszeldine, Stuart

    GETTING CARBON CAPTURE AND STORAGE TECHNOLOGIES TO MARKET BREAKING THE DEADLOCK Report of a Science: Carbon Capture and Storage © OECD/IEA 2009, fig. 1, p. 6 Figures 2 and 3 reprinted with permission from `UK Carbon storage and capture, where is it?' by Stuart Haszeldine, Professor of Carbon Capture

  5. Research Report Forests and carbon

    E-Print Network [OSTI]

    , baseline, carbon, climate change mitigation, forestry, quality assurance, sequestration. FCRP013/FCResearch Report Forests and carbon: a review of additionality #12;#12;Forests and carbon: a review. ISBN 978-0-85538-816-4 Valatin, G. (2011). Forests and carbon: a review of additionality. Forestry

  6. 4, 1367, 2007 Modelling carbon

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    BGD 4, 13­67, 2007 Modelling carbon overconsumption and extracellular POC formation M. Schartau et carbon overconsumption and the formation of extracellular particulate organic carbon M. Schartau1 , A Correspondence to: M. Schartau (markus.schartau@gkss.de) 13 #12;BGD 4, 13­67, 2007 Modelling carbon

  7. ATK - Supersonic Carbon Capture

    ScienceCinema (OSTI)

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

    2014-04-11T23:59:59.000Z

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

  8. Carbon Capture Pilots (Kentucky)

    Broader source: Energy.gov [DOE]

    Support for the Carbon Management Research Group (CMRG), a public/private partnership consisting of most of the Commonwealth’s utilities, the Electric Power Research Institute, the Center for...

  9. Extrasolar Carbon Planets

    E-Print Network [OSTI]

    Marc J. Kuchner; S. Seager

    2005-05-02T23:59:59.000Z

    We suggest that some extrasolar planets planets and low-mass white dwarf planets are especially good candidate members of this new class of planets, but these objects could also conceivably form around stars like the Sun. This planet-formation pathway requires only a factor of two local enhancement of the protoplanetary disk's C/O ratio above solar, a condition that pileups of carbonaceous grains may create in ordinary protoplanetary disks. Hot, Neptune-mass carbon planets should show a significant paucity of water vapor in their spectra compared to hot planets with solar abundances. Cooler, less massive carbon planets may show hydrocarbon-rich spectra and tar-covered surfaces. The high sublimation temperatures of diamond, SiC, and other carbon compounds could protect these planets from carbon depletion at high temperatures.

  10. Regional Carbon Sequestration Partnerships

    Broader source: Energy.gov [DOE]

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

  11. Low Carbon Fuel Standards

    E-Print Network [OSTI]

    Sperling, Dan; Yeh, Sonia

    2009-01-01T23:59:59.000Z

    S O N I A YE H Low Carbon Fuel Standards The most direct andalternative transportation fuels is to spur innovation withstandard for upstream fuel producers. hen it comes to energy

  12. Activated carbon aerogels

    SciTech Connect (OSTI)

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

    1996-12-25T23:59:59.000Z

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

  13. ATK - Supersonic Carbon Capture

    SciTech Connect (OSTI)

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

    2014-03-05T23:59:59.000Z

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

  14. Improved mechanical and electrical properties in electrospun polyimide/multiwalled carbon nanotubes nanofibrous composites

    SciTech Connect (OSTI)

    Zha, Jun-Wei; Sun, Fang; Wang, Si-Jiao; Wang, Dongrui; Lin, Xiang; Dang, Zhi-Min, E-mail: dangzm@ustb.edu.cn [Laboratory of Dielectric Polymer Materials and Devices, Department of Polymer Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Chen, George [School of Electronics and Computer Science, University of Southampton, Southampton SO17 1BJ (United Kingdom)

    2014-10-07T23:59:59.000Z

    Highly aligned polyimide (PI) and PI/multi-walled carbon nanotubes (PI/MWCNTs) nanofibrous composites by incorporating poly(ethylene oxide) as the dispersing medium were fabricated using electrospinning technique. The morphology, mechanical, and electrical properties of the electrospun nanofibrous composites were investigated. Scanning electron microscope showed that the functionalized MWCNTs (f-MWCNTs) were well dispersed and oriented along the nanofiber axis. Analysis of electrical properties indicated a remarkable improvement on the alternating current conductivity by introduction of the aligned f-MWCNTs. Besides, with addition of 3?vol.?% f-MWCNTs, the obvious enhancement of tensile modulus and strength was achieved. Thus, the electrospun PI/MWCNTs nanofibrous composites have great potential applications in multifunctional engineering materials.

  15. Dust and Molecules at High Redshift

    E-Print Network [OSTI]

    F. Combes

    1998-12-23T23:59:59.000Z

    In the last years, progress has been very rapid in the domain of molecules at high redshift, and we know in better detail now the molecular and dust content in several systems beyond z=1 and up to z = 5. The first discovery in 1992 by Brown and van den Bout of CO lines at z=2.28 in a gravitationally lensed starburst galaxy, strongly stimulated searches of other systems, but these were harder than foreseen, and less than 10 other systems have been discovered in CO emission. Redshifts range between 2 and 5, the largest being BR1202-0725 at z=4.69. Most of these systems, if not all, are gravitationally amplified objects. Some have been discovered first through their dust emission, relatively easy to detect because of the negative K-correction effect. The detection of all these systems could give an answer about the debated question of the star-formation rate as a function of redshift. The maximum of star-formation rate, found around z=2 from optical studies, could shift to higher z if the most remote objects are hidden by dust. Absorption in front of quasars can also probe cold gas at high redshift, taking advantage of very high spatial (milli arcsec) and spectral (30m/s) resolutions. From the diffuse components, one can measure the cosmic black body temperature as a function of redshift. All these preliminary studies will be carried out at large scales with future millimeter instruments, and some perspectives are given.

  16. Transitions of tethered chain molecules under tension

    E-Print Network [OSTI]

    Jutta Luettmer-Strathmann; Kurt Binder

    2014-09-09T23:59:59.000Z

    An applied tension force changes the equilibrium conformations of a polymer chain tethered to a planar substrate and thus affects the adsorption transition as well as the coil-globule and crystallization transitions. Conversely, solvent quality and surface attraction are reflected in equilibrium force-extension curves that can be measured in experiments. To investigate these effects theoretically, we study tethered chains under tension with Wang-Landau simulations of a bond-fluctuation lattice model. Applying our model to pulling experiments on biological molecules we obtain a good description of experimental data in the intermediate force range, where universal features dominate and finite size effects are small. For tethered chains in poor solvent, we observe the predicted two-phase coexistence at transitions from the globule to stretched conformations and also discover direct transitions from crystalline to stretched conformations. A phase portrait for finite chains constructed by evaluating the density of states for a broad range of solvent conditions and tensions shows how increasing tension leads to a disappearance of the globular phase. For chains in good solvents tethered to hard and attractive surfaces we find the predicted scaling with the chain length in the low-force regime and show that our results are well described by an analytical, independent-bond approximation for the bond-fluctuation model for the highest tensions. Finally, for a hard or slightly attractive surface the stretching of a tethered chain is a conformational change that does not correspond to a phase transition. However, when the surface attraction is sufficient to adsorb a chain it will undergo a desorption transition at a critical value of the applied force. Our results for force-induced desorption show the transition to be discontinuous with partially desorbed conformations in the coexistence region.

  17. Lead carbonate scintillator materials

    DOE Patents [OSTI]

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

    1991-05-14T23:59:59.000Z

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

  18. Carbon dioxide removal process

    DOE Patents [OSTI]

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

    2003-11-18T23:59:59.000Z

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

  19. Coherent anti-Stokes Raman spectroscopy in the presence of strong resonant signal from background molecules

    E-Print Network [OSTI]

    Martin Bitter; Valery Milner

    2012-10-18T23:59:59.000Z

    Optical spectroscopy with broadband femtosecond laser pulses often involves simultaneous excitation of multiple molecular species with close resonance frequencies. Interpreting the collective optical response from molecular mixtures typically requires Fourier analysis of the detected time-resolved signal. We propose an alternative method of separating coherent optical responses from two molecular species with neighboring excitation resonances (here, vibrational modes of oxygen and carbon dioxide). We utilize ro-vibrational coupling as a mechanism of suppressing the strong vibrational response from the dominating molecular species (O$_{2}$). Coherent ro-vibrational dynamics lead to long "silence windows" of zero signal from oxygen molecules. In these silence windows, the detected signal stems solely from the minority species (CO$_{2}$) enabling background-free detection and characterization of the O$_2$/CO$_2$ mixing ratio. In comparison to a Fourier analysis, our technique does not require femtosecond time resolution or time-delay scanning.

  20. Carbon based prosthetic devices

    SciTech Connect (OSTI)

    Devlin, D.J.; Carroll, D.W.; Barbero, R.S.; Archuleta, T. [Los Alamos National Lab., NM (US); Klawitter, J.J.; Ogilvie, W.; Strzepa, P. [Ascension Orthopedics (US); Cook, S.D. [Tulane Univ., New Orleans, LA (US). School of Medicine

    1998-12-31T23:59:59.000Z

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project objective was to evaluate the use of carbon/carbon-fiber-reinforced composites for use in endoprosthetic devices. The application of these materials for the metacarpophalangeal (MP) joints of the hand was investigated. Issues concerning mechanical properties, bone fixation, biocompatibility, and wear are discussed. A system consisting of fiber reinforced materials with a pyrolytic carbon matrix and diamond-like, carbon-coated wear surfaces was developed. Processes were developed for the chemical vapor infiltration (CVI) of pyrolytic carbon into porous fiber preforms with the ability to tailor the outer porosity of the device to provide a surface for bone in-growth. A method for coating diamond-like carbon (DLC) on the articulating surface by plasma-assisted chemical vapor deposition (CVD) was developed. Preliminary results on mechanical properties of the composite system are discussed and initial biocompatibility studies were performed.

  1. Carbon Characterization Laboratory Report

    SciTech Connect (OSTI)

    David Swank; William Windes; D.C. Haggard; David Rohrbaugh; Karen Moore

    2009-03-01T23:59:59.000Z

    The newly completed Idaho National Laboratory (INL) Carbon Characterization Laboratory (CCL) is located in Lab-C20 of the Idaho National Laboratory Research Center. This laboratory was established under the Next Generation Nuclear Plant (NGNP) Project to support graphite research and development activities. The CCL is designed to characterize and test carbon-based materials such as graphite, carbon-carbon composites, and silicon-carbide composite materials. The laboratory is fully prepared to measure material properties for nonirradiated carbon-based materials. Plans to establish the laboratory as a radiological facility within the next year are definitive. This laboratory will be modified to accommodate irradiated materials, after which it can be used to perform material property measurements on both irradiated and nonirradiated carbon-based material. Instruments, fixtures, and methods are in place for preirradiation measurements of bulk density, thermal diffusivity, coefficient of thermal expansion, elastic modulus, Young’s modulus, Shear modulus, Poisson ratio, and electrical resistivity. The measurement protocol consists of functional validation, calibration, and automated data acquisition.

  2. Measurement of carbon capture efficiency and stored carbon leakage

    DOE Patents [OSTI]

    Keeling, Ralph F.; Dubey, Manvendra K.

    2013-01-29T23:59:59.000Z

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

  3. Energy, Charge, and Spin Transport in Molecules and Self-Assembled Nanostructures Inspired by Photosynthesis

    SciTech Connect (OSTI)

    Wasielewski, Michael R. (NWU)

    2008-10-03T23:59:59.000Z

    Electron transfer in biological molecules provides both insight and inspiration for developing chemical systems having similar functionality. Photosynthesis is an example of an integrated system in which light harvesting, photoinduced charge separation, and catalysis combine to carry out two thermodynamically demanding processes, the oxidation of water and the reduction of carbon dioxide. The development of artificial photosynthetic systems for solar energy conversion requires a fundamental understanding of electron-transfer reactions between organic molecules. Since these reactions most often involve single-electron transfers, the spin dynamics of photogenerated radical ion pairs provide important information on how the rates and efficiencies of these reactions depend on molecular structure. Given this knowledge, the design and synthesis of large integrated structures to carry out artificial photosynthesis is moving forward. An important approach to achieving this goal is the development of small, functional building blocks, having a minimum number of covalent bonds, which also have the appropriate molecular recognition sites to facilitate self-assembly into a complete, functional artificial photosynthetic system.

  4. Multichannel quantum defect theory for ro-vibrational transitions in ultracold molecule-molecule collisions

    E-Print Network [OSTI]

    Hazra, Jisha; Balakrishnan, N; Bohn, John L

    2014-01-01T23:59:59.000Z

    Multichannel quantum defect theory (MQDT) has been widely applied to resonant and non-resonant scattering in a variety of atomic collision processes. In recent years, the method has been applied to cold collisions with considerable success, and it has proven to be a computationally viable alternative to full-close coupling (CC) calculations when spin, hyperfine and external field effects are included. In this paper, we describe a hybrid approach for molecule-molecule scattering that includes the simplicity of MQDT while treating the short-range interaction explicitly using CC calculations. This hybrid approach, demonstrated for H$_2$-H$_2$ collisions in full-dimensionality, is shown to adequately reproduce cross sections for quasi-resonant rotational and vibrational transitions in the ultracold (1$\\mu$K) and $\\sim$ 1-10 K regime spanning seven orders of magnitude. It is further shown that an energy-independent short-range $K$-matrix evaluated in the ultracold regime (1$\\mu$K) can adequately characterize cross...

  5. WESTCARB Carbon Atlas

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

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

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

    DOE Patents [OSTI]

    Cooper, John F. (Oakland, CA); Cherepy, Nerine (Oakland, CA)

    2008-10-21T23:59:59.000Z

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

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

    DOE Patents [OSTI]

    Cooper, John F. (Oakland, CA); Cherepy, Nerine (Oakland, CA)

    2012-01-24T23:59:59.000Z

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

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

    DOE Patents [OSTI]

    Cooper, John F.; Cherepy, Nerine

    2012-10-09T23:59:59.000Z

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

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

    DOE Patents [OSTI]

    Cooper, John F. (Oakland, CA); Cherepy, Nerine (Oakland, CA)

    2011-08-16T23:59:59.000Z

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

  10. Chemically modified carbonic anhydrases useful in carbon capture systems

    DOE Patents [OSTI]

    Novick, Scott J; Alvizo, Oscar

    2013-10-29T23:59:59.000Z

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

  11. Chemically modified carbonic anhydrases useful in carbon capture systems

    DOE Patents [OSTI]

    Novick, Scott; Alvizo, Oscar

    2013-01-15T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    Nikos Iliopoulos; Andreas F. Terzis

    2014-08-01T23:59:59.000Z

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

  13. Recent progress in electron scattering from atoms and molecules

    SciTech Connect (OSTI)

    Brunger, M. J. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur (Malaysia); Buckman, S. J. [Institute of Mathematical Sciences, University of Malaya, Kuala Lumpur, Malaysia and Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Sullivan, J. P.; Palihawadana, P. [Centre for Antimatter-Matter Studies, AMPL, Australian National University, Canberra, ACT 0200 (Australia); Jones, D. B. [School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Chiari, L.; Pettifer, Z. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001 (Australia); Silva, G. B. da [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil); Lopes, M. C. A. [Centre for Antimatter-Matter Studies, CAPS, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia and Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Duque, H. V. [Departamento de Fisica, Universidade Federal de Juiz de Fora, Juiz de Fora, MG (Brazil); Masin, Z.; Gorfinkiel, J. D. [Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom); Garcia, G. [Instituto de Fisica Fundamental, CSIC, Madrid E-28006 (Spain); Hoshino, M.; Tanaka, H. [Department of Physics, Sophia University, Tokyo, 102-8554 (Japan); Limão-Vieira, P. [Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2014-03-05T23:59:59.000Z

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

  14. The Role of H2 Molecules in Cosmological Structure Formation

    E-Print Network [OSTI]

    Tom Abel; Zoltan Haiman

    2000-02-08T23:59:59.000Z

    We review the relevance of H2 molecules for structure formation in cosmology. Molecules are important at high redshifts, when the first collapsed structures appear with typical temperatures of a few hundred Kelvin. In these chemically pristine clouds, radiative cooling is dominated H2 molecules. As a result, H2 ``astro-chemistry'' is likely to determine the epoch when the first astrophysical objects appear. We summarize results of recent three-dimensional simulations. A discussion of the effects of feedback, and implications for the reionization of the universe is also given.

  15. Adsorption structure of water molecules on the Be(0001) surface

    SciTech Connect (OSTI)

    Yang, Yu; Li, Yanfang [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Wang, Shuangxi [College of Science, China University of Petroleum, Beijing 102249 (China); Zhang, Ping, E-mail: zhang-ping@iapcm.ac.cn [LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Center for Applied Physics and Technology, Peking University, Beijing 100871 (China)

    2014-06-07T23:59:59.000Z

    By using density functional theory calculations, we systematically investigate the adsorption of water molecules at different coverages on the Be(0001) surface. The coverage dependence of the prototype water structures and energetics for water adlayer growth are systematically studied. The structures, energetics, and electronic properties are calculated and compared with other available studies. Through our systematic investigations, we find that water molecules form clusters or chains on the Be(0001) surface at low coverages. When increasing the water coverage, water molecules tend to form a 2?×?2 hexagonal network on the Be(0001) surface.

  16. Fine structure of coupled optical modes in photonic molecules

    SciTech Connect (OSTI)

    Rakovich, Y.P.; Donegan, J.F.; Gerlach, M.; Bradley, A.L. [Semiconductor Photonics Group, Department of Physics, Trinity College, Dublin 2 (Ireland); Connolly, T.M.; Boland, J.J. [Department of Chemistry, Trinity College, Dublin 2 (Ireland); Gaponik, N. [Institute of Physical Chemistry, University of Hamburg, 20146 Hamburg (Germany); Rogach, A. [Photonics and Optoelectronics Group, Physics Department and CeNS, Ludwig-Maximilians Universitaet Muenchen, 80799 Munich (Germany)

    2004-11-01T23:59:59.000Z

    We report on the coherent coupling of whispering gallery modes (WGM) in a photonic molecule formed from two melamine-formaldehyde spherical microcavities with a thin shell of CdTe nanocrystals. Utilizing a microporous polymer structure to orient the photonic molecule, we have excited the photonic molecule both on and off axis. This controllable geometry has allowed the observation of an off-axis fine structure that consists of very sharp peaks resulting from the removal of the WGM degeneracy with respect to the azimuthal quantum number m. The mode splittings are in very good agreement with theory.

  17. Extension of the Si:C Stressor Thickness by Using Multiple ClusterCarbon Species

    SciTech Connect (OSTI)

    Sekar, Karuppanan; Krull, Wade [SemEquip, Inc. N. Billerica, MA, 01862 (United States)

    2011-01-07T23:59:59.000Z

    ClusterCarbon implantation is now well established as an attractive alternative for producing stress in advanced NMOS devices. ClusterCarbon has the advantage over monomer carbon implant in it's self-amorphization feature, eliminating the need for PAI implantation while producing highly substitutional carbon incorporation. To date, the limitation of this approach has been the high energy limit, due to the extraction limit of the available production tools for the preferred carbon species, which has been the C7Hx molecule. It is noted that the C7 species is produced by the breakup of the parent C14H14 molecule in the ion source. It is further noted that the preferred method of producing the Si:C stress layer is a multiple implant sequence with ClusterCarbon implants at various energies and doses designed to produce a carbon profile which is constant in-depth. The stressor thickness limit using C7 is known to be about 40 nm, which is less than the stressor thickness used in the conventional SiGe process for PMOS. In this work, it is shown that utilizing the C5 molecule which is also available from the breakup of C14H14 enables the stressor layer thickness to be extended to at least 60 nm, which is consistent with the conventional SiGe process. It will be shown that one additional C5 implant, performed after a standard C7 multiple implant sequence, can produce the extension of the stressor thickness while maintaining the flat depth profile. A detailed process characterization will be shown for this new process sequence.

  18. Molecular Line Observations of a Carbon-Chain-Rich Core L492

    E-Print Network [OSTI]

    Tomoya Hirota; Satoshi Yamamoto

    2006-04-04T23:59:59.000Z

    We report on molecular abundances and distributions in a starless dense core L492. We have found that the abundances of carbon-chain molecules such as CCS, C$_{3}$S, HC$_{3}$N, HC$_{5}$N, and HC$_{7}$N are comparable to those in chemically young dark cloud cores called "carbon-chain--producing regions", such as L1495B, L1521B, L1521E, and TMC-1. This is the first dark cloud core with extremely rich in carbon-chain-molecules that is found outside the Taurus region. In addition, the deuterium fractionation ratios of DNC/HNC and DCO$^{+}$/HCO$^{+}$ are also comparable to those in carbon-chain--producing regions, being significantly lower than those in the evolved prestellar cores such as L1498 and L1544. On the other hand, the abundances of NH$_{3}$ and N$_{2}$H$^{+}$ are systematically higher than those in carbon-chain--producing regions. Our mapping observations reveal that the central hole of molecular distributions, which were reported for CCS and C$^{34}$S in evolved prestellar cores is not significant in L492, indicating that the depletion factor of molecules is not very high. Furthermore, L492 is dynamically more evolved than carbon-chain--producing regions, and the protostellar collapse has started like L1498 and L1544. Therefore, it is likely that the chemical and dynamical evolutionary stage of L492 is intermediate between carbon-chain--producing regions (L1495B, L1521B, L1521E, and TMC-1) and evolved prestellar cores (L1498 and L1544).

  19. activated carbon composites: Topics by E-print Network

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

    T300: C strength 4340 steel, carbon-carbon composite, and Carbon-Silicon Carbide composite were tested to examine materials. MATERIALS AND DESIRED DATA Carbon-Carbon...

  20. ammonium carbonates: Topics by E-print Network

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

    T300: C strength 4340 steel, carbon-carbon composite, and Carbon-Silicon Carbide composite were tested to examine materials. MATERIALS AND DESIRED DATA Carbon-Carbon...

  1. a537 carbon steel: Topics by E-print Network

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

    T300: C strength 4340 steel, carbon-carbon composite, and Carbon-Silicon Carbide composite were tested to examine materials. MATERIALS AND DESIRED DATA Carbon-Carbon...

  2. americium carbonates: Topics by E-print Network

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

    T300: C strength 4340 steel, carbon-carbon composite, and Carbon-Silicon Carbide composite were tested to examine materials. MATERIALS AND DESIRED DATA Carbon-Carbon...

  3. affecting carbon tetrachloride: Topics by E-print Network

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

    T300: C strength 4340 steel, carbon-carbon composite, and Carbon-Silicon Carbide composite were tested to examine materials. MATERIALS AND DESIRED DATA Carbon-Carbon...

  4. Carbon contamination topography analysis of EUV masks

    E-Print Network [OSTI]

    Fan, Y.-J.

    2010-01-01T23:59:59.000Z

    induced carbon contamination of extreme ultraviolet optics,"and A. Izumi. "Carbon contamination of EL'V mask: filmEffect of Carbon Contamination on the Printing Performance

  5. Carbon Trading Protocols for Geologic Sequestration

    E-Print Network [OSTI]

    Hoversten, Shanna

    2009-01-01T23:59:59.000Z

    H. , 2005, IPCC: Carbon Capture and Storage: Technical05CH11231. INTRODUCTION Carbon capture and storage (CCS)Development Mechanism CCS: Carbon Capture and Storage C02e:

  6. Sandia National Laboratories: Carbon Capture & Storage

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

    Carbon Capture & Storage High-Pressure and High-Temperature Neutron Reflectometry Cell for Solid-Fluid Interface Studies On February 21, 2013, in Carbon Capture, Carbon Capture &...

  7. ASSESSMENT OF HOUSEHOLD CARBON FOOTPRINT REDUCTION POTENTIALS

    E-Print Network [OSTI]

    Masanet, Eric

    2010-01-01T23:59:59.000Z

    of  American household carbon footprint. ” Ecological and  limitations) of carbon footprint estimates toward of the art in carbon footprint analyses for California, 

  8. On carbon footprints and growing energy use

    E-Print Network [OSTI]

    Oldenburg, C.M.

    2012-01-01T23:59:59.000Z

    On carbon footprints and growing energy use Curtis M.reductions in the carbon footprint of a growing organizationhis own organization's carbon footprint and answers this

  9. Carbon nanotubes : synthesis, characterization, and applications

    E-Print Network [OSTI]

    Deck, Christian Peter

    2009-01-01T23:59:59.000Z

    around Surface-Attached Carbon Nanotubes. Ind. Eng. Chem.the flexural rigidity of carbon nanotube ensembles. AppliedNanotechnology in Carbon Materials. Acta Metallurgica, 1997.

  10. Participatory Carbon Monitoring: Operational Guidance for National...

    Open Energy Info (EERE)

    Participatory Carbon Monitoring: Operational Guidance for National REDD+ Carbon Accounting Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Participatory Carbon...

  11. 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

    E-Print Network [OSTI]

    Kung, Kyle Yi

    2000-01-01T23:59:59.000Z

    affect the reaction. CO poisons the hydrogenation ofbackground gasses its role as a poison is always present inOlefins and its Role as a Poison in Ethylene Hydrogenation

  12. Activated Carbon Composites for Air Separation

    SciTech Connect (OSTI)

    Baker, Frederick S [ORNL; Contescu, Cristian I [ORNL; Tsouris, Costas [ORNL; Burchell, Timothy D [ORNL

    2011-09-01T23:59:59.000Z

    Coal-derived synthesis gas is a potential major source of hydrogen for fuel cells. Oxygen-blown coal gasification is an efficient approach to achieving the goal of producing hydrogen from coal, but a cost-effective means of enriching O2 concentration in air is required. A key objective of this project is to assess the utility of a system that exploits porous carbon materials and electrical swing adsorption to produce an O2-enriched air stream for coal gasification. As a complement to O2 and N2 adsorption measurements, CO2 was used as a more sensitive probe molecule for the characterization of molecular sieving effects. To further enhance the potential of activated carbon composite materials for air separation, work was implemented on incorporating a novel twist into the system; namely the addition of a magnetic field to influence O2 adsorption, which is accompanied by a transition between the paramagnetic and diamagnetic states. The preliminary findings in this respect are discussed.

  13. Probing Valance and Core Excitons in Molecules by Coherent Multidimens...

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

    are simulated. Time-domain experiments that employ sequences of attosecond x-ray pulses in order to probe electronic and nuclear dynamics in molecules are made possible by...

  14. Gas-phase electron diffraction studies of unstable molecules 

    E-Print Network [OSTI]

    Noble-Eddy, Robert

    2009-01-01T23:59:59.000Z

    Gas-phase electron diffraction (GED) is the only viable technique for the accurate structural study of gas-phase molecules that contain more than ~10 atoms. Recent advances in Edinburgh have made it possible to study ...

  15. Estimation method for the thermochemical properties of polycyclic aromatic molecules

    E-Print Network [OSTI]

    Yu, Joanna

    2005-01-01T23:59:59.000Z

    Polycyclic aromatic molecules, including polycyclic aromatic hydrocarbons (PAHs) have attracted considerable attention in the past few decades. They are formed during the incomplete combustion of hydrocarbon fuels and are ...

  16. Isolated menthone reductase and nucleic acid molecules encoding same

    DOE Patents [OSTI]

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

    2013-04-23T23:59:59.000Z

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

  17. Single molecule analysis of DNA electrophoresis in microdevices

    E-Print Network [OSTI]

    Randall, Greg C

    2006-01-01T23:59:59.000Z

    Given that current electrophoresis technology is inadequate for mapping large O[100 kilobasepair] DNA, several promising lab-on-chip designs for DNA mapping have been recently proposed that require either 1) a DNA molecule ...

  18. Small Molecule Sensing by Local pH Modulation

    E-Print Network [OSTI]

    Huang, Da

    2013-11-14T23:59:59.000Z

    ). Studies with membranes composed of POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) yielded an equilibrium dissociation constant value of Kd = 180±47 µm for this small molecule-membrane interaction. And the influences of cholesterol...

  19. Three-body interactions with cold polar molecules

    E-Print Network [OSTI]

    Loss, Daniel

    , such as the Coulomb law, involve pairs of particles, and our understanding of the plethora of phenomena in condensedARTICLES Three-body interactions with cold polar molecules H. P. B ¨UCHLER*, A. MICHELI AND P

  20. A model for positron binding to polar molecules

    E-Print Network [OSTI]

    Gribakin, G F

    2015-01-01T23:59:59.000Z

    A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius. Using existing experimental data on binding energies leads to unphysically small core radii for all of the molecules studied. This suggests that electron-positron correlations neglected in the simple model play a large role in determining the binding energy. We account for these by including polarization potential via perturbation theory. The improved model enables reliable predictions of binding energies to be made for a range of polar organic molecules and hydrogen cyanide, whose binding energy is known from accurate quantum chemistry calculations. The model explains the linear dependence of the binding energies on the polarizability inferred from the experimental data [Danielson et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 235203].

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

    SciTech Connect (OSTI)

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

    2009-06-01T23:59:59.000Z

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

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

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

    Orientational Analysis of Molecules in Thin Films Monday, September 17, 2012 - 10:00am SSRL Bldg. 137, room 226 Daniel Kaefer The synchrotron-based X-ray absorption spectroscopy is...

  3. Multimonth controlled small molecule release from biodegradable thin films

    E-Print Network [OSTI]

    Hammond, Paula T.

    Long-term, localized delivery of small molecules from a biodegradable thin film is challenging owing to their low molecular weight and poor charge density. Accomplishing highly extended controlled release can facilitate ...

  4. The Charmonium-molecule hybrid structure of the X(3872)

    SciTech Connect (OSTI)

    Takizawa, Makoto [Showa Pharmaceutical University, Machida, Tokyo 194-8543 (Japan); Takeuchi, Sachiko [Japan College of Social Work, Kiyose, Tokyo 204-8555 (Japan); Shimizu, Kiyotaka [Department of Physics, Sophia University, Chiyoda-ku, Tokyo 102-8554 (Japan)

    2011-10-21T23:59:59.000Z

    We propose that the X(3872) has the charmonium and the DD*-bar hadronic molecule hybrid structure. We study the structure of the X(3872) using the schematic model with the separable interaction. The strengths of the couplings between the charmonium state and the hadronic molecule states are determined so as to reproduce the observed mass of the the X(3872). The isospin symmetry breaking is introduced by the mass differences of the neutral and charged D mesons. The obtained structure of the X(3872) is about 9% of cc-bar charmonium, 75% of the isoscalar DD*-bar molecule and 16percent; of the isovector DD*-bar molecule which explains observed properties of the X(3872) well.

  5. Author's personal copy Single VS Ribozyme Molecules Reveal Dynamic and

    E-Print Network [OSTI]

    Walter, Nils G.

    Catalysis Miguel J. B. Pereira1 , Evgenia N. Nikolova1,2 , Shawna L. Hiley3 , Dominic Jaikaran3 , Richard A molecule FRET to show that the VS ribozyme exhibits previously unobserved dynamic and heterogeneous

  6. Exploring the mechanome with optical tweezers and single molecule fluorescence

    E-Print Network [OSTI]

    Brau, Ricardo R. (Ricardo Rafael), 1979-

    2008-01-01T23:59:59.000Z

    The combination of optical tweezers and single molecule fluorescence into an instrument capable of making combined, coincident measurements adds an observable dimension that allows for the examination of the localized ...

  7. Computational modeling of biological molecule separation in nanofluidic devices

    E-Print Network [OSTI]

    Fayad, Ghassan Najib, 1982-

    2010-01-01T23:59:59.000Z

    Separation of biological molecules such as DNA and protein is of great importance for the chemical and pharmaceutical industries. In recent years, several researchers focused on fabricating patterned regular sieving ...

  8. Formation of rare earth carbonates using supercritical carbon dioxide

    DOE Patents [OSTI]

    Fernando, Quintus (Tucson, AZ); Yanagihara, Naohisa (Zacopan, MX); Dyke, James T. (Santa Fe, NM); Vemulapalli, Krishna (Tuscon, AZ)

    1991-09-03T23:59:59.000Z

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

  9. Diffusion through Carbon Nanotube Semipermeable membranes

    SciTech Connect (OSTI)

    Bakajin, O

    2006-02-13T23:59:59.000Z

    The goal of this project is to measure transport through CNTs and study effects of confinement at molecular scale. This work is motivated by several simulation papers in high profile journals that predict significantly higher transport rates of gases and liquids through carbon nanotubes as compared with similarly-sized nanomaterials (e.g. zeolites). The predictions are based on the effects of confinement, atomically smooth pore walls and high pore density. Our work will provide the first measurements that would compare to and hopefully validate the simulations. Gas flux is predicted to be >1000X greater for SWNTs versus zeolitesi. A high flux of 6-30 H2O/NT/ns {approx} 8-40 L/min for a 1cm{sup 2} membrane is also predicted. Neutron diffraction measurements indicate existence of a 1D water chain within a cylindrical ice sheet inside carbon nanotubes, which is consistent with the predictions of the simulation. The enabling experimental platform that we are developing is a semipermeable membrane made out of vertically aligned carbon nanotubes with gaps between nanotubes filled so that the transport occurs through the nanotubes. The major challenges of this project included: (1) Growth of CNTs in the suitable vertically aligned configuration, especially the single wall carbon nanotubes; (2) Development of a process for void-free filling gaps between CNTs; and (3) Design of the experiments that will probe the small amounts of analyte that go through. Knowledge of the behavior of water upon nanometer-scale confinement is key to understanding many biological processes. For example, the protein folding process is believed to involve water confined in a hydrophobic environment. In transmembrane proteins such as aquaporins, water transport occurs under similar conditions. And in fields as far removed as oil recovery and catalysis, an understanding of the nanoscale molecular transport occurring within the nanomaterials used (e.g. zeolites) is the key to process optimization. Furthermore, advancement of many emerging nanotechnologies in chemistry and biology will undoubtedly be aided by an understanding confined water transport, particularly the details of hydrogen bonding and solvation that become crucial on this length scale. We can envision several practical applications for our devices, including desalination, gas separations, dialysis, and semipermeable fabrics for protection against CW agents etc. The single wall carbon nanotube membranes will be the key platform for applications because they will allow high transport rates of small molecules such as water and eliminate solvated ions or CW agents.

  10. Carbon-particle generator

    DOE Patents [OSTI]

    Hunt, A.J.

    1982-09-29T23:59:59.000Z

    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.

  11. ISSUES IN EVALUATING CARBON SEQUESTRATION AND ATTRIBUTING CARBON CREDITS TO GRASSLAND RESTORATION EFFORTS

    E-Print Network [OSTI]

    Wisconsin at Madison, University of

    ISSUES IN EVALUATING CARBON SEQUESTRATION AND ATTRIBUTING CARBON CREDITS TO GRASSLAND RESTORATION examines biological carbon sequestration using a grassland restoration as a model system. Chapter 1 for biological carbon sequestration. In this analysis, we found that significantly greater soil carbon

  12. Ultrahard carbon nanocomposite films

    SciTech Connect (OSTI)

    SIEGAL,MICHAEL P.; TALLANT,DAVID R.; PROVENCIO,PAULA P.; OVERMYER,DONALD L.; SIMPSON,REGINA L.; MARTINEZ-MIRANDA,L.J.

    2000-01-27T23:59:59.000Z

    Modest thermal annealing to 600 C of diamondlike amorphous-carbon (a-C) films grown at room temperature results in the formation of carbon nanocomposites with hardness similar to diamond. These nanocomposite films consist of nanometer-sized regions of high density a-C embedded in an a-C matrix with a reduced density of 5--10%. The authors report on the evolution of density and bonding topologies as a function of annealing temperature. Despite a decrease in density, film hardness actually increases {approximately} 15% due to the development of the nanocomposite structure.

  13. Diffusional motion of redox centers in carbonate electrolytes

    SciTech Connect (OSTI)

    Han, Kee Sung [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Rajput, Nav Nidhi; Persson, Kristin A. [Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Wei, Xiaoliang; Wang, Wei [Energy and Environmental Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Hu, Jian Zhi [Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Mueller, Karl T., E-mail: karl.mueller@pnnl.gov [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

    2014-09-14T23:59:59.000Z

    Ferrocene (Fc) and N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistrifluoromethyl-sulfonimide (Fc1N112-TFSI) were dissolved in carbonate solvents and self-diffusion coefficients (D) of solutes and solvents were measured by {sup 1}H and {sup 19}F pulsed field gradient nuclear magnetic resonance (NMR) spectroscopy. The organic solvents were propylene carbonate (PC), ethyl methyl carbonate (EMC), and a ternary mixture that also includes ethylene carbonate (EC). Results from NMR studies over the temperature range of 0–50 °C and for various concentrations (0.25–1.7 M) of Fc1N112-TFSI are compared to values of D simulated with classical molecular dynamics (MD). The measured self-diffusion coefficients gradually decreased as the Fc1N112-TFSI concentration increased in all solvents. Since TFSI{sup ?} has fluoromethyl groups (CF{sub 3}), D{sub TFSI} could be measured separately and the values found are larger than those for D{sub Fc1N112} in all samples measured. The EC, PC, and EMC have the same D in the neat solvent mixture and when Fc is dissolved in EC/PC/EMC at a concentration of 0.2 M, probably due to the interactions between common carbonyl structures within EC, PC, and EMC. A difference in D (D{sub PC} < D{sub EC} < D{sub EMC}), and both a higher E{sub a} for translational motion and higher effective viscosity for PC in the mixture containing Fc1N112-TFSI reflect the interaction between PC and Fc1N112{sup +}, which is a relatively stronger interaction than that between Fc1N112{sup +} and other solvent species. In the EC/PC/EMC solution that is saturated with Fc1N112-TFSI, we find that D{sub PC} = D{sub EC} = D{sub EMC} and Fc1N112{sup +} and all components of the EC/PC/EMC solution have the same E{sub a} for translational motion, while the ratio D{sub EC/PC/EMC}/D{sub Fc1N112} is approximately 3. These results reflect the lack of available free volume for independent diffusion in the saturated solution. The Fc1N112{sup +} transference numbers lie around 0.4 and increase slightly as the temperature is increased in the PC and EMC solvents. The trends observed for D from simulations are in good agreement with experimental results and provide molecular level understanding of the solvation structure of Fc1N112-TFSI dissolved in EC/PC/EMC.

  14. Diffusional Motion of Redox Centers in Carbonate Electrolytes

    SciTech Connect (OSTI)

    Han, Kee Sung; Rajput, Nav Nidhi; Wei, Xiaoliang; Wang, Wei; Hu, Jian Z.; Persson, Kristin A.; Mueller, Karl T.

    2014-09-14T23:59:59.000Z

    Ferrocene (Fc) and N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistrifluoromethyl-sulfonimide (Fc1N112-TFSI) were dissolved in carbonate solvents and self diffusion coefficents (D) of solutes and solvents were measured by 1H and 19F pulsed field gradient (PFG) nuclear magnetic resonance (NMR) spectroscopy. The organic solvents were propylene carbonate (PC), ethyl methyl carbonate (EMC) and a ternary mixture that also includes ethylene carbonate (EC). Results from NMR studies over the temperature range of 0-50 °C and for various concentrations (0.25 - 1.7 M) of Fc1N112-TFSI are compared to values of D simulated with classical molecular dynamics (MD). The measured self-diffusion coefficients gradually decreased as the Fc1N112-TFSI concentration increased in all solvents. Since the peaks for the two ions (Fc1N212 and TFSI) are separated in one-dimensional NMR spectra, separate diffusion coefficients could be measured and DTFSI is larger than DFc1N112 in all samples measured. The EC, PC and EMC have the same D in the neat solvent mixture and when Fc is dissolved in EC/PC/EMC at a concentration of 0.2 M, probably due to the interactions between common carbonyl structures within EC, PC and EMC. A difference in D (DPC < DEC < DEMC), and both a higher Ea for translational motion and higher effective viscosity for PC in the mixture containing Fc1N112-TFSI reflect the interaction between PC and Fc1N112+, which is a relatively stronger interaction than that between Fc1N112+ and other solvent species. In the EC/PC/EMC solution that is saturated with Fc1N112-TFSI, we find that DPC = DEC = DEMC and Fc1N112+ and all components of the EC/PC/EMC solution have the same Ea for translational motion, while the ratio DEC/PC/EMC/DFc1N112+ is approximately 3. These results reflect the lack of available free volume for independent diffusion in the saturated solution. The Fc1N112+ transference numbers lie around 0.4 and increases slightly as the temperature is increased in the PC and EMC solvents. The trends observed for D from simulations are in good agreement with experimental results and provide molecular level understanding of the solvation structure of Fc1N112-TFSI dissolved in EC/PC/EMC.

  15. Low Cost Carbon Fiber Production Carbon Fiber Manufacturing Cost Modeling

    E-Print Network [OSTI]

    to bond with composite matrix material. It is important that a carbon fiber manufacturing cost model manufactured with carbon fiber as opposed to traditional materials such as steel, automotive parts are able associated with both the manufacture of carbon fibers themselves as well as their composites. Traditional

  16. Determination of the number of catalytic sites for ethylene-octene copolymers made with heterogeneous catalyst via interpretation of ?p13?sC NMR sequence distribution

    E-Print Network [OSTI]

    Moldovan, Daniel Gene

    1990-01-01T23:59:59.000Z

    DETERMINATION OF THE NUMBER OF CATALYTIC SITES FOR ETHYLENE-OCTENE COPOLYMERS MADE WITH HETEROGENEOUS CATALYST VIA INTERPRETATION OF C NMR SEQUENCE DISTRIBUTION A Thesis by DANIEL GENE MOLDOVAN Submitted to the Office of Graduate Studies... VIA INTERPRETATION OF C NMR SEQUENCE DISTRIBUTION A Thesis by DANIEL GENE MOLDOVAN Approved as to style and content by: C. A. J. oeve (Chair of t e committee) E. A. Meyers (Member) E. T. Ad m" (Member) J. S. Ham (Member) M. B. Hall (Head...

  17. Photofragmentation in linked donor-acceptor molecules. Intramolecular single electron transfer induced cleavage of a 1,2-diamine

    SciTech Connect (OSTI)

    Leon, J.W.; Whitten, D.G. (Univ. of Rochester, NY (United States))

    1993-09-08T23:59:59.000Z

    Two intramolecular donor-acceptor molecules which fragment by a single electron transfer initiated cation radical carbon-carbon bond cleavage have been synthesized and their photoreactivity studied. The intramolecular [open quotes]diads[close quotes] consist of a 1,2-diamine linked via an ester bond to either an anthraquinone or a 9,10-dicyanoanthracene electron-acceptor chromophore. As the covalent linkage between the donor and acceptor chromophores prevents solvent separation of the photogenerated radical ion pair, these systems provide a [open quotes]clock[close quotes] to examine directly competition between fragmentation and back electron transfer. The linked anthraquinone molecule fragments efficiently, with quantum yields approaching 80%, despite the inability of the photoproduced radical ions to separate. These high yields may be attributed to a slow, spin-forbidden back electron transfer and a rapid fragmentation. In contrast, the quantum yields for the dicyanoanthracene diad (reactive singlet) are markedly lower, less than 0.001 in benzene. The reactivity of comparable intermolecular donor-acceptor combinations is also reported. 54 refs., 3 figs., 2 tabs.

  18. Effect of an organic molecular coating on control over the conductance of carbon nanotube channel

    SciTech Connect (OSTI)

    Bobrinetskiy, I. I.; Emelianov, A. V.; Nevolin, V. K., E-mail: vkn@miee.ru; Romashkin, A. V. [National Research University “Moscow Institute of Electronic Technology” (MIET) (Russian Federation)

    2014-12-15T23:59:59.000Z

    It is shown that the coating of carbon nanotubes with molecules with a constant dipole moment changes the conductance of the tubes due to a variation in the structure of energy levels that participate in charge transport. The I–V characteristics of the investigated structures exhibit significant dependence of the channel conductance on the gate potential. The observed memory effect of conductance level can be explained by the rearrangement of polar groups and molecules as a whole in an electric field. The higher the dipole moment per unit length and the weaker the intermolecular interaction, the faster the rearrangement process is.

  19. Irradiation Stability of Carbon Nanotubes 

    E-Print Network [OSTI]

    Aitkaliyeva, Assel

    2010-01-14T23:59:59.000Z

    Ion irradiation of carbon nanotubes is a tool that can be used to achieve modification of the structure. Irradiation stability of carbon nanotubes was studied by ion and electron bombardment of the samples. Different ion ...

  20. Sensor applications of carbon nanotubes

    E-Print Network [OSTI]

    Rushfeldt, Scott I

    2005-01-01T23:59:59.000Z

    A search of published research on sensing mechanisms of carbon nanotubes was performed to identify applications in which carbon nanotubes might improve on current sensor technologies, in either offering improved performance, ...

  1. First Proof of Ferromagnetic Carbon

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

    Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts to...

  2. Large Magnetization at Carbon Surfaces

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

    Large Magnetization at Carbon Surfaces Print From organic matter to pencil lead, carbon is a versatile element. Now, another use has been found: magnets. One would not expect pure...

  3. Carbon nanotubes: synthesis and functionalization 

    E-Print Network [OSTI]

    Andrews, Robert

    2007-01-01T23:59:59.000Z

    conditions were then used as the basis of several comparative CVD experiments showing that the quality of nanotubes and the yield of carbon depended on the availability of carbon to react. The availability could be controlled by the varying concentration...

  4. First Proof of Ferromagnetic Carbon

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

    First Proof of Ferromagnetic Carbon Print Although it has long been suspected that carbon belongs on the short list of materials that can be magnetic at room temperature, attempts...

  5. Syngas Segregation Induced by Confinement in Carbon Nanotubes: A Combined First-Principles and Monte Carlo Study

    E-Print Network [OSTI]

    Bao, Xinhe

    Syngas Segregation Induced by Confinement in Carbon Nanotubes: A Combined First of the concave and convex surfaces of CNTs formed by graphene layers. As a result, syngas molecules are enriched of CO/H2 inside CNTs increases with respect to the composition of syngas in the exterior gas phase

  6. Controlled Growth of Single-Walled Carbon Nanotubes and Application to CNT-Si Heterojunction Solar Cells

    E-Print Network [OSTI]

    Maruyama, Shigeo

    Controlled Growth of Single-Walled Carbon Nanotubes and Application to CNT-Si Heterojunction Solar assembly of SWNTs for SWNT-Si heterojunction solar cells will be discussed. We found the reversible to be encapsulated diatomic N2 molecules interior of SWNTs with the content of 1 at %. We address that the nitrogen

  7. Conversion of CO2 into Commercial Materials Using Carbon Feedstocks

    SciTech Connect (OSTI)

    Shen, Jian-Ping; Peters, Jonathan; Lail, Marty; Mobley, Paul; Turk, Brian

    2014-05-31T23:59:59.000Z

    In this project, our research focused on developing reaction chemistry that would support using carbon as a reductant for CO2 utilization that would permit CO2 consumption on a scale that would match or exceed anthropomorphic CO2 generation for energy production from fossil fuels. Armed with the knowledge that reactions attempting to produce compounds with an energy content greater than CO2 would be thermodynamically challenged and/or require significant amounts of energy, we developed a potential process that utilized a solid carbon source and recycled the carbon to effectively provide infinite time for the carbon to react. During testing of different carbon sources, we found a wide range of reaction rates. Biomass-derived samples had the most reactivity and coals and petcoke had the lowest. Because we had anticipated this challenge, we recognized that a catalyst would be necessary to improve reaction rates and conversion. From the data analysis of carbon samples, we recognized that alkali metals improved the reaction rate. Through parametric testing of catalyst formulations we were able to increase the reaction rate with petcoke by a factor of >70. Our efforts to identify the reaction mechanism to assist in improving the catalyst formulation demonstrated that the catalyst was catalyzing the extraction of oxygen from CO2 and using this extracted oxygen to oxidize carbon. This was a significant discovery in that if we could modify the catalyst formulation to permit controlled the oxidation, we would have a very power selective oxidation process. With selective oxidation, CO2 utilization could be effective used as one of the process steps in making many of the large volume commodity chemicals that support our modern lifestyles. The key challenges for incorporating these functionalities into the catalyst formulation were to make the oxidation selective and lower the temperature required for catalytic activity. We identified four catalyst families that had the potential to meet these challenges. Initial screening of the catalyst families did show that the reduction/oxidation activity did occur at lower temperatures and that these catalysts were able to cause carbon chain growth as well as C—C cleavage. A preliminary techno-economic feasibility of using petcoke/catalyst to produce a CO-rich syngas product was completed and showed significant economic promise. Testing of the different catalyst families demonstrated that Catalyst A was able to stably produce 5 sccm of ethylene/gram of catalyst at 900°C for one hour. For dry methane reforming, our Catalyst 4 was able to achieve production rates of > 10 sccm of CO and > 3 sccm of H2 per gram of catalyst at 600°C and 350 psig. Based on these developments, the potential for CO2 utilization in the production of large volume commodity chemicals is very promising.

  8. 14 April 2001 tmospheric carbon dioxide

    E-Print Network [OSTI]

    Teskey, Robert O.

    emissions is through increased carbon sequestration into forests. In a large-scale assessment, Birdsey- ing carbon sequestration in southern forests. Carbon sequestration via southern pine forests may policy commitments. Keywords: carbon sequestration; southern pine forests ABSTRACT MEETING GLOBAL POLICY

  9. Nanocrystal Molecules as Unique Systems for Structural, Mechanical, and Optoelectronic Studies

    E-Print Network [OSTI]

    Choi, Charina

    2012-01-01T23:59:59.000Z

    Just as a hydrogen molecule has properties distinct fromdifferent properties from individual hydrogen atoms, a keyhydrogen atoms, a key feature of nanocrystal molecules is that they exhibit properties

  10. From Artificial Atoms to Nanocrystal Molecules: Preparation and Properties of More Complex Nanostructures

    E-Print Network [OSTI]

    Choi, Charina L

    2010-01-01T23:59:59.000Z

    Just as a hydrogen molecule has properties distinct fromdifferent properties from individual hydrogen atoms, a keyhydrogen atoms, a key feature of nanocrystal molecules is that they exhibit properties

  11. Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic...

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

    Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic Hybrid Thermoelectrics Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic Hybrid Thermoelectrics Demonstrates...

  12. Distributed Energy Resources for Carbon Emissions Mitigation

    E-Print Network [OSTI]

    Firestone, Ryan; Marnay, Chris

    2008-01-01T23:59:59.000Z

    Distributed Energy Resource Technology Characterizations. ”ABORATORY Distributed Energy Resources for Carbon Emissions5128 Distributed Energy Resources for Carbon Emissions

  13. Project Profile: Direct Supercritical Carbon Dioxide Receiver...

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

    Direct Supercritical Carbon Dioxide Receiver Development Project Profile: Direct Supercritical Carbon Dioxide Receiver Development National Renewable Energy Laboratory logo The...

  14. Electrobiocommodities from Carbon Dioxide: Enhancing Microbial...

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

    Electrobiocommodities from Carbon Dioxide: Enhancing Microbial Electrosynthesis with Synthetic Electromicrobiology and System Design Electrobiocommodities from Carbon Dioxide:...

  15. Carbon Footprint Calculator

    Broader source: Energy.gov [DOE]

    This calculator estimates the amount of carbon emissions you and members of your household are responsible for. It does not include emissions associated with your work or getting to work if you commute by public transportation. It was developed by IEEE Spectrum magazine.

  16. Carbon smackdown: smart windows

    ScienceCinema (OSTI)

    Delia Milliron

    2010-09-01T23:59:59.000Z

    August 3, 2010 Berkeley Lab talk: In the fourth of five Carbon Smackdown matches, Berkeley Lab researchers Delia Milliron of the Materials Sciences Division and Stephen Selkowitz of the Environmental Energy Technologies Division talk about their work on energy-saving smart windows.

  17. Carbon smackdown: wind warriors

    SciTech Connect (OSTI)

    Glen Dahlbacka of the Accelerator & Fusion Research Division and Ryan Wiser of the Environmental Energy Technologies Division are the speakers.

    2010-07-21T23:59:59.000Z

    July 16. 2010 carbon smackdown summer lecture: learn how Berkeley Lab scientists are developing wind turbines to be used in an urban setting, as well as analyzing what it will take to increase the adoption of wind energy in the U.S.

  18. CARBON -14 PHYSICAL DATA

    E-Print Network [OSTI]

    Vallino, Joseph J.

    CARBON - 14 [14C] PHYSICAL DATA · Beta Energy: 156 keV (maximum) 49 keV (average) (100% abundance on wipes. #12;RADIATION MONITORING DOSIMETERS · Not needed (beta energy too low). · 14C Beta Dose Rate: 6) · Effective Half-Life: 40 days (unbound) · Specific Activity: 4460 mCi/gram · Maximum Beta Range in Air: 24

  19. Carbon smackdown: wind warriors

    ScienceCinema (OSTI)

    Glen Dahlbacka of the Accelerator & Fusion Research Division and Ryan Wiser of the Environmental Energy Technologies Division are the speakers.

    2010-09-01T23:59:59.000Z

    July 16. 2010 carbon smackdown summer lecture: learn how Berkeley Lab scientists are developing wind turbines to be used in an urban setting, as well as analyzing what it will take to increase the adoption of wind energy in the U.S.

  20. 4, 99123, 2007 Amazon carbon

    E-Print Network [OSTI]

    Boyer, Edmond

    , suggested much larger estimates for tropical forest carbon sequestration in the Ama- zon BasinBGD 4, 99­123, 2007 Amazon carbon balanc J. Lloyd et al. Title Page Abstract Introduction Discussions is the access reviewed discussion forum of Biogeosciences An airborne regional carbon balance

  1. 3, 409447, 2006 Modeling carbon

    E-Print Network [OSTI]

    Boyer, Edmond

    BGD 3, 409­447, 2006 Modeling carbon dynamics in farmland of China F. Zhang et al. Title Page impacts of management alternatives on soil carbon storage of farmland in Northwest China F. Zhang1,3 , C-term losses of soil organic carbon (SOC) have been observed in many agricul- ture lands in Northwest China

  2. 7, 405428, 2007 SCIAMACHY carbon

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    with an increasing energy demand and inherent fuel consump- tion such as China. Carbon monoxide (CO) contributesACPD 7, 405­428, 2007 SCIAMACHY carbon monoxide M. Buchwitz et al. Title Page Abstract Introduction Discussions Three years of global carbon monoxide from SCIAMACHY: comparison with MOPITT and first results

  3. 4, 21112145, 2007 Enhanced carbon

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    are generally low in productivity and carbon (C) storage. We report, however, large increases in C sequestration . Carbon sequestration following afforestation was associated with increased N use efficiency as reflected of terrestrial ecosystems that leads to increased carbon (C) sequestration. One of those means is afforestation

  4. Dispersion toughened silicon carbon ceramics

    DOE Patents [OSTI]

    Wei, G.C.

    1984-01-01T23:59:59.000Z

    Fracture resistant silicon carbide ceramics are provided by incorporating therein a particulate dispersoid selected from the group consisting of (a) a mixture of boron, carbon and tungsten, (b) a mixture of boron, carbon and molybdenum, (c) a mixture of boron, carbon and titanium carbide, (d) a mixture of aluminum oxide and zirconium oxide, and (e) boron nitride. 4 figures.

  5. Research Report Forests and carbon

    E-Print Network [OSTI]

    Research Report Forests and carbon: valuation, discounting and risk management #12;#12;Forests and carbon: valuation, discounting and risk management Gregory Valatin Forestry Commission: Edinburgh-0-85538-815-7 Valatin, G. (2010). Forests and carbon: valuation, discounting and risk management. Forestry Commission

  6. 1, 167193, 2004 Terrestrial carbon

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    BGD 1, 167­193, 2004 Terrestrial carbon budget at country-scale I. A. Janssens et al. Title Page Biogeosciences Discussions is the access reviewed discussion forum of Biogeosciences The carbon budget.janssens@ua.ac.be) 167 #12;BGD 1, 167­193, 2004 Terrestrial carbon budget at country-scale I. A. Janssens et al. Title

  7. Multifunctional Superhydrophobic Polymer/Carbon Nanocomposites: Graphene, Carbon Nanotubes, or Carbon Black?

    E-Print Network [OSTI]

    Daraio, Chiara

    Multifunctional Superhydrophobic Polymer/Carbon Nanocomposites: Graphene, Carbon Nanotubes, Switzerland *S Supporting Information ABSTRACT: Superhydrophobic surfaces resisting water penetration fabrication of highly electrically conductive, polymer-based superhydrophobic coatings, with impressive

  8. CALCULATING THE CARBON FOOTPRINT SUPPLY CHAIN FOR

    E-Print Network [OSTI]

    Su, Xiao

    CALCULATING THE CARBON FOOTPRINT SUPPLY CHAIN FOR THE SEMICONDUCTOR INDUSTRY By: Yasser Dessouky #12;Carbon Footprint Supply Chain Carbon Trust defines carbon footprint of a supply chain as follows: "The carbon footprint of a product is the carbon dioxide emitted across the supply chain for a single

  9. 6, 34193463, 2006 Black carbon or

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    ACPD 6, 3419­3463, 2006 Black carbon or brown carbon M. O. Andreae and A. Gelencs´er Title Page Chemistry and Physics Discussions Black carbon or brown carbon? The nature of light-absorbing carbonaceous;ACPD 6, 3419­3463, 2006 Black carbon or brown carbon M. O. Andreae and A. Gelencs´er Title Page

  10. Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide)-based lithium polyether-ester-sulfonate ionomers

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

    Roach, David J.; Dou, Shichen; Colby, Ralph H.; Mueller, Karl T.

    2012-01-01T23:59:59.000Z

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies formore »motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.« less

  11. Nuclear Magnetic Resonance Investigation of Dynamics in Poly(Ethylene Oxide) Based Lithium Polyether-ester-sulfonate Ionomers

    SciTech Connect (OSTI)

    Roach, David J.; Dou, Shichen; Colby, Ralph H.; Mueller, Karl T.

    2012-01-07T23:59:59.000Z

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies of both the polymer and lithium ions in the lower ion content samples indicate that the polymer segmental motion and lithium ion hopping motion are correlated even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample due to the presence of ionic aggregation. Details about the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.

  12. Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide)-based lithium polyether-ester-sulfonate ionomers

    SciTech Connect (OSTI)

    Roach, David J. [Pennsylvania State University, University Park, PA (United States); Dou, Shichen [Pennsylvania State University, University Park, PA (United States); Colby, Ralph H. [Pennsylvania State University, University Park, PA (United States); Mueller, Karl T. [Pacific Northwest Lab., Richland, WA (United States)

    2012-01-06T23:59:59.000Z

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies for motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.

  13. Nuclear magnetic resonance investigation of dynamics in poly(ethylene oxide)-based lithium polyether-ester-sulfonate ionomers

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

    Roach, David J. [Pennsylvania State University, University Park, PA (United States); Dou, Shichen [Pennsylvania State University, University Park, PA (United States); Colby, Ralph H. [Pennsylvania State University, University Park, PA (United States); Mueller, Karl T. [Pacific Northwest Lab., Richland, WA (United States). Environmental Molecular Sciences Lab.

    2012-01-01T23:59:59.000Z

    Nuclear magnetic resonance (NMR) spectroscopy has been utilized to investigate the dynamics of poly(ethylene oxide)-based lithium sulfonate ionomer samples that have low glass transition temperatures. 1H and 7Li spin-lattice relaxation times (T1) of the bulk polymer and lithium ions, respectively, were measured and analyzed in samples with a range of ion contents. The temperature dependence of T1 values along with the presence of minima in T1 as a function of temperature enabled correlation times and activation energies to be obtained for both the segmental motion of the polymer backbone and the hopping motion of lithium cations. Similar activation energies for motion of both the polymer and lithium ions in the samples with lower ion content indicate that the polymer segmental motion and lithium ion hopping motion are correlated in these samples, even though their respective correlation times differ significantly. A divergent trend is observed for correlation times and activation energies of the highest ion content sample with 100% lithium sulfonation due to the presence of ionic aggregation. Details of the polymer and cation dynamics on the nanosecond timescale are discussed and complement the findings of X-ray scattering and Quasi Elastic Neutron Scattering experiments.

  14. Enhancement of the predicted drug hepatotoxicity in gel entrapped hepatocytes within polysulfone-g-poly (ethylene glycol) modified hollow fiber

    SciTech Connect (OSTI)

    Shen Chong [Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou, Zhejiang 310027 (China); Zhang Guoliang [Institute of Biological and Environmental Engineering, Zhejiang University of Technology, Zhejiang 310012 (China); Meng Qin, E-mail: mengq@zju.edu.c [Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou, Zhejiang 310027 (China)

    2010-12-01T23:59:59.000Z

    Collagen gel-based 3D cultures of hepatocytes have been proposed for evaluation of drug hepatotoxicity because of their more reliability than traditional monolayer culture. The collagen gel entrapment of hepatocytes in hollow fibers has been proven to well reflect the drug hepatotoxicity in vivo but was limited by adsorption of hydrophobic drugs onto hollow fibers. This study aimed to investigate the impact of hollow fibers on hepatocyte performance and drug hepatotoxicity. Polysulfone-g-poly (ethylene glycol) (PSf-g-PEG) hollow fiber was fabricated and applied for the first time to suppress the drug adsorption. Then, the impact of hollow fibers was evaluated by detecting the hepatotoxicity of eight selected drugs to gel entrapped hepatocytes within PSf and PSf-g-PEG hollow fibers, or without hollow fibers. The hepatocytes in PSf-g-PEG hollow fiber showed the highest sensitivity to drug hepatotoxicity, while those in PSf hollow fiber and cylindrical gel without hollow fiber underestimated the hepatotoxicity due to either drug adsorption or low hepatic functions. Therefore, the 3D culture of gel entrapped hepatocytes within PSf-g-PEG hollow fiber would be a promising tool for investigation of drug hepatotoxicity in vitro.

  15. Reactions of carbon atoms in pulsed molecular beams

    SciTech Connect (OSTI)

    Reisler, H. [Univ. of Southern California, Los Angeles (United States)

    1993-12-01T23:59:59.000Z

    This research program consists of a broad scope of experiments designed to unravel the chemistry of atomic carbon in its two spin states, P and D, by using well-controlled initial conditions and state-resolved detection of products. Prerequisite to the proposed studies (and the reason why so little is known about carbon atom reactions), is the development of clean sources of carbon atoms. Therefore, in parallel with the studies of its chemistry and reaction dynamics, the authors continuously explore new, state-specific and efficient ways of producing atomic carbon. In the current program, C({sup 3}P) is produced via laser ablation of graphite, and three areas of study are being pursued: (i) exothermic reactions with small inorganic molecules (e.g., O{sub 2}, N{sub 2}O, NO{sub 2}) that can proceed via multiple pathways; (ii) the influence of vibrational and translational energy on endothermic reactions involving H-containing reactants that yield CH products (e.g., H{sub 2}O H{sub 2}CO); (iii) reactions of C({sup 3}P) with free radicals (e.g., HCO, CH{sub 3}O). In addition, the authors plan to develop a source of C({sup 1}D) atoms by exploiting the pyrolysis of diazotetrazole and its salts in the ablation source. Another important goal involves collaboration with theoreticians in order to obtain relevant potential energy surfaces, rationalize the experimental results and predict the roles of translational and vibrational energies.

  16. Catalytic Carbon-Carbon and Carbon-Silicon Bond Activation and Functionalization by Nickel Complexes

    E-Print Network [OSTI]

    Jones, William D.

    Catalytic Carbon-Carbon and Carbon-Silicon Bond Activation and Functionalization by Nickel of Rochester, Rochester, New York 14627 Received June 11, 1999 The nickel alkyne complexes (dippe)Ni(Me3Si, and nickel phosphine complexes.3 Milstein and co-workers reported the cata- lytic hydrogenolysis

  17. Carbon Capture and Storage, 2008

    ScienceCinema (OSTI)

    None

    2010-01-08T23:59:59.000Z

    The U.S. Department of Energy is researching the safe implementation of a technology called carbon sequestration, also known as carbon capture and storage, or CCS. Based on an oilfield practice, this approach stores carbon dioxide, or CO2 generated from human activities for millennia as a means to mitigate global climate change. In 2003, the Department of Energys National Energy Technology Laboratory formed seven Regional Carbon Sequestration Partnerships to assess geologic formations suitable for storage and to determine the best approaches to implement carbon sequestration in each region. This video describes the work of these partnerships.

  18. Carbon Capture and Storage, 2008

    SciTech Connect (OSTI)

    2009-03-19T23:59:59.000Z

    The U.S. Department of Energy is researching the safe implementation of a technology called carbon sequestration, also known as carbon capture and storage, or CCS. Based on an oilfield practice, this approach stores carbon dioxide, or CO2 generated from human activities for millennia as a means to mitigate global climate change. In 2003, the Department of Energys National Energy Technology Laboratory formed seven Regional Carbon Sequestration Partnerships to assess geologic formations suitable for storage and to determine the best approaches to implement carbon sequestration in each region. This video describes the work of these partnerships.

  19. EB2012-MS-43 ADVANCES IN THE MODELLING OF CARBON/CARBON

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    , the Carbon-Carbon composites (C/C) are materials frequently used in industrial applications such as planeEB2012-MS-43 ADVANCES IN THE MODELLING OF CARBON/CARBON COMPOSITE UNDER TRIBOLOGICAL CONSTRAINTS 1, homogenization, carbon ABSTRACT Thermo mechanical properties of Carbon-Carbon composite (C/C) allow them

  20. Carbon Cycle Discussion After the warm-up quiz, discuss the carbon cycle.

    E-Print Network [OSTI]

    Carrington, Emily

    Carbon Cycle Discussion After the warm-up quiz, discuss the carbon cycle. Carbon is one is without carbon. Where else is carbon on our Earth? In rocks, living organisms, the atmosphere, oceans Does carbon stay in one place? What processes include moving carbon? Introduce residence time: How long does