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Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


1

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

E-Print Network [OSTI]

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

Anonymous

1966-01-01T23:59:59.000Z

2

Coadsorption of hydrogen and ethylene, and carbon monoxide and ethylene on the Ru(001) surface  

SciTech Connect (OSTI)

A detailed investigation of the coadsorption of ethylene with both preadsorbed hydrogen and preadsorbed carbon monoxide on the Ru(001) surface is reported here. Both preadsorbed hydrogen and carbon monoxide reduce the saturation coverage of subsequently chemisorbed ethylene. The coadsorption of hydrogen with ethylene results in detectable hydrogenation of ethylene to ethane below 250 K, whereas no self-hydrogenation of ethylene to ethane is observed. High-resolution electron energy loss spectra show that ethylene coadsorbed with either hydrogen or carbon monoxide decomposes to ethylidyne (CCH/sub 3/) and acetylide (CCH), as it does on the clean surface. Carbon monoxide preadsorption enhances the stability of the ethylidyne such that it decomposes at approximately 420 K, rather than 355 K as on the initially clean Ru(001) surface. Preadsorbed carbon monoxide also reduces the ratio of ethylidyne to acetylide that is formed from ethylene, compared to the ratio observed from an equivalent coverage of ethylene on the clean surface; hydrogen preadsorption, on the other hand, increases this ratio.

Hills, M.M.; Parmeter, J.E.; Weinberg, W.H.

1986-11-12T23:59:59.000Z

3

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

E-Print Network [OSTI]

Ethylene ¯ame synthesis of well-aligned multi-walled carbon nanotubes Liming Yuan a , Kozo Saito a and curved shape multi-walled carbon nanotubes (MWNTs) were harvested from an ethylene±air diusion ¯ame applied to the nitrogen-diluted ethylene diusion ¯ame; well-aligned and well-graphitized carbon nanotubes

Chen, Zhi

4

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

E-Print Network [OSTI]

Ethylene Carbonate in Li-Ion Battery Electrolyte Guoyingof a commercial Li-ion battery electrolyte containing 2 %are an important part of Li-ion battery technology yet their

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

2005-01-01T23:59:59.000Z

5

Scaffolding Carbon Nanotubes into Single-Molecule Circuitry  

E-Print Network [OSTI]

tion of individual carbon nanotubes. Nano Lett. 3, 613 (C. Dekker: Enzyme-coated carbon nanotubes as single-moleculeing point defects in carbon nanotubes. Nat. Mater. 4, 906 (

Collins, Philip G

2008-01-01T23:59:59.000Z

6

Selective Detection of Ethylene Gas Using Carbon Nanotube-based Devices: Utility in Determination of Fruit Ripeness  

E-Print Network [OSTI]

Comparing apples and oranges: A chemoresistive sensor for ethylene can be obtained simply by mixing copper complex 1 with single-walled carbon nanotubes. The resulting devices show sub-ppm sensitivity and high selectivity ...

Swager, Timothy Manning

7

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

SciTech Connect (OSTI)

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.

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

2014-12-01T23:59:59.000Z

8

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

SciTech Connect (OSTI)

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.

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

2005-05-12T23:59:59.000Z

9

Atomic-Scale Detection of Organic Molecules Coupled to Single-Walled Carbon Nanotubes  

E-Print Network [OSTI]

Atomic-Scale Detection of Organic Molecules Coupled to Single-Walled Carbon Nanotubes Sung You Hong.green@chem.ox.ac.uk; ben.davis@chem.ox.ac.uk Functionalized carbon nanotubes (f-CNTs) bearing organic molecules functionalization of single-walled carbon nanotubes (SWNTs) can tailor critical proper- ties such as solubility

Davis, Ben G.

10

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

E-Print Network [OSTI]

UHV-TERS TERS in air Characterization of dye molecules and carbon nanostructures by tip visible with confocal Raman spectroscopy. We present confocal Raman and TERS spectra of dye molecules

Nabben, Reinhard

11

Supporting Information to: Single-Molecule Electrocatalysis by Single-Walled Carbon Nanotubes  

E-Print Network [OSTI]

S1 Supporting Information to: Single-Molecule Electrocatalysis by Single-Walled Carbon Nanotubes. Experimental Methods I.1. Purification of SWNTs. The single-walled carbon nanotubes were purchased from Carbon Nanotechnologies Incorporated (Purified HiPCO single-walled carbon nanotubes). These SWNTs have an average diameter

Chen, Peng

12

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

SciTech Connect (OSTI)

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

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

2009-03-24T23:59:59.000Z

13

Collision dynamics of polyatomic molecules containing carbon rings at low temperatures  

SciTech Connect (OSTI)

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.

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

14

Low pressure noncryogenic processing for ethylene recovery  

SciTech Connect (OSTI)

This patent describes a process for recovering ethylene from a hydrocarbon gas feed stream containing components selected from the group consisting of hydrogen, nitrogen, methane, carbon monoxide, at least 5 mol % of ethylene, ethane, heavier saturated and unsaturated hydrocarbons and mixtures. It comprises: countercurrently contacting the hydrocarbon gas feed stream with a lean physical solvent. It comprises paraffinic solvents; naphthenic solvents; benzene, toluene, C{sub 8}--C{sub 10} aromatic compounds; dialkyl ethers of polyalkylene glycol; regenerating the ethylene rich solvent in a distillation column equipped with at least one reflux condenser and at least one reboiler to produce ethylene plus hydrocarbon product as an overhead stream and the lean physical solvent as a bottom stream, the ethylene plus hydrocarbon product being suitable for bypassing a downstream demethanizer.

Mehrta, Y.R.

1991-05-28T23:59:59.000Z

15

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

SciTech Connect (OSTI)

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.

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

16

Ethylene insensitive plants  

SciTech Connect (OSTI)

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.

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

2007-05-22T23:59:59.000Z

17

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

E-Print Network [OSTI]

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 ...

Burns, Daniel James

2004-01-01T23:59:59.000Z

18

Structural opportunities of ETFE (ethylene tetra fluoro ethylene)  

E-Print Network [OSTI]

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 ...

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

2005-01-01T23:59:59.000Z

19

Recovery and purification of ethylene  

SciTech Connect (OSTI)

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.

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

20

China ups ethylene capacity  

SciTech Connect (OSTI)

China is continuing with plans to build up its petrochemical sector. Following government approval the Dongying petrochemical complex in Shandong province is expected to get under way early next year. It will be based on a 140,000-m.t./year ethylene plant and will be the second-largest petrochemical complex in the province, after Qilu, about 50 km away. In addition, there are plans to expand capacities of existing ethylene plants. The Dongying complex will be owned by Shengli Oil Field (50%). Shandong province (35%), and the Dongying municipality (15%). Downstream capacities will comprise 80,000 m.t./year of linear low-density polyethylene (LLDPE) and 20,000 m.t./year of high-density PE. Butene-1 to be used as comonomer for LLDPE will be shipped from Qilu.

Alperowicz, N.; Wood, A.

1992-12-23T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

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

E-Print Network [OSTI]

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

Goodman, Wayne

22

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

SciTech Connect (OSTI)

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.

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

2010-01-01T23:59:59.000Z

23

Quantum-chemical investigation of the interaction of nitrogen and carbon monoxide molecules with the Lewis acid sites of aluminium oxide  

SciTech Connect (OSTI)

Within the framework of the cluster approximation, using covalent and ionic models of Lewis acid sites of aluminumoxide, their electronic structure, as well as that of complexes of nitrogen and carbon monoxide molecules with them, was calculated. It was shown that the Lewis acid sites, representing a truncated tetrahedron, exhibit stronger electron-acceptor properties than the corresponding sites in the form of a truncated octahedron. For both molecules, the linear form of adsorption is energetically more profitable than the T-shaped form. The results obtained by the nonempirical SCF MO LCAO method in the STO-3GF basis and by semiempirical methods in CNDO/2 and INDO approximatations, are qualitatively the same.

Senchenya, I.N.; Chuvylkin, N.D.; Kazanskii, V.B.

1986-11-01T23:59:59.000Z

24

ATP molecule ATP molecule  

E-Print Network [OSTI]

ATP molecule 9 ATP molecule 8 Autumn 2003 · Vol. 1 No. 2 · inSiDE inSiDE · Vol. 1 No. 2 · Autumn with adenosine 5`-triphosphate (ATP). ATP is the most important energy carrier in cellular metabolism, and each human being produces its own weight in ATP every day. The ATP molecule is shown in Figure 1, where

25

NREL Produces Ethylene via Photosynthesis (Fact Sheet)  

SciTech Connect (OSTI)

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

Not Available

2012-11-01T23:59:59.000Z

26

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

27

Poly(ethylene oxide) functionalization  

DOE Patents [OSTI]

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.

Pratt, Russell Clayton

2014-04-08T23:59:59.000Z

28

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

29

The oxidation of ethylene glycol by a salt-requiring bacterium  

E-Print Network [OSTI]

by bacteria. Calcium glycolate was isolated and identified as the end-product of the growth of Bacterium aceti (Acetobacter aceti) in a medium containing CaCo with ethylene glycol as the sole source of carbon. This was sub- sequently confirmed by Seifert...

Caskey, William Horton

1975-01-01T23:59:59.000Z

30

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

E-Print Network [OSTI]

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...

Skarmoutsos, Ioannis; Vetere, Valentina; Mossa, Stefano

2014-01-01T23:59:59.000Z

31

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

SciTech Connect (OSTI)

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.

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

1986-01-01T23:59:59.000Z

32

Ethylene plant commissioned at Corpus Christi  

SciTech Connect (OSTI)

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

Not Available

1984-01-01T23:59:59.000Z

33

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

E-Print Network [OSTI]

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

Gonzales, Margarita Andal

2013-01-01T23:59:59.000Z

34

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

SciTech Connect (OSTI)

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.

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

2004-10-01T23:59:59.000Z

35

Molecular analysis of ethylene signal transduction in tomato  

E-Print Network [OSTI]

The plant hormone ethylene plays an important role in plant growth, development, and physiology. One of the critical components of the ethylene signal transduction pathway, ctr1 (constitutive triple response), was identified using a particularly...

Adams-Phillips, Lori C.

2005-02-17T23:59:59.000Z

36

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

E-Print Network [OSTI]

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

Yildirim, Taner

37

A colorimetric method for the determination of ethylene evolved from plants  

E-Print Network [OSTI]

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...

Truchelut, George Burnett

1954-01-01T23:59:59.000Z

38

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

SciTech Connect (OSTI)

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

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

1990-02-01T23:59:59.000Z

39

Activated carbon to the rescue  

SciTech Connect (OSTI)

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

Sen, S. [Calgon Carbon Corp., Pittsburgh, PA (United States)

1996-03-01T23:59:59.000Z

40

Coking phenomena in the pyrolysis of ethylene dichloride into vinyl chloride  

SciTech Connect (OSTI)

Pyrolysis of ethylene dichloride (EDC) into vinyl chloride (VCM) which is the monomer for polyvinyl chloride, one of the most popular polymers, has been established commercially for quite a time. The process around 500{degrees}C has been proved to give VCM of high purity at very high selectivity about 99% and a reasonable conversion about 50%. However, the coking is a major problem in the long run, requiring decoking treatment every two months. The present paper describes features of carbons produced in the pyrolysis process. Coke of respective features was found in the reactor, the transfer line, the heat exchanger and the rapid quencher. Typical pyrolytic carbon, anisotropic coke produced in the liquid phase, isotropic carbon was produced on the reactor wall as low as 500{degrees}C. The mechanisms for their formation are discussed.

Sotowa, Chiaki; Korai, Yozo; Mochida, Isao [Kyushu Univ., Kasuga, Fukuoka (Japan)] [and others

1995-12-31T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Ethylene Market Activity in the 1990s  

E-Print Network [OSTI]

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...

Field, S.; McCormack, G.

42

Northern U. K. NGL, ethylene systems expand  

SciTech Connect (OSTI)

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

True, W.R.

1993-03-08T23:59:59.000Z

43

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

E-Print Network [OSTI]

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...

Ghanta, Madhav

2012-05-31T23:59:59.000Z

44

Iron/soot interaction in a laminar ethylene nonpremixed flame  

SciTech Connect (OSTI)

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.

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

1994-12-31T23:59:59.000Z

45

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...

46

Economical analysis of a new gas to ethylene technology  

E-Print Network [OSTI]

Ethylene is one of the most important petrochemical intermediates and feedstocks for many different products. The motivating force of this work is to compare a new process of ethylene production developed at Texas A&M University to the most common...

Abedi, Ali Abdulhamid

2007-09-17T23:59:59.000Z

47

Leak detection on an ethylene pipeline  

SciTech Connect (OSTI)

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.

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

1995-12-31T23:59:59.000Z

48

New system pinpoints leaks in ethylene pipeline  

SciTech Connect (OSTI)

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.

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

49

Molecules Frozen Stiff | EMSL  

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

Molecules Frozen Stiff Molecules Frozen Stiff Cryogenic NMR, theory help prove validity of photosynthesis model Scientists at EMSL are using cryogenic NMR equipment and theory to...

50

Plants having modified response to ethylene  

DOE Patents [OSTI]

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.

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

1998-10-20T23:59:59.000Z

51

OMV studies ethylene expansion in Germany  

SciTech Connect (OSTI)

OMV(Vienna) is evaluating plans to debottleneck its ethylene plant at Burghausen from 310,000 m.t./year to at least 400,000 m.t./year. Senior v.p. Jochen Berger says OMV is studying the limits to which the cracker can be expanded. {open_quotes}We`re pretty sure we can go to 400,000 m.t./year, but in two months we`ll have a better idea,{close_quotes} says Berger. The expansion will also depend on the future requirements of downstream operations at the Burghausen site, which include OMV plastics subsidiary PCD`s high-density polyethylene and polypropylene units and the vinyl chloride monomer and polyvinyl chloride units operated by Hoechst-Wacker joint venture Vinnolit.

NONE

1996-10-23T23:59:59.000Z

52

Phases of Atom-Molecule Vortex Matter  

SciTech Connect (OSTI)

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.

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

53

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

SciTech Connect (OSTI)

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.

McKimpson, Marvin G.

2006-04-06T23:59:59.000Z

54

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...

55

ICI's Approach to Total Energy Savings on Ethylene Plants  

E-Print Network [OSTI]

Recent technological developments have led to the creation of the rigorous simulation models for ethylene plants which can be run in concert with advanced, thermodynamic pinch procedures. This new approach enables operators to determine...

Hindmarsh, E.; Boland, D.

56

Reactivity of ethylene oxide in contact with contaminants  

E-Print Network [OSTI]

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...

Dinh, Linh Thi Thuy

2009-05-15T23:59:59.000Z

57

Infrared Spectra and Optical Constants of Astronomical Ices: II. Ethane and Ethylene  

E-Print Network [OSTI]

Infrared spectroscopic observations have established the presence of hydrocarbon ices on Pluto and other TNOs, but the abundances of such molecules cannot be deduced without accurate optical constants (n, k) and reference spectra. In this paper we present our recent measurements of near- and mid-infrared optical constants for ethane (C$_2$H$_6$) and ethylene (C$_2$H$_4$) in multiple ice phases and at multiple temperatures. As in our recent work on acetylene (C$_2$H$_2$), we also report new measurements of the index of refraction of each ice at 670 nm. Comparisons are made to earlier work where possible, and electronic versions of our new results are made available.

Hudson, R L; Moore, M H

2015-01-01T23:59:59.000Z

58

Nanodevices for generating power from molecules and batteryless sensing  

DOE Patents [OSTI]

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.

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

2014-07-15T23:59:59.000Z

59

E-Print Network 3.0 - aromatic hydrocarbons molecules Sample...  

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

Sciences and Ecology 35 2006-01-0201 Speciated Hydrocarbon Emissions from an Automotive Diesel Summary: to number of carbon atoms per hydrocarbon molecule (Figure 2). For each...

60

E-Print Network 3.0 - aromatic hydrocarbon molecules Sample Search...  

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

Sciences and Ecology 35 2006-01-0201 Speciated Hydrocarbon Emissions from an Automotive Diesel Summary: to number of carbon atoms per hydrocarbon molecule (Figure 2). For each...

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

Atoms, Molecules, Moles and Their Masses M. Kostic  

E-Print Network [OSTI]

Atoms, Molecules, Moles and Their Masses M. Kostic One Mole (or abbreviated particles (atoms for elements or molecules for compounds or atomic group, etc.), equal to the number of atoms in 12 grams of C12 carbon. Therefore, 1 mol (or mole) of any substance has the same number, i

Kostic, Milivoje M.

62

Liquid-solid phase diagrams of binary carbonates for lithium batteries  

SciTech Connect (OSTI)

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.

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

2000-05-01T23:59:59.000Z

63

E-Print Network 3.0 - acid-g-ethylene glycol prepared Sample...  

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

of interest in this research were com- plexing poly(methacrylic acid-g-ethylene glycol) hydro- gels... Part Synthesis of Poly(methacrylic acid-g-ethylene glycol) ... Source:...

64

Cathodic disbondment resistance with reactive ethylene terpolymer blends and composite coatings  

E-Print Network [OSTI]

ethylene methacrylic acid copolymers. These materials possess the desired toughness, impact resistance and adhesion for external pipeline

Love, Corey T.

2008-01-01T23:59:59.000Z

65

Accepted Manuscript Kinetic Modelling of High Density PolyEthylene Pyrolysis: Part 1. Comparison of  

E-Print Network [OSTI]

Accepted Manuscript Kinetic Modelling of High Density PolyEthylene Pyrolysis: Part 1. Comparison this article as: Gascoin N, Navarro-Rodriguez A, Gillard P, Mangeot A, Kinetic Modelling of High Density PolyEthylene.polymdegradstab.2012.05.008 #12;M ANUSCRIPT ACCEPTED ACCEPTED MANUSCRIPT 1 Kinetic Modelling of High Density PolyEthylene

Paris-Sud XI, Université de

66

Copolymerization Studies of Vinyl Chloride and Vinyl Acetate with Ethylene Using a Transition-Metal Catalyst  

E-Print Network [OSTI]

monomers with polar functionality (such as vinyl acetate (VA), vinyl chloride (VC), and acrylates).1 OverCopolymerization Studies of Vinyl Chloride and Vinyl Acetate with Ethylene Using a Transition-Flory constants were identical (0.81) for the ethylene homopolymerizations and the ethylene/vinyl chloride

Goddard III, William A.

67

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

68

High ethylene to ethane processes for oxidative coupling  

DOE Patents [OSTI]

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.

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

1991-01-01T23:59:59.000Z

69

RTE1, A Novel Regulator of Ethylene Receptor Function  

SciTech Connect (OSTI)

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.

Caren Chang (PI)

2013-02-05T23:59:59.000Z

70

High ethylene to ethane processes for oxidative coupling  

DOE Patents [OSTI]

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.

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

1991-12-17T23:59:59.000Z

71

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]

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...

Gonzalez, Carlos Francisco

1972-01-01T23:59:59.000Z

72

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

SciTech Connect (OSTI)

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%.

Sandi, G.

1998-12-09T23:59:59.000Z

73

[Transition metal mediated transformations of small molecules  

SciTech Connect (OSTI)

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.

Sen, A.

1992-01-01T23:59:59.000Z

74

Carbon nanotubes on a substrate  

DOE Patents [OSTI]

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

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

2002-03-26T23:59:59.000Z

75

CARBON-CARBON COMPOSITE ALLCOMP Carbon-Carbon Composite  

E-Print Network [OSTI]

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

Rollins, Andrew M.

76

Process for the production of ethylene and other hydrocarbons from coal  

DOE Patents [OSTI]

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.

Steinberg, M.; Fallon, P.

1984-02-15T23:59:59.000Z

77

Carbon dioxide-assisted fabrication of highly uniform submicron-sized colloidal carbon spheres via hydrothermal carbonization using soft drink  

SciTech Connect (OSTI)

An eco-friendly and economical method for the formation of uniform-sized carbon spheres by hydrothermal dehydration/condensation of a commercial carbonated beverage at 200 oC is reported. CO2 dissolved in the beverage accelerates the dehydration kinetics of the dissolved sugar molecules leading to production of homogeneous carbon spheres having a diameter less than 850 nm. In the presence of CO2, the rough surface of these carbon spheres likely results from continuous Ostwald ripening of constituent microscopic carbon-containing spheres that are formed by subsequent polymerization of intermediate HMF molecules.

Moon, Gun-Hee; Shin, Yongsoon; Arey, Bruce W.; Wang, Chong M.; Exarhos, Gregory J.; Choi, Wonyong; Liu, Jun

2012-10-01T23:59:59.000Z

78

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

SciTech Connect (OSTI)

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.

Not Available

2013-08-01T23:59:59.000Z

79

Optothermal Molecule Trap  

E-Print Network [OSTI]

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.

Duhr, S; Duhr, Stefan; Braun, Dieter

2006-01-01T23:59:59.000Z

80

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

DOE Patents [OSTI]

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.

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

2010-10-12T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

IGNITION TRANSIENT IN AN ETHYLENE FUELED SCRAMJET ENGINE WITH AIR THROTTLING.  

E-Print Network [OSTI]

??This research focuses on the modeling and simulation of ignition transient and subsequent combustion dynamics in an ethylene fueled supersonic combustion ramjet (scramjet) engine. The (more)

Li, Jian

2009-01-01T23:59:59.000Z

82

E-Print Network 3.0 - auxin-induced ethylene triggers Sample...  

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

Molecular Biology 53: 117131, 2003. 2003 Kluwer Academic Publishers. Printed in the Netherlands. Summary: that IAA levels are increased by exogenous ethylene treatment. The ex-...

83

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

SciTech Connect (OSTI)

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.

Guo, Hongwei (Beijing, CN); Ecker, Joseph R. (Carlsbad, CA)

2011-03-08T23:59:59.000Z

84

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

SciTech Connect (OSTI)

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.

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

2005-05-11T23:59:59.000Z

85

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]

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 ...

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

2003-01-01T23:59:59.000Z

86

Miscibility and degradability of poly(lactic acid)poly(ethylene oxide)/poly(ethylene glycol) blends  

SciTech Connect (OSTI)

Poly(lactic acid) [PLA] was melt blended with polyethylene(oxide) [PEG] and poly(ethylene glycol) [PEG] in different compositions to form blown films. It was determined that PLA was miscible with PEO in all compositions. Based on Gordon-Taylor equation, it was determined that the interactions between PLA and PEO is stronger than PEG. The addition of low molecular weight PEG improved the elongation and tear strength of the blends. Enzymatic degradation results shows that the weight loss of all the samples was more than 80% of the initial weight in 48 hours.

Yue, C.L.; Dave, V.; Gross, R.A.; McCarthy, S.P. [Univ. of Massachusetts, Lowell, MA (United States)

1995-12-01T23:59:59.000Z

87

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

DOE Patents [OSTI]

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.

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

2014-01-07T23:59:59.000Z

88

Ethylene receptor degradation controls the timing of ripening in tomato fruit  

E-Print Network [OSTI]

Ethylene receptor degradation controls the timing of ripening in tomato fruit Brian M. Kevany-mail hjklee@ifas.ufl.edu). Summary Fruit ripening in tomato requires the coordination of both developmental occurs through the 26S proteasome-dependent pathway. Ethylene exposure of immature fruits causes

Klee, Harry J.

89

Phase Structure and Properties of Poly(ethylene terephthalate)/High-Density Polyethylene Based on  

E-Print Network [OSTI]

Phase Structure and Properties of Poly(ethylene terephthalate)/High-Density Polyethylene Based.interscience.wiley.com). ABSTRACT: Blends based on recycled high density polyethylene (R-HDPE) and recycled poly(ethylene tereph- thalate) (R-PET) were made through reactive extrusion. The effects of maleated polyethylene (PE

90

Simulation of the effects of chain architecture on the sorption of ethylene in polyethylene  

E-Print Network [OSTI]

Simulation of the effects of chain architecture on the sorption of ethylene in polyethylene Brian J in amorphous linear low-density polyethylene of different chain architectures. The NERD united-atom force field investigated the effect of polyethylene chain length and branching on ethylene solubility. In this study, we

Faller, Roland

91

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

E-Print Network [OSTI]

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

Crisosto, Carlos H.

92

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

E-Print Network [OSTI]

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

Mitchell, Brian S.

93

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

SciTech Connect (OSTI)

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.

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

2010-02-02T23:59:59.000Z

94

E-Print Network 3.0 - alkanedithiol single-molecule junctions...  

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

electrodes to form a metal-molecule- metal junction. Alkanedithiols with 5, 6, 8 and 9 carbon atoms were... mode). As there are no clear multiples of the GA and GB, GC seems to...

95

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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New SubstationCleanCommunity2Workshops01ControllingControlsCool Magnetic Molecules

96

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) · Simple, somewhat inflexible · Do not price emissions directly Carbon taxes · Use market forces Council June 4, 2013 Portland, OR 1 CO2 Chemistry 1 molecule of CO 1 atom carbon1 molecule of CO2 = 1 atom

97

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

E-Print Network [OSTI]

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

Maruyama, Shigeo

98

Photonic Molecules and Spectral Engineering  

E-Print Network [OSTI]

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 ...

Boriskina, Svetlana V.

2010-01-01T23:59:59.000Z

99

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...

100

Numerical Analysis of Ethylene Injection in the Inlet of a Mach Six Scramjet.  

E-Print Network [OSTI]

??A scramjet inlet was designed for use on a small scale, Mach six, ethylene-fuelled vehicle. The inlet used strut-based cantilevered fuel injectors and a well-defined (more)

West, Jonathan Philip

2011-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Composite Polymer Electrolytes Based on Poly(ethylene glycol) and Hydrophobic Fumed Silica: Dynamic  

E-Print Network [OSTI]

utilized in electrolyte processing. Introduction Rechargeable lithium batteries employing solid elec electrolytes based on poly(ethylene oxide) (PEO).1 Solid polymer electrolytes can potentially eliminate battery* Department of Chemical Engineering, North Carolina State University, Raleigh, North Carolina 27695

Raghavan, Srinivasa

102

Cathodic disbondment resistance with reactive ethylene terpolymer blends and composite coatings  

E-Print Network [OSTI]

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

Love, Corey T.

2008-01-01T23:59:59.000Z

103

Carbon Capture  

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

Carbon Capture Pre-Combustion Post-Combustion CO2 Compression Systems Analysis Regulatory Drivers Program Plan Capture Handbook Carbon capture involves the separation of CO2 from...

104

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

SciTech Connect (OSTI)

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.

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

105

Single molecule tracking  

DOE Patents [OSTI]

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

Shera, E.B.

1987-10-07T23:59:59.000Z

106

Single molecule tracking  

DOE Patents [OSTI]

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

Shera, E. Brooks (Los Alamos, NM)

1988-01-01T23:59:59.000Z

107

Thread bonds in molecules  

E-Print Network [OSTI]

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

Ivlev, B

2015-01-01T23:59:59.000Z

108

Experimental Flash Pyrolysis of High Density1 PolyEthylene under Hybrid Propulsion Conditions2  

E-Print Network [OSTI]

1/25 Experimental Flash Pyrolysis of High Density1 PolyEthylene under Hybrid Propulsion Conditions2 Poly-Ethylene (HDPE) is studied6 up to 20 000 K.s-1 , under pressure up to 3.0 MPa and at temperature Pyrolysis (2013) 1-11" DOI : 10.1016/j.jaap.2013.02.014 #12;2/25 Keywords: Polyethylene; flash pyrolysis

Boyer, Edmond

109

Characterization of auxin-induced ethylene synthesis in four maturity genotypes of sorghum  

E-Print Network [OSTI]

CHARACTERIZATION OF AUXIN-INDUCED ETHYLENE SYNTHESIS IN FOUR MATURITY GENOTYPES OF SORGHUM A Thesis by Cecil Dennis Franklin Submitted to the Graduate College of Texas AkM University in partial fulfillment of the requirement for the degree...) oi' Department) ( ~ / g&~~ (Member) (Member ) December 1976 . i, f. ? 't~ ABSTRACT Characterization of Auxin-Induced Ethylene Synthesis In Four biaturity Genotypes of Sorghum (December 1976) Cecil Dennis Franklin, B. S. , McNeese State...

Franklin, Cecil Dennis

1976-01-01T23:59:59.000Z

110

Heats of Formation of Triplet Ethylene, Ethylidene, and Acetylene  

SciTech Connect (OSTI)

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.

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

2007-06-28T23:59:59.000Z

111

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]

ethylene diamine joining the chain structure of ethylene glycol, at a stoichiometric ratio of one diamine to one glycol, the replacement of an alcohol- alcohol hydrogen bond wi. th the stronger amine-alcohol hydrogen bond, would yield an exothermic...-alcohol and amine-amine hydrogen bonds and E another exothermic one (h negative) caused by the formation of amine- alcohol hydrogen bonds. This formation of amine-alcohol hydrogen bonds is symmetric with respect to composition, as the Finby-Helper equation...

Moore, Timothy Drake

1976-01-01T23:59:59.000Z

112

Polysulfones for conservation in the ethylene polymer industry. Progress report No. 7, October 1979-March 1980  

SciTech Connect (OSTI)

Ethylene-SO/sub 2/ polysulfone copolymers were prepared by /sup 60/Co gamma radiation, as well as by electron-beam radiation and by thermocatalysis, as a means of incorporating a polluting waste product material such as SO/sub 2/ into ethylene polymers for the purpose of conserving ethylene feedstock. Ethylene-SO/sub 2/ copolymer was pressure molded into discs which had a high degree of hardness as well as partial transparency, but were also very brittle. Differential Scanning Calorimetry (DSC) and Thermal Gravimetric Analysis (TGA) indicated peak decomposition at 350/sup 0/C. Long term heat aging tests showed stability to 175/sup 0/C and initiation of decomposition at 200/sup 0/C in air after 900 h. Decomposition became severe as the temperature was increased to 300/sup 0/C. The activation energies for decomposition were 57.3 and 56.8 kcal/mole for liquid-phase and gas-phase formed copolymers, respectively. The ethylene-SO/sub 2/ copolymer was modified by the incorporation of monomeric styrene, 2-vinyl pyridine, 4-vinyl pyridine, and N-vinyl pyrrolidine. A summary of characterization studies by INCO which includes solubility, infra-red and x-ray analysis of the ethylene-SO/sub 2/ copolymer and with additives are presented.

Steinberg, M.; Johnson, R.; Elling, D.; Bernstein, P.; Varker, A.E.

1980-06-01T23:59:59.000Z

113

Ethylene-Vinyl Acetate Potential Problems for Photovoltaic Packaging  

SciTech Connect (OSTI)

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.

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

2006-01-01T23:59:59.000Z

114

Ethylene-Vinyl Acetate Potential Problems for Photovoltaic Packaging: Preprint  

SciTech Connect (OSTI)

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.

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

2006-05-01T23:59:59.000Z

115

Carbon Smackdown: Carbon Capture  

SciTech Connect (OSTI)

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

Jeffrey Long

2010-07-12T23:59:59.000Z

116

Carbon Smackdown: Carbon Capture  

ScienceCinema (OSTI)

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

Jeffrey Long

2010-09-01T23:59:59.000Z

117

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

E-Print Network [OSTI]

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

Liu, Shilin

118

Controlling molecules with lasers and lasers with molecules  

E-Print Network [OSTI]

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 ...

Taylor, Jason Matthew, 1977-

2007-01-01T23:59:59.000Z

119

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

SciTech Connect (OSTI)

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.

Sen, A.

1992-10-01T23:59:59.000Z

120

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

SciTech Connect (OSTI)

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.

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

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

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

SciTech Connect (OSTI)

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.

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

1997-09-01T23:59:59.000Z

122

High Throughput Single Molecule Investigation of Transcription  

E-Print Network [OSTI]

Single Molecule Protein Folding in a Coaxial Mixer. Biophys.Kinetic Studies of Protein Folding. Anal. Chem. 76, 7169-Molecule Measurement of Protein Folding Kinetics . Science

Kim, Soohong

2012-01-01T23:59:59.000Z

123

Process for the production of ethylene and other hydrocarbons from coal  

SciTech Connect (OSTI)

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

Steinberg, M.; Fallon, P.

1982-02-16T23:59:59.000Z

124

Asia/Pacific ethylene capacity to more than double by 2000  

SciTech Connect (OSTI)

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

NONE

1995-05-08T23:59:59.000Z

125

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

E-Print Network [OSTI]

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.

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

2014-01-01T23:59:59.000Z

126

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

E-Print Network [OSTI]

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 ...

Cohen, Ellann

2008-01-01T23:59:59.000Z

127

Quasielastic electron scattering from methane, methane-d4, methane-d2, ethylene, and 2-methylpropane  

E-Print Network [OSTI]

Quasielastic electron scattering from methane, methane-d4, methane-d2, ethylene, and 2-methylpropane, ethylene, methane, and two isotopically substituted methanes, CH2D2 and CD4, at a momentum constituent. For example, Fig. 1 of Ref. 2 shows that, for gaseous methane, above a certain momentum transfer

Hitchcock, Adam P.

128

Post-transcriptional regulation of ethylene perception and signaling in Arabidopsis  

SciTech Connect (OSTI)

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.

Schaller, George Eric

2014-03-19T23:59:59.000Z

129

Process for the production of ethylene and other hydrocarbons from coal  

DOE Patents [OSTI]

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.

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

1986-01-01T23:59:59.000Z

130

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

E-Print Network [OSTI]

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...

Cowan, Elaine Nan

1979-01-01T23:59:59.000Z

131

Carbon-Fuelled Future  

SciTech Connect (OSTI)

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 authors 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.

Appel, Aaron M.

2014-09-12T23:59:59.000Z

132

Energy Carrier Transport In Surface-Modified Carbon Nanotubes  

E-Print Network [OSTI]

of organic molecules or inorganic nanoparticles, debundling of nanotubes by dispersing agents, and microwave irradiation. Because carbon nanotubes have unique carrier transport characteristics along a sheet of graphite in a cylindrical shape, the properties...

Ryu, Yeontack

2012-11-30T23:59:59.000Z

133

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

DOE Patents [OSTI]

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.

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

134

Building a Molecule Building Structures in Moe  

E-Print Network [OSTI]

14 Chapter 3 Building a Molecule #12;15 Building Structures in Moe Dorzolamide Exercise 1 #12;16 Open the Molecule Builder · Open the Molecule Builder panel using MOE | Edit | Build | Molecule, the chiral center will be either R or S, and one of the two will be highlighted in green. The green

Fischer, Wolfgang

135

Single molecule fluorescence (the basics)  

E-Print Network [OSTI]

"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

Ritort, Felix

136

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

SciTech Connect (OSTI)

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.

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

2012-02-13T23:59:59.000Z

137

Process for separating an ethylenically unsaturated hydrocarbon from a hydrocarbon mixture  

SciTech Connect (OSTI)

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.

vanEijl, A.T.

1986-06-24T23:59:59.000Z

138

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

E-Print Network [OSTI]

. 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

Martin, Alain

139

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

140

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

E-Print Network [OSTI]

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

Averbuch, Amir

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

Preparation and Properties of Poly(ethylene oxide) Star Nicholas A. Peppas, Ankush Argade, Saumitra Bhargava  

E-Print Network [OSTI]

(ethylene oxide) (PEO) star polymers were prepared by anionic polymerization of methacryloyl chloride and glyceryl) of molecular weight 400. The final product was washed with methylene chloride and analyzed with infrared with sequential polymerization of multifunctional monomers from styrene and divinylbenzene (DVB).1 First

Peppas, Nicholas A.

142

A Study of Cu(I)-Ethylene Complexation for OlefinParaffin Separation  

E-Print Network [OSTI]

. An alternative olefin­paraffin separation process with lower energy consumption would significantly decrease oper. Such an absorption method eliminates the need for refrigeration, thus increasing energy efficiency and reducing serves as a key process in the production of many industrial chemicals such as ethylene (95 million tons

Eldridge, R. Bruce

143

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

E-Print Network [OSTI]

by their very low thermal conductivity. These fluids have almost two orders of magnitude lower thermal, a significant amount of data has been gathered on the thermal conductivity of nanofluids. Typical materials usedEnhanced thermal conductivity and viscosity of copper nanoparticles in ethylene glycol nanofluid J

144

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

E-Print Network [OSTI]

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

Maruyama, Shigeo

145

Structure and dynamics of C60 molecules on Au(111)  

SciTech Connect (OSTI)

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 , 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.

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

146

Carbon Nanotubes.  

E-Print Network [OSTI]

?? Carbon nanotubes have extraordinary mechanical, electrical, thermal andoptical properties. They are harder than diamond yet exible, have betterelectrical conductor than copper, but can also (more)

Fredriksson, Tore

2014-01-01T23:59:59.000Z

147

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

SciTech Connect (OSTI)

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.

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

148

Adsorption and hydrogenation of ethylene, 1-hexene, and benzene and CO adsorption on Pt/Al/sub 2/O/sub 3/ and Pt-Sn/Al/sub 2/O/sub 3/ catalysts  

SciTech Connect (OSTI)

Adsorption and hydrogenation of ethylene, 1-hexene, and benzene, and carbon monoxide adsorption on alumina-supported Pt and Pt-Sn catalysts were studied. Gravimetric experiments and infrared (IR) absorption spectroscopy combined with chemisorption measurements were used for this purpose. Additionally fresh and coked catalysts were characterized by the IR spectra of CO and chemisorption data. Added tin causes a slight increase in benzene adsorption and a distinct decrease in ethylene and 1-hexene uptakes, whereas the hydrogenation activity is inhibited. Adsorption and catalytic data with benzene can be explained by a model of flat adsorption on Pt/Al/sub 2/O/sub 3/ and tilted adsorption on Pt-Sn/Al/sub 2/O/sub 3/ and are consistent with electronic modification of platinum by tin. Electronic interaction between platinum and tin is also indicated by the IR data. The most active sites for hydrocarbon decomposition on the platinum surface are the same as those on which carbon monoxide is multiply bonded. Deposited coke and tin block the same active sites on the platinum surface.

Palazov, A.; Bonev, C.; Shopov, D.; Lietz, G.; Sarkany, A.; Voelter, J.

1987-02-01T23:59:59.000Z

149

Total Organic Carbon Analyzer | EMSL  

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

Total Organic Carbon Analyzer Total Organic Carbon Analyzer The carbon analyzer is used to analyze total carbon (TC), inorganic carbon (IC), total organic carbon (TOC), purgeable...

150

Stepwise Quenching of Exciton Fluorescence in Carbon Nanotubes  

E-Print Network [OSTI]

1 Stepwise Quenching of Exciton Fluorescence in Carbon Nanotubes by Single Molecule Reactions with individual single-walled carbon nanotubes are observed, and luminescence quenching analysis reveals the diffusional range of excitons in semiconducting nanotubes. *To whom correspondence should be addressed

Paris-Sud XI, Université de

151

Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation  

E-Print Network [OSTI]

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

Brenner, Donald W.

152

Reactive scattering of small molecules  

SciTech Connect (OSTI)

In an ultrahigh vacuum system equipped with an effusive molecular beam source, several molecular beam relaxation spectroscopy studies were performed on a stepped Pt(111) single crystal. Carbon monoxide adsorption/desorption was studied as a function of sulfur coverage. Sulfur adsorption at step sites was found to slightly decrease the sticking probability but strongly decrease the carbon monoxide interaction with the surface. The kinetics of desorption were characteristic of the tightest binding state accessible to the adsorbed carbon monoxide. Hydrogen atom recombination and desorption was studied following formaldehyde decomposition. The reaction was second order and the desorption proceeded by two pathways: one associated with the step sites and the other with the terraces. The activation energies for desorption were 25 and 19 kcal/mol for the steps and terraces, respectively and the pre-exponential factors were of the order 0.01 cm/sup 2//s. Adsorbed sulfur and high carbon monoxide surface coverages blocked the high energy hydrogen recombination pathway. The kinetics and mechanism of the hydrogen-oxygen reaction was studied in the temperature range 400 to 1000 K. The reaction proceeded by the sequential addition of hydrogen to oxygen, first to form hydroxyls and then to form water.

Gdowski, G.E.

1985-01-01T23:59:59.000Z

153

Does water dope carbon nanotubes?  

SciTech Connect (OSTI)

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

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

154

Thermodynamics of Water Entry in Hydrophobic Channels of Carbon Nanotubes  

E-Print Network [OSTI]

Experiments and computer simulations demonstrate that water spontaneously fills the hydrophobic cavity of a carbon nanotube. To gain a quantitative thermody- namic understanding of this phenomenon, we use the recently developed Two Phase Thermodynamics (2PT) method to compute translational and rotational entropies of confined water molecules inside single-walled carbon nanotubes and show that the increase in energy of a water molecule inside the nanotube is compensated by the gain in its rotational entropy. The confined water is in equilibrium with the bulk wa- ter and the Helmholtz free energy per water molecule of confined water is the same as that in the bulk within the accuracy of the simulation results. A comparison of translational and rotational spectra of water molecules confined in carbon nanotubes with that of bulk water shows significant shifts in the positions of the spectral peaks that are directly related to the tube radius.

Hemant Kumar; Biswaroop Mukherjee; Shiang-Tai Lin Chandan Dasgupta; A. K. Sood; Prabal K. Maiti

2011-08-19T23:59:59.000Z

155

Association Behavior of Biotinylated and Non-Biotinylated PolyEthylene Oxide-b-Poly(2-(Diethylamino)Ethyl Methacrylate)  

E-Print Network [OSTI]

Biotinylated and non-biotinylated copolymers of ethylene oxide (EO) and 2-(diethylamino)ethyl methacrylate (DEAEMA) were synthesized by the atom transfer radical polymerization technique (ATRP). The chemical compositions ...

Tan, J. F.

156

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

SciTech Connect (OSTI)

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

Yousif, M.H.

1996-12-31T23:59:59.000Z

157

Carbon Fiber  

ScienceCinema (OSTI)

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.

McGetrick, Lee

2014-07-23T23:59:59.000Z

158

Carbon Fiber  

SciTech Connect (OSTI)

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.

McGetrick, Lee

2014-04-17T23:59:59.000Z

159

Carbon Sequestration  

SciTech Connect (OSTI)

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.

None

2013-05-06T23:59:59.000Z

160

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

SciTech Connect (OSTI)

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.

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

1987-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

A study of the distribution and production rates of ethylene within the cotton plant  

E-Print Network [OSTI]

or non-existence of a physio- logical role. The purpose of' this study was to determine the actual rates of production and internal concentration of ethylene in vegetative cotton tissue using three different . echniques. REVIEW OF LITERATURE... that ilium-inating gas caused epinastic bending of leaf petioles. Usi. ng plants sensizive to ethyjene, such as potato, tomato, ancl mimosa, this bio- assay was used o detect gas leaks. gine:e the bioassay did not show complete specificity for ethy] en...

McAfee, James A

1970-01-01T23:59:59.000Z

162

Copper(I) and copper(II) complexes of an ethylene cross-bridged cyclam  

E-Print Network [OSTI]

Copper(I) and copper(II) complexes of an ethylene cross-bridged cyclam Timothy J. Hubin,a Nathaniel and crystal structures of (4,11-dibenzyl- 1,4,8,11-tetraazabicyclo[6.6.2]hexadecane- 4 N)copper(I) hexa)- copper(II) bis(hexa¯uorophosphate), [Cu(C2H3N)(C26H38- N4)](PF6)2, are described. The CuI ion

Hubin, Tim

163

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

E-Print Network [OSTI]

the ethylene signal. To complement the study, expression analyses of defense response genes in this interaction were studied by real time RTPCR of Phytophthora-infected and mock- infected roots. The genes analyzed were PAL, CHS, IFR, ACC oxidase, GST...........................................................112 22 In silica analysis of PAL gene expression........................................................114 23 In silica analysis of CHS gene expression .......................................................117 24 In silica analysis of IFR...

Pedro, Uribe Mejia

2004-11-15T23:59:59.000Z

164

THREE-CLUSTER NUCLEAR MOLECULES  

E-Print Network [OSTI]

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

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

2000-01-01T23:59:59.000Z

165

The regulation of ethylene biosynthesis and its apparent mode of action in germinating seeds of Latuca sativa, var. Premier Great Lakes  

E-Print Network [OSTI]

Hormonal Regulation. Respiration and Oxidative Metabolism ~ Ethylene Biosynthesis and Germination. Summary. HYPOTHESIS AND OBJECTIVES MATERIALS AND METHODS Germination. Test Solutions Page V11 1 1X Xi i 13 21 28 31 35 Ethylene.../seed/hr) and germination percentages for seeds incubated at 22+-1 C or 32+1 C in the indicated solutions. Page Germination percentages for intact seeds incubated for )6 hours in the presence or absence of light at 32t1 C. Ethylene production rates (pl...

Dunlap, James Randolph

1975-01-01T23:59:59.000Z

166

Low Carbon Fuel Standards  

E-Print Network [OSTI]

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

Sperling, Dan; Yeh, Sonia

2009-01-01T23:59:59.000Z

167

Carbon supercapacitors  

SciTech Connect (OSTI)

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).

Delnick, F.M.

1993-11-01T23:59:59.000Z

168

Carbon microtubes  

DOE Patents [OSTI]

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.

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

169

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]

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

Huang, Wenyu

2009-01-01T23:59:59.000Z

170

Multiscale Modeling with Carbon Nanotubes  

SciTech Connect (OSTI)

Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation computer modeling of such materials can range from equilibrium and nonequilibrium Quantum Mechanics, to force-field-based Molecular Mechanics and kinetic Monte Carlo, to Mesoscale simulation of evolving morphology, to Finite-Element computation of physical properties. This brief review illustrates some of the above modeling techniques through a number of recent applications with carbon nanotubes: nano electromechanical sensors (NEMS), chemical sensors, metal-nanotube contacts, and polymer-nanotube composites.

Maiti, A

2006-02-21T23:59:59.000Z

171

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,...

172

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

SciTech Connect (OSTI)

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)

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

173

Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters  

SciTech Connect (OSTI)

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

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

174

NMR studies of oriented molecules  

SciTech Connect (OSTI)

Deuterium and proton magnetic resonance are used in experiments on a number of compounds which either form liquid crystal mesophases themselves or are dissolved in a liquid crystal solvent. Proton multiple quantum NMR is used to simplify complicated spectra. The theory of nonselective multiple quantum NMR is briefly reviewed. Benzene dissolved in a liquid crystal are used to demonstrate several outcomes of the theory. Experimental studies include proton and deuterium single quantum (..delta..M = +-1) and proton multiple quantum spectra of several molecules which contain the biphenyl moiety. 4-Cyano-4'-n-pentyl-d/sub 11/-biphenyl (5CB-d/sub 11/) is studied as a pure compound in the nematic phase. The obtained chain order parameters and dipolar couplings agree closely with previous results. Models for the effective symmetry of the biphenyl group in 5CB-d/sub 11/ are tested against the experimental spectra. The dihedral angle, defined by the planes containing the rings of the biphenyl group, is found to be 30 +- 2/sup 0/ for 5DB-d/sub 11/. Experiments are also described for 4,4'-d/sub 2/-biphenyl, 4,4' - dibromo-biphenyl, and unsubstituted biphenyl.

Sinton, S.W.

1981-11-01T23:59:59.000Z

175

The effect of ethylene on the levels of leaf protease and growth in cotton  

E-Print Network [OSTI]

THE EFFECT OF EThrl, ENE ON THE EEVEES OF I~" F PRC. ='-SE A%3 GROWTH ZM COTTON, A Thesis by James Rudolph Muham Submitted to the Gradu=-te CoL~ege of Texas &&N Universi y in partial fulfillment of the requiremen-' for the degree of NESTER... I9+ ABSTRACT The Effect of Ethylene on Levels of Loaf Frotease and Gz'owth in Cotton (August 1979) James Rudolph Idahan, A. S. Western Oklahoma State College; BUS. , Southwestern Oklahoma State University Chaizvnan of Adivsory Committee: Dr...

Mahan, James Rudolph

1979-01-01T23:59:59.000Z

176

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

E-Print Network [OSTI]

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...

Beck, Donald Douglas

1980-01-01T23:59:59.000Z

177

Carbon Additionality: Discussion Paper  

E-Print Network [OSTI]

ahead, and identifying the carbon pools and other green house gas emissions sources and savings coveredCarbon Additionality: A review Discussion Paper Gregory Valatin November 2009 Forest Research. Voluntary Carbon Standards American Carbon Registry Forest Carbon Project Standard (ACRFCPS) 27 Carbon

178

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

E-Print Network [OSTI]

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...

Powell, Gordon Lee

1993-01-01T23:59:59.000Z

179

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

DOE Patents [OSTI]

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.

Salafsky, Joshua S.; Eisenthal, Kenneth B.

2005-10-11T23:59:59.000Z

180

Electron Correlation Effects in Molecules Krishnan Raghavachari*  

E-Print Network [OSTI]

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

Anderson, James B.

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

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

182

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

E-Print Network [OSTI]

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 ...

Hart, Anastasios John, 1979-

2006-01-01T23:59:59.000Z

183

Carbon Trading, Carbon Taxes and Social Discounting  

E-Print Network [OSTI]

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

Weiblen, George D

184

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]

and conjugated ACC contents from detached as well as intact plant organs tested the role of roots in rhythmic ethylene synthesis. Variation in ethylene synthesis in the phytochrome B mutant and its wild-type cultivar under different light regimes suggested...

Gohil, Hemantkumar Laxmansinh

2002-01-01T23:59:59.000Z

185

Reaction mechanism studies of unsaturated molecules using photofragment translational spectroscopy  

SciTech Connect (OSTI)

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.

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

186

Carbon Nanotubes as Electrodes for Dielectrophoresis of DNA  

E-Print Network [OSTI]

Dielectrophoresis can potentially be used as an efficient trapping tool in the fabrication of molecular devices. For nanoscale objects, however, the Brownian motion poses a challenge. We show that the use of carbon nanotube electrodes makes it possible to apply relatively low trapping voltages and still achieve high enough field gradients for trapping nanoscale objects, e.g., single molecules. We compare the efficiency and other characteristics of dielectrophoresis between carbon nanotube electrodes and lithographically fabricated metallic electrodes, in the case of trapping nanoscale DNA molecules. The results are analyzed using finite element method simulations and reveal information about the frequency dependent polarizability of DNA.

Sampo Tuukkanen; J. Jussi Toppari; Anton Kuzyk; Lasse Hirviniemi; Vesa P. Hytonen; Teemu Ihalainen; Paivi Torma

2006-07-18T23:59:59.000Z

187

Single Molecule Spectroscopy of Electron Transfer  

SciTech Connect (OSTI)

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.

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

2009-10-20T23:59:59.000Z

188

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

189

Carbon-Optimal and Carbon-Neutral Supply Chains  

E-Print Network [OSTI]

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

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

2011-01-01T23:59:59.000Z

190

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

E-Print Network [OSTI]

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.

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

2014-01-01T23:59:59.000Z

191

High-order harmonic spectroscopy for molecular imaging of polyatomic molecules  

E-Print Network [OSTI]

High-order harmonic generation is a powerful and sensitive tool for probing atomic and molecular structures, combining in the same measurement an unprecedented attosecond temporal resolution with a high spatial resolution, of the order of the angstrom. Imaging of the outermost molecular orbital by high-order harmonic generation has been limited for a long time to very simple molecules, like nitrogen. Recently we demonstrated a technique that overcame several of the issues that have prevented the extension of molecular orbital tomography to more complex species, showing that molecular imaging can be applied to a triatomic molecule like carbon dioxide. Here we report on the application of such technique to nitrous oxide (N2O) and acetylene (C2H2). This result represents a first step towards the imaging of fragile compounds, a category which includes most of the fundamental biological molecules.

Negro, M; Faccial, D; De Silvestri, S; Vozzi, C; Stagira, S

2014-01-01T23:59:59.000Z

192

Sisyphus Cooling of Electrically Trapped Polyatomic Molecules  

E-Print Network [OSTI]

The rich internal structure and long-range dipole-dipole interactions establish polar molecules as unique instruments for quantum-controlled applications and fundamental investigations. Their potential fully unfolds at ultracold temperatures, where a plethora of effects is predicted in many-body physics, quantum information science, ultracold chemistry, and physics beyond the standard model. These objectives have inspired the development of a wide range of methods to produce cold molecular ensembles. However, cooling polyatomic molecules to ultracold temperatures has until now seemed intractable. Here we report on the experimental realization of opto-electrical cooling, a paradigm-changing cooling and accumulation method for polar molecules. Its key attribute is the removal of a large fraction of a molecule's kinetic energy in each step of the cooling cycle via a Sisyphus effect, allowing cooling with only few dissipative decay processes. We demonstrate its potential by reducing the temperature of about 10^6 ...

Zeppenfeld, M; Glckner, R; Prehn, A; Mielenz, M; Sommer, C; van Buuren, L D; Motsch, M; Rempe, G

2012-01-01T23:59:59.000Z

193

Recovery of tritium from tritiated molecules  

DOE Patents [OSTI]

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.

Swansiger, W.A.

1984-10-17T23:59:59.000Z

194

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

E-Print Network [OSTI]

'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...

Campbell, Terry Ray

1994-01-01T23:59:59.000Z

195

Crystallization in the Thin and Ultrathin Films of Poly(ethylene-vinyl acetate) and Linear Low-Density Polyethylene  

E-Print Network [OSTI]

-Density Polyethylene Y. Wang, S. Ge, M. Rafailovich,*, J. Sokolov, Y. Zou, H. Ade, J. Lu1 ning,§ A. Lustiger, and G(ethylene-vinyl acetate) and linear low-density polyethylene (LLDPE) films spun-cast from the polymer/toluene solutions spherulite to sheaflike ag- gregates in polyethylene thin films at a critical thickness of 400 nm. Scho

196

Sol-gel method for encapsulating molecules  

DOE Patents [OSTI]

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.

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

197

Cathodic disbondment resistance with reactive ethylene terpolymer blends and composite coatings  

E-Print Network [OSTI]

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

Love, Corey T.

2008-01-01T23:59:59.000Z

198

Photophysics of carbon nanotubes  

E-Print Network [OSTI]

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 ...

Samsonidze, Georgii G

2007-01-01T23:59:59.000Z

199

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

200

Chapter 10: Impacts of natural disturbance on soil carbon dynamics in forest ecosystems.  

E-Print Network [OSTI]

Chapter 10: Impacts of natural disturbance on soil carbon dynamics in forest ecosystems. Steven T University, Flagstaff, AZ INTRODUCTION Forest soils are entities within themselves, self- organized and highly resilient over time. The transfer of energy bound in carbon (C) molecules drives the organization

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

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

SciTech Connect (OSTI)

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.

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

1986-06-01T23:59:59.000Z

202

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

SciTech Connect (OSTI)

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.

Buckalew, W.H.

1986-04-01T23:59:59.000Z

203

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

DOE Patents [OSTI]

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.

Schrodi, Yann (Agoura Hills, CA)

2011-11-29T23:59:59.000Z

204

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

DOE Patents [OSTI]

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.

Schrodi, Yann

2013-07-09T23:59:59.000Z

205

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

SciTech Connect (OSTI)

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.

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

206

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

SciTech Connect (OSTI)

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.

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, Andr; Glzhuser, 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); Muoz 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 fr Physikalische Chemie, Karlsruhe Institute of Technology, 76131 Karlsruhe (Germany); Lhneysen, 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 fr Festkrperphysik, Karlsruhe Institute of Technology, 76021 Karlsruhe (Germany); and others

2014-03-10T23:59:59.000Z

207

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

SciTech Connect (OSTI)

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.

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

208

Method of making carbon-carbon composites  

DOE Patents [OSTI]

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.

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

1993-01-01T23:59:59.000Z

209

Toward Zero Carbon Energy Production Toward Zero Carbon Energy Production  

E-Print Network [OSTI]

#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

Narasayya, Vivek

210

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

211

Low Carbon Fuel Standards  

E-Print Network [OSTI]

in 1990. These many alternative-fuel initiatives failed tolow-cost, low-carbon alternative fuels would thrive. Theto introduce low-carbon alternative fuels. Former Federal

Sperling, Dan; Yeh, Sonia

2009-01-01T23:59:59.000Z

212

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...

213

Single-Molecule Dynamics Reveals Cooperative Binding-Folding...  

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

Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition . Single-Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition . Abstract: The...

214

Sandia National Laboratories: Direct Measurement of Key Molecule...  

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

Modeling & SimulationDirect Measurement of Key Molecule Will Increase Accuracy of Combustion Models Direct Measurement of Key Molecule Will Increase Accuracy of Combustion...

215

Carbon Capture (Carbon Cycle 2.0)  

ScienceCinema (OSTI)

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/

Smit, Berend

2011-06-08T23:59:59.000Z

216

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

DOE Patents [OSTI]

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.

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

2007-11-06T23:59:59.000Z

217

Covalently Binding the Photosystem I to Carbon Nanotubes  

E-Print Network [OSTI]

We present a chemical route to covalently couple the photosystem I (PS I) to carbon nanotubes (CNTs). Small linker molecules are used to connect the PS I to the CNTs. Hybrid systems, consisting of CNTs and the PS I, promise new photo-induced transport phenomena due to the outstanding optoelectronic properties of the robust cyanobacteria membrane protein PS I.

S. Kaniber; L. Frolov; F. C. Simmel; A. W. Holleitner; C. Carmeli; I. Carmeli

2009-02-25T23:59:59.000Z

218

Previous Article: Carbon Nanotubes Coated in Bee Venom  

E-Print Network [OSTI]

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

Ruina, Andy L.

219

Composite carbon foam electrode  

DOE Patents [OSTI]

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.

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

1997-01-01T23:59:59.000Z

220

Composite carbon foam electrode  

DOE Patents [OSTI]

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.

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

1997-05-06T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Environment Assisted Quantum Transport in Organic Molecules  

E-Print Network [OSTI]

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...

Vattay, Gabor

2015-01-01T23:59:59.000Z

222

Opto-Electrical Cooling of Polar Molecules  

E-Print Network [OSTI]

We present an opto-electrical cooling scheme for polar molecules based on a Sisyphus-type cooling cycle in suitably tailored electric trapping fields. Dissipation is provided by spontaneous vibrational decay in a closed level scheme found in symmetric-top rotors comprising six low-field-seeking rovibrational states. A generic trap design is presented. Suitable molecules are identified with vibrational decay rates on the order of 100Hz. A simulation of the cooling process shows that the molecular temperature can be reduced from 1K to 1mK in approximately 10s. The molecules remain electrically trapped during this time, indicating that the ultracold regime can be reached in an experimentally feasible scheme.

M. Zeppenfeld; M. Motsch; P. W. H. Pinkse; G. Rempe

2009-10-07T23:59:59.000Z

223

Closeout of Advanced Boron and Metal Loaded High Porosity Carbons.  

SciTech Connect (OSTI)

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.

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

2011-05-01T23:59:59.000Z

224

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

225

Mesoporous carbon materials  

DOE Patents [OSTI]

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.

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

2014-09-09T23:59:59.000Z

226

Rensselaer Experiment Finds Water Molecules Are Always H2O  

E-Print Network [OSTI]

the scattering of neutrons from light water molecules (H2O) and heavy water molecules (D2O). Researchers foundRensselaer Experiment Finds Water Molecules Are Always H2O Researchers at Rensselaer that found water molecules are made up of two hydrogen atoms and one oxygen atom, even during very short time

Danon, Yaron

227

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

228

Ultrafast Nonlinear Spectroscopy of Semiconducting Carbon Nanotubes  

E-Print Network [OSTI]

metallic nanotubes . . . . . . . . . . . . . . . . . Carbon2 Carbon Nanotubes Physical and ElectronicStructure of Carbon Nanotubes . . . . . . . . . .

Graham, Matthew Werden

2010-01-01T23:59:59.000Z

229

Ultrafast Nonlinear Spectroscopy of Semiconducting Carbon Nanotubes  

E-Print Network [OSTI]

2 Carbon Nanotubes Physical andElectronic Structure of Carbon Nanotubes . . . . . . . . . .Photophysics in Semiconducting Carbon Nanotubes . . . . .

Graham, Matthew Werden

2010-01-01T23:59:59.000Z

230

Thermodynamics for single-molecule stretching experiments  

E-Print Network [OSTI]

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

Kjelstrup, Signe

231

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

232

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

SciTech Connect (OSTI)

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.

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

2012-06-01T23:59:59.000Z

233

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)

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.

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

234

Carbon fuel cells with carbon corrosion suppression  

DOE Patents [OSTI]

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.

Cooper, John F. (Oakland, CA)

2012-04-10T23:59:59.000Z

235

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

SciTech Connect (OSTI)

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.

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

1996-02-01T23:59:59.000Z

236

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

SciTech Connect (OSTI)

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.

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

2006-05-01T23:59:59.000Z

237

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

SciTech Connect (OSTI)

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)

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

238

Soot suppression by ferrocene in laminar ethylene/air nonpremixed flames  

SciTech Connect (OSTI)

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.

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

239

A simple and clean source of low-energy atomic carbon  

SciTech Connect (OSTI)

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.

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

240

Density-Functional-Theory Calculations of Matter in Strong Magnetic Fields: I. Atoms and Molecules  

E-Print Network [OSTI]

We present new ab initio calculations of the electronic structure of various atoms and molecules in strong magnetic fields ranging from B=10^12 G to 2x10^15 G, appropriate for radio pulsars and magnetars. For these field strengths, the magnetic forces on the electrons dominate over the Coulomb forces, and to a good approximation the electrons are confined to the ground Landau level. Our calculations are based on the density functional theory, and use a local magnetic exchange-correlation function which is tested to be reliable in the strong field regime. Numerical results of the ground-state energies are given for H_N (up to N=10), He_N (up to N=8), C_N (up to N=5) and Fe_N (up to N=3), as well as for various ionized atoms. Fitting formulae for the B-dependence of the energies are also given. In general, as N increases, the binding energy per atom in a molecule, |E_N|/N, increases and approaches a constant value. For all the field strengths considered in this paper, hydrogen, helium, and carbon molecules are found to be bound relative to individual atoms (although for B less than a few x 10^12 G, the relative binding between C and C_2 is small). Iron molecules are not bound at B<10^13 G, but become energetically more favorable than individual atoms at larger field strengths.

Zach Medin; Dong Lai

2007-01-05T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

Soil metagenomics and carbon cycling  

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

Soil metagenomics and carbon cycling Soil metagenomics and carbon cycling Establishing a foundational understanding of the microbial and ecosystem factors that control carbon...

242

Carbon Nanostructure-Based Sensors  

E-Print Network [OSTI]

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

Sarkar, Tapan

2012-01-01T23:59:59.000Z

243

The Australian terrestrial carbon budget  

E-Print Network [OSTI]

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. ,

2013-01-01T23:59:59.000Z

244

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...

245

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

SciTech Connect (OSTI)

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

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

2012-01-01T23:59:59.000Z

246

Studies Relevent to Catalytic Activation Co & other small Molecules  

SciTech Connect (OSTI)

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.

Ford, Peter C

2005-02-22T23:59:59.000Z

247

Quantum Error Correction with magnetic molecules  

E-Print Network [OSTI]

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.

Jos J. Baldov; Salvador Cardona-Serra; Juan M. Clemente-Juan; Luis Escalera-Moreno; Alejandro Gaita-Ario; Guillermo Mnguez Espallargas

2014-08-22T23:59:59.000Z

248

Langmuir Films of Polycyclic Molecules on Mercury  

SciTech Connect (OSTI)

Langmuir films (LFs) of biphenyl and anthracene derivatives on the surface of liquid mercury were studied by surface-specific X-ray and surface tension measurements. Phases of lying-down, side-lying and standing-up molecules were found, some of which exhibit long-range lateral order. The molecular symmetry and the position and nature of the side-, end-, and headgroups are shown to dominate the structural evolution of the LFs with surface coverage.

Tamam,L.; Kraack, H.; Sloutskin, E.; Ocko, B.; Pershan, P.; Deutsch, M.

2007-01-01T23:59:59.000Z

249

Method of making carbon-carbon composites  

DOE Patents [OSTI]

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

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

1991-01-01T23:59:59.000Z

250

Carbon nanotube nanoelectrode arrays  

DOE Patents [OSTI]

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

Ren, Zhifeng (Newton, MA); Lin, Yuehe (Richland, WA); Yantasee, Wassana (Richland, WA); Liu, Guodong (Fargo, ND); Lu, Fang (Burlingame, CA); Tu, Yi (Camarillo, CA)

2008-11-18T23:59:59.000Z

251

Carbon Monoxide Safety Tips  

E-Print Network [OSTI]

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....

Shaw, Bryan W.; Garcia, Monica L.

1999-07-26T23:59:59.000Z

252

Metallic Carbon Nanotubes and Ag Nanocrystals  

SciTech Connect (OSTI)

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.

Brus, Louis E

2014-03-04T23:59:59.000Z

253

ESM 271 Carbon Footprints and Carbon Accounting Instructor: Sangwon Suh  

E-Print Network [OSTI]

1 ESM 271 Carbon Footprints and Carbon Accounting Instructor: Sangwon Suh Bren hall 3422, suh Week 1: Introduction to carbon footprint and carbon account - Background: carbon awareness, major out a report or a web site about carbon footprint results of a product or of a company. Write a two

California at Santa Barbara, University of

254

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/)

255

Intro to Carbon Sequestration  

ScienceCinema (OSTI)

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.

None

2010-01-08T23:59:59.000Z

256

Intro to Carbon Sequestration  

SciTech Connect (OSTI)

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.

2008-03-06T23:59:59.000Z

257

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

E-Print Network [OSTI]

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...

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

2014-01-01T23:59:59.000Z

258

Room temperature ferromagnetism in a phthalocyanine based carbon material  

SciTech Connect (OSTI)

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.

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

259

Modeling and analysis of single-molecule experiments  

E-Print Network [OSTI]

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 ...

Witkoskie, James B

2005-01-01T23:59:59.000Z

260

Electrochemical deposition of small molecules for electronic materials  

E-Print Network [OSTI]

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 films morphology and continuity influence the performance of the ...

Allwright, Emily Marieke

2014-11-27T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

Nanofluidic system for single molecule manipulation and analysis  

E-Print Network [OSTI]

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. ...

Sen, Yi-Heng

2008-01-01T23:59:59.000Z

262

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

263

Intermittent Single-Molecule Interfacial Electron Transfer Dynamics...  

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

confocal fluorescence microscopy. Fluorescence intensity trajectories of individual dye molecules adsorbed on a semiconductor NP surface showed fluorescence fluctuations and...

264

Formation of Carbon Dwarfs  

E-Print Network [OSTI]

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.

Charles L. Steinhardt; Dimitar D. Sasselov

2012-01-27T23:59:59.000Z

265

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

E-Print Network [OSTI]

), 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

Zhao, Tianshou

266

Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments  

E-Print Network [OSTI]

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

Guidoni, Leonardo

267

Photostability of dye molecules trapped in solid matrices  

E-Print Network [OSTI]

Photostability of dye molecules trapped in solid matrices Arnaud Dubois, Michael Canva, Alain Brun, Fre´de´ric Chaput, and Jean-Pierre Boilot The photostability of dye molecules trapped in transparent that different trapped dye molecules can absorb on average before they are bleached. Dyes such as Perylene Red

Boyer, Edmond

268

High-Order Harmonic Generation of Heteronuclear Diatomic Molecules  

E-Print Network [OSTI]

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

Chu, Shih-I

269

Carbon in detonations  

SciTech Connect (OSTI)

We review three principal results from a five year study of carbon and its properties in detonations and discuss the implications of these results to the behavior of explosives. We first present a new determination of the carbon melt line from release wave velocity measurements in the shocked state. We then outline a colloidal theory of carbon clustering which from diffusion limited coagulation predicts a slow energy release rate for the carbon chemistry. Finally, we show the results from the examination of recovered soot. Here we see support for the colloid theory and find the diamond phase of carbon. The main theme of this paper is that the carbon in detonation products is in the form of a colloidal suspension of carbon clusters which grow through diffusion limited collisions. Even the final state is not bulk graphite or diamond, but is a collection of small, less than 100 /angstrom/A, diamond and graphitic clusters. 23 refs., 4 figs.

Johnson, J.D.

1989-01-01T23:59:59.000Z

270

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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone6 M. Babzien,Biological Imaging byBiomimetic Dye Molecules for

271

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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone6 M. Babzien,Biological Imaging byBiomimetic Dye Molecules

272

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

SciTech Connect (OSTI)

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.

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

273

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

SciTech Connect (OSTI)

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}.

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

1999-05-01T23:59:59.000Z

274

Theoretical investigation on single-molecule chiroptical spectroscopy  

SciTech Connect (OSTI)

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 Fermis 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.

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

275

CMB and Molecules at High Redshift  

E-Print Network [OSTI]

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.

F. Combes

1999-01-17T23:59:59.000Z

276

Carbon dioxide sensor  

DOE Patents [OSTI]

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).

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

2011-11-15T23:59:59.000Z

277

Physisorption of molecular hydrogen on carbon nanotube with vacant defects  

SciTech Connect (OSTI)

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.

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

278

Energy, Carbon-emission and Financial Savings from Thermostat Control  

SciTech Connect (OSTI)

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.

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

2013-08-01T23:59:59.000Z

279

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

SciTech Connect (OSTI)

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.

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

280

Voluntary Carbon Confusion: A Consumer's Guide to Purchasing Carbon Offsets  

E-Print Network [OSTI]

Voluntary Carbon Confusion: A Consumer's Guide to Purchasing Carbon Offsets and Renewable Energy 4 Report Introduction 5 Product Types 5 A. Carbon Offsets 5 B. Certified Emission Reductions (CERs. Voluntary Carbon Confusion: A Consumer's Guide to Purchasing Carbon Offsets and Renewable Energy

Hoffman, Andrew J.

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

Carbon RRLs Carbon RRLs towards Ultra-compact HII Regions  

E-Print Network [OSTI]

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

Balser, Dana S.

282

Would Border Carbon Adjustments prevent carbon leakage and heavy industry  

E-Print Network [OSTI]

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

Paris-Sud XI, Université de

283

Cumulative Carbon and Just Allocation of the Global Carbon Commons  

E-Print Network [OSTI]

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

Pierrehumbert, Raymond

284

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

285

Mesoporous carbon materials  

DOE Patents [OSTI]

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.

Dai, Sheng; Wang, Xiqing

2013-08-20T23:59:59.000Z

286

Mesoporous carbon materials  

DOE Patents [OSTI]

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.

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

2012-02-14T23:59:59.000Z

287

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

SciTech Connect (OSTI)

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.

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

288

The use of carbon molecule sieve and Pd membranes for conventional and reactive applications.  

E-Print Network [OSTI]

??High-temperature gas separations using inorganic membranes have attracted increased attention in recent years. In particular, the use of such membranes in high?temperature and high?pressure membrane (more)

Yu, Jiang

2014-01-01T23:59:59.000Z

289

Water and Carbon Dioxide Adsorption at Olivine Surfaces  

SciTech Connect (OSTI)

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

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

2013-11-14T23:59:59.000Z

290

Reinforced Carbon Nanotubes.  

DOE Patents [OSTI]

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.

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

291

Carbon Fiber SMC  

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

110,000 ACC capital) in 2008 * 54,000 for 2009 Partners * Continental Structural Plastic (CSP), a Tier One supplier * Discounted compounding and molding * Zoltek, a carbon...

292

Activated Carbon Injection  

SciTech Connect (OSTI)

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.

None

2014-07-16T23:59:59.000Z

293

Activated Carbon Injection  

ScienceCinema (OSTI)

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.

None

2014-07-22T23:59:59.000Z

294

Low energy ion-molecule reactions  

SciTech Connect (OSTI)

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}.

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

1993-12-01T23:59:59.000Z

295

Absolute absorption spectroscopy based on molecule interferometry  

E-Print Network [OSTI]

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.

Stefan Nimmrichter; Klaus Hornberger; Hendrik Ulbricht; Markus Arndt

2008-11-07T23:59:59.000Z

296

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

297

Reversing Climate Change: Using Carbon Technology to Offset Carbon Emissions  

E-Print Network [OSTI]

Reversing Climate Change: Using Carbon Technology to Offset Carbon Emissions Climate change is real not only emitting less greenhouse gas (GHG), but actually sources of negative carbon. We then present two

298

Carbon-Optimal and Carbon-Neutral Supply Chains  

E-Print Network [OSTI]

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

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

2011-01-01T23:59:59.000Z

299

Carbon-Optimal and Carbon-Neutral Supply Chains  

E-Print Network [OSTI]

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

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

2011-01-01T23:59:59.000Z

300

Carbonation Mechanism of Reservoir Rock by Supercritical Carbon...  

Open Energy Info (EERE)

from reservoir rock formation. - Task 2: Carbonation study of minerals. - Task 3: Mechanical behaviors of carbonated minerals. - Task 4: Modeling of CO2- reservoir rock...

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Carbon monoxide absorbing liquid  

SciTech Connect (OSTI)

The present disclosure is directed to a carbon monoxide absorbing liquid containing a cuprous ion, hydrochloric acid and titanum trichloride. Titanium trichloride is effective in increasing the carbon monoxide absorption quantity. Furthermore, titanium trichloride remarkably increases the oxygen resistance. Therefore, this absorbing liquid can be used continuously and for a long time.

Arikawa, Y.; Horigome, S.; Kanehori, K.; Katsumoto, M.

1981-07-07T23:59:59.000Z

302

Fly ash carbon passivation  

DOE Patents [OSTI]

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.

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

2013-05-14T23:59:59.000Z

303

Electronic Properties of Carbon Nanotubes  

E-Print Network [OSTI]

P. Avouris, in Carbon Nanotubes M. S. Dresselhaus, P.Physics of Carbon Nanotubes S. V. Rotkin, S. Subramoney,Properties of Carbon Nanotubes Philip G. Collins 1 and

Collins, Philip G

2008-01-01T23:59:59.000Z

304

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

305

Electronic Properties of Carbon Nanotubes  

E-Print Network [OSTI]

P. Avouris, in Carbon Nanotubes M. S. Dresselhaus, P.in Applied Physics of Carbon Nanotubes S. V. Rotkin, S.Electronic Properties of Carbon Nanotubes Philip G. Collins

Collins, Philip G

2008-01-01T23:59:59.000Z

306

Target molecules detection by waveguiding in a photonic silicon membrane  

DOE Patents [OSTI]

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.

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

307

Target molecules detection by waveguiding in a photonic silicon membrane  

DOE Patents [OSTI]

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.

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

2004-08-31T23:59:59.000Z

308

The photodissociation and reaction dynamics of vibrationally excited molecules  

SciTech Connect (OSTI)

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.

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

1993-12-01T23:59:59.000Z

309

Microfluidic systems for continuous crystallization of small organic molecules  

E-Print Network [OSTI]

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. ...

Sultana, Mahmooda

2010-01-01T23:59:59.000Z

310

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

SciTech Connect (OSTI)

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.

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

1986-01-01T23:59:59.000Z

311

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

E-Print Network [OSTI]

. 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

Goddard III, William A.

312

Catalytic activation of carbon monoxide on metal surfaces  

SciTech Connect (OSTI)

In discussing the important basic aspects of carbon monoxide chemistry, this review covers the adsorption and reaction of CO with H/sub 2/O and H/sub 2/ on reduced metal surfaces. Carbon monoxide adsorption of the Group VIII metals exhibits certain patterns. Typically, as coverages exceed one-half, compression occurs in the monolayer and the molecules lose registry with the surface metal atoms. Particular sites associated with rough surfaces facilitate CO dissociation to the surface carbon; these sites may have a significant effect on selectivity in the CO hydrogenation reaction. The support used and the metal crystallite size both affect the catalyst activity and product selectivity. Indications are strong that a better knowledge of metal-support interactions combined with a more complete understanding of the surface chemistry involved will lead to improved catalyst systems in the future.

Vannice, M.A.

1982-01-01T23:59:59.000Z

313

Pacific Northwest rangeland carbon sequestration.  

E-Print Network [OSTI]

??This paper models the supply curve of carbon sequestration on Pacific Northwest rangelands. Rangeland managers have the ability to sequester carbon in agricultural soils by (more)

Wiggins, Seth T.

2012-01-01T23:59:59.000Z

314

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

315

Soft-Template-Synthesized Mesoporous Carbon for Oral Drug Delivery  

SciTech Connect (OSTI)

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.

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

2014-01-01T23:59:59.000Z

316

Glucose sensing molecules having selected fluorescent properties  

DOE Patents [OSTI]

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.

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

2004-01-27T23:59:59.000Z

317

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

SciTech Connect (OSTI)

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.

None

1981-01-01T23:59:59.000Z

318

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

SciTech Connect (OSTI)

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.

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

319

Cumulative Carbon and Just Allocation of the Global Carbon Commons  

E-Print Network [OSTI]

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

Pierrehumbert, Raymond

320

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

E-Print Network [OSTI]

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

Srivastava, Kumar Vaibhav

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

Trading Water for Carbon with Biological Carbon Sequestration  

E-Print Network [OSTI]

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

Nacional de San Luis, Universidad

322

IMPACCT: Carbon Capture Technology  

SciTech Connect (OSTI)

IMPACCT Project: IMPACCTs 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.

None

2012-01-01T23:59:59.000Z

323

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...

324

Spectroscopic probes of vibrationally excited molecules at chemically significant energies  

SciTech Connect (OSTI)

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.

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

1993-12-01T23:59:59.000Z

325

Ejection of Neutral Molecules from Ion-bombarded Organic Surfaces  

E-Print Network [OSTI]

. In the present study, time-of-flight and energy distribu- tions of various neutral molecules ejected upon keV ionEjection of Neutral Molecules from Ion- bombarded Organic Surfaces Reema Chatterjee, Donald E, 184 Materials Research Institute Building, University Park, PA 16802, USA Time-of-flight distributions

Zbigniew, Postawa

326

Supplementary Material Free energy recovery in single molecule experiments  

E-Print Network [OSTI]

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

Ritort, Felix

327

Mining Molecular Fragments: Finding Relevant Substructures of Molecules  

E-Print Network [OSTI]

­known National Cancer Institute's HIV­screening dataset. 1. Introduction Many data mining tasks in bioinformaticsMining Molecular Fragments: Finding Relevant Substructures of Molecules Christian Borgelt School in a set of molecules that help to discriminate between different classes of, for instance, activity

Borgelt, Christian

328

Mining Molecular Fragments: Finding Relevant Substructures of Molecules  

E-Print Network [OSTI]

-known National Cancer Institute's HIV-screening dataset. 1. Introduction Many data mining tasks in bioinformaticsMining Molecular Fragments: Finding Relevant Substructures of Molecules Christian Borgelt School in a set of molecules that help to discriminate between different classes of, for instance, activity

Borgelt, Christian

329

Self-Assembly of Dendron Rodcoil Molecules into Nanoribbons  

E-Print Network [OSTI]

Self-Assembly of Dendron Rodcoil Molecules into Nanoribbons Eugene R. Zubarev, Martin U. Pralle on designed molecules that self-order or fold. The focus on self-assembly throughout the 90s has generated to control the dimensionality and shape of self- assembled structures through molecular design remains a chal

Zubarev, Eugene

330

Colossal Absorption of Molecules Inside Single Terahertz Nanoantennas  

E-Print Network [OSTI]

Colossal Absorption of Molecules Inside Single Terahertz Nanoantennas Hyeong-Ryeol Park, Kwang Jun: Molecules have extremely small absorption cross sections in the terahertz range even under resonant to be enhanced by >103 accompanied by a colossal absorption coefficient of 170 000 cm-1 . Tens of nanograms

Park, Namkyoo

331

Carbon nanotubes : synthesis, characterization, and applications  

E-Print Network [OSTI]

fibers, carbon nanotubes, and carbon capsule structures canand multi-walled nanotubes and carbon fiber, and occurs withMulti- walled carbon nanotubes, Carbon, v.43, pp.2608-2617,

Deck, Christian Peter

2009-01-01T23:59:59.000Z

332

Dust and Molecules at High Redshift  

E-Print Network [OSTI]

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.

F. Combes

1998-12-23T23:59:59.000Z

333

Transitions of tethered chain molecules under tension  

E-Print Network [OSTI]

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.

Jutta Luettmer-Strathmann; Kurt Binder

2014-09-09T23:59:59.000Z

334

ANALYTIC APPROXIMATION OF CARBON CONDENSATION ISSUES IN TYPE II SUPERNOVAE  

SciTech Connect (OSTI)

I present analytic approximations for some issues related to condensation of graphite, TiC, and silicon carbide in oxygen-rich cores of supernovae of Type II. Increased understanding, which mathematical analysis can support, renders researchers more receptive to condensation in O-rich supernova gases. Taking SN 1987A as typical, my first analysis shows why the abundance of CO molecules reaches an early maximum in which free carbon remains more abundant than CO. This analysis clarifies why O-rich gas cannot oxidize C if {sup 56}Co radioactivity is as strong as in SN 1987A. My next analysis shows that the CO abundance could be regarded as being in chemical equilibrium if the CO molecule is given an effective binding energy rather than its laboratory dissociation energy. The effective binding energy makes the thermal dissociation rate of CO equal to its radioactive dissociation rate. This preserves possible relevance for the concept of chemical equilibrium. My next analysis shows that the observed abundances of CO and SiO molecules in SN 1987A rule out frequent suggestions that equilibrium condensation of SUNOCONs has occurred following atomic mixing of the He-burning shell with more central zones in such a way as to reproduce roughly the observed spectrum of isotopes in SUNOCONs while preserving C/O > 1. He atoms admixed along with the excess carbon would destroy CO and SiO molecules, leaving their observed abundances unexplained. The final analysis argues that a chemical quasiequilibrium among grains (but not gas) may exist approximately during condensation, so that its computational use is partially justified as a guide to which mineral phases would be stable against reactions with gas. I illustrate this point with quasiequilibrium calculations by Ebel and Grossman that have shown that graphite is stable even when O/C >1 if prominent molecules are justifiably excluded from the calculation of chemical equilibrium.

Clayton, Donald D., E-mail: claydonald@gmail.com [Department of Physics and Astronomy, Clemson University, Clemson, SC (United States)

2013-01-01T23:59:59.000Z

335

ATK - Supersonic Carbon Capture  

ScienceCinema (OSTI)

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.

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

2014-04-11T23:59:59.000Z

336

Extrasolar Carbon Planets  

E-Print Network [OSTI]

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.

Marc J. Kuchner; S. Seager

2005-05-02T23:59:59.000Z

337

ATK - Supersonic Carbon Capture  

SciTech Connect (OSTI)

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.

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

338

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 Commonwealths utilities, the Electric Power Research Institute, the Center for...

339

Activated carbon aerogels  

SciTech Connect (OSTI)

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.

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

340

Low Carbon Fuel Standards  

E-Print Network [OSTI]

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

Sperling, Dan; Yeh, Sonia

2009-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

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...

342

Research Summary Carbon Additionality  

E-Print Network [OSTI]

of the quality assurance of emissions reduction and carbon sequestration activities, but remains a source of much/reporting additionality rules. Technological Application of specific technology. Term Abatement arises within a specified

343

4, 1367, 2007 Modelling carbon  

E-Print Network [OSTI]

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

Paris-Sud XI, Université de

344

Method for synthesizing carbon nanotubes  

DOE Patents [OSTI]

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.

Fan, Hongyou

2012-09-04T23:59:59.000Z

345

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

346

Carbon dioxide removal process  

DOE Patents [OSTI]

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.

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

2003-11-18T23:59:59.000Z

347

Lead carbonate scintillator materials  

DOE Patents [OSTI]

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.

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

1991-05-14T23:59:59.000Z

348

Black Carbons Properties and Role in the Environment: A Comprehensive Review  

E-Print Network [OSTI]

Keywords: soil carbon sequestration; carbon budget;of an energy efficient carbon sequestration mechanism, asin the later section on carbon sequestration. In atmospheric

Shrestha, Gyami

2010-01-01T23:59:59.000Z

349

Black Carbons Properties and Role in the Environment: A Comprehensive Review  

E-Print Network [OSTI]

H. Can reducing black carbon emissions counteract globalinventory of black carbon emissions. Atmos. Environ. 1993,commonly studied form of carbon emissions. Black carbon (BC)

Shrestha, Gyami

2010-01-01T23:59:59.000Z

350

Carbon based prosthetic devices  

SciTech Connect (OSTI)

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.

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

351

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

E-Print Network [OSTI]

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.

Martin Bitter; Valery Milner

2012-10-18T23:59:59.000Z

352

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

SciTech Connect (OSTI)

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.

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

353

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

E-Print Network [OSTI]

were incorporated onto the surface of epoxy carbon fiber composites, as proposed fire shieldsStudy of fire retardant behavior of carbon nanotube membranes and carbon nanofiber paper in carbon fiber reinforced epoxy composites Qiang Wu, Wei Zhu, Chuck Zhang *, Zhiyong Liang, Ben Wang Department

Das, Suman

354

Measurement of carbon capture efficiency and stored carbon leakage  

DOE Patents [OSTI]

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.

Keeling, Ralph F.; Dubey, Manvendra K.

2013-01-29T23:59:59.000Z

355

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

356

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

SciTech Connect (OSTI)

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.

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

357

Recent progress in electron scattering from atoms and molecules  

SciTech Connect (OSTI)

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.

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 Garas, 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); Limo-Vieira, P. [Laboratrio de Colises Atmicas e Moleculares, CEFITEC, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

2014-03-05T23:59:59.000Z

358

Chemical bond and entanglement of electrons in the hydrogen molecule  

E-Print Network [OSTI]

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.

Nikos Iliopoulos; Andreas F. Terzis

2014-08-01T23:59:59.000Z

359

Carbon Fuel Particles Used in Direct Carbon Conversion Fuel Cells  

DOE Patents [OSTI]

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.

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

2008-10-21T23:59:59.000Z

360

Carbon fuel particles used in direct carbon conversion fuel cells  

DOE Patents [OSTI]

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.

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

2011-08-16T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Carbon fuel particles used in direct carbon conversion fuel cells  

DOE Patents [OSTI]

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.

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

2012-01-24T23:59:59.000Z

362

Carbon fuel particles used in direct carbon conversion fuel cells  

DOE Patents [OSTI]

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.

Cooper, John F.; Cherepy, Nerine

2012-10-09T23:59:59.000Z

363

Chemically modified carbonic anhydrases useful in carbon capture systems  

DOE Patents [OSTI]

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.

Novick, Scott J; Alvizo, Oscar

2013-10-29T23:59:59.000Z

364

Chemically modified carbonic anhydrases useful in carbon capture systems  

DOE Patents [OSTI]

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.

Novick, Scott; Alvizo, Oscar

2013-01-15T23:59:59.000Z

365

Understanding Enzyme Activity Using Single Molecule Tracking (Poster)  

SciTech Connect (OSTI)

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.

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

2009-06-01T23:59:59.000Z

366

Attosecond electronic and nuclear quantum photodynamics of the ozone molecule  

SciTech Connect (OSTI)

Coupled electron-nuclear dynamics simulations are investigated for the ozone molecule on the attosecond time scale. The initial wavepacket is pumped as a coherent superposition of two or three electronic states.

Halsz, G. J. [Department of Information Technology, University of Debrecen, H-4010 Debrecen, PO Box 12 (Hungary)] [Department of Information Technology, University of Debrecen, H-4010 Debrecen, PO Box 12 (Hungary); Perveaux, A.; Lasorne, B.; Gatti, F. [CTMM, Institut Charles Gerhardt Montpellier, F-34095 Montpellier Cedex 5 (France)] [CTMM, Institut Charles Gerhardt Montpellier, F-34095 Montpellier Cedex 5 (France); Robb, M. A. [Imperial College London, Department of Chemistry, London SW7 2AZ (United Kingdom)] [Imperial College London, Department of Chemistry, London SW7 2AZ (United Kingdom); Vibk, . [Department of Theoretical Physics, University of Debrecen, H-40410 Debrecen, PO Box 5 (Hungary)] [Department of Theoretical Physics, University of Debrecen, H-40410 Debrecen, PO Box 5 (Hungary)

2013-11-13T23:59:59.000Z

367

Multimonth controlled small molecule release from biodegradable thin films  

E-Print Network [OSTI]

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 ...

Hammond, Paula T.

368

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

SciTech Connect (OSTI)

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.

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

369

Conformation and Luminescence of Isolated Molecular Semiconductor Molecules  

E-Print Network [OSTI]

as the active layer in optoelectronic devices such as organic light-emitting diodes (OLEDs) and lasers. Unlike many conjugated polymers used in optoelectronic devices, these molecules are high in purity and well

Buratto, Steve

370

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...

371

Isolated menthone reductase and nucleic acid molecules encoding same  

DOE Patents [OSTI]

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.

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

2013-04-23T23:59:59.000Z

372

Computational modeling of biological molecule separation in nanofluidic devices  

E-Print Network [OSTI]

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 ...

Fayad, Ghassan Najib, 1982-

2010-01-01T23:59:59.000Z

373

Estimation method for the thermochemical properties of polycyclic aromatic molecules  

E-Print Network [OSTI]

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 ...

Yu, Joanna

2005-01-01T23:59:59.000Z

374

Exploring the mechanome with optical tweezers and single molecule fluorescence  

E-Print Network [OSTI]

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 ...

Brau, Ricardo R. (Ricardo Rafael), 1979-

2008-01-01T23:59:59.000Z

375

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...

376

Small Molecule Sensing by Local pH Modulation  

E-Print Network [OSTI]

, ortho-rhodamine B conjugated POPE (1-hexadecanoyl-2-(9Z-octa-decenoyl)-sn-glycero-3-phosphoethanolamine), as a membrane imbedded reporter molecule to monitor ligand-receptor interactions on SLBs by measuring the fluorescence intensity change. Also...

Huang, Da

2013-11-14T23:59:59.000Z

377

Dissociative Adsorption of Molecules on Graphene and Silicene  

E-Print Network [OSTI]

We study the interaction of H$_2$, O$_2$, CO, H$_2$O and OH molecules with the vacancy defects of graphene and silicene. Atoms around the bare vacancy reconstruct and specific chemically active sites are created. While H$_2$, O$_2$ and CO remain intact on both pristine graphene and silicene, these molecules can dissociate when they are placed at the close proximity of these chemically active sites and nucleate centers for the hydrogenation and oxygenation. Saturation of the dangling bonds at the defect sites by constituent atoms of dissociated molecules gives rise to significant modification of electronic and magnetic properties. We analyzed the mechanism of the dissociation and revealed a concerted action of surrounding host atoms together with dissociated molecules to lower the energy barrier needed for dissociation. The dissociations of H$_2$O and OH are hindered by high energy barriers. Our study suggests that graphene and silicene can be functionalized by creating meshes of single vacancy, where specific...

Gurel, H Hakan; Ciraci, S

2014-01-01T23:59:59.000Z

378

Single molecule analysis of DNA electrophoresis in microdevices  

E-Print Network [OSTI]

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 ...

Randall, Greg C

2006-01-01T23:59:59.000Z

379

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...

380

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...

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

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...

382

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...

383

Electrochemical implications of defects in carbon nanotubes  

E-Print Network [OSTI]

in Hollow Carbon Nanotubes . . . . . . 4.3.2.1 IncreasingThe electrochemistry of carbon nanotubes. Journal of Thethe sidewalls of carbon nanotubes. Journal of the American

Hoefer, Mark

2012-01-01T23:59:59.000Z

384

A cell nanoinjector based on carbon nanotubes  

E-Print Network [OSTI]

based on carbon nanotubes Xing Chen *|| , Andras Kis || ,that uses carbon nanotubes to deliver cargo into cells. Astrength (2, 3), carbon nanotubes (CNTs) are ideal nanoscale

Chen, Xing; Kis, Andras; Zettl, Alex; Bertozzi, Carolyn R.

2008-01-01T23:59:59.000Z

385

Electron transport through single carbon nanotubes  

E-Print Network [OSTI]

through single carbon nanotubes G. Chai Apollo Technologies,aligned multi-wall carbon nanotubes (CNT). Embedding of CNTsuse of fiber coated carbon nanotubes makes the handling of

Chai, G

2008-01-01T23:59:59.000Z

386

Ultrafast Nonlinear Spectroscopy of Semiconducting Carbon Nanotubes  

E-Print Network [OSTI]

Exciton binding energies in carbon nanotubes from two-photonExciton binding energies in carbon nanotubes from two-photonoptical transition energies of carbon nanotubes: the role of

Graham, Matthew Werden

2010-01-01T23:59:59.000Z

387

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...

388

Carbon Trading Protocols for Geologic Sequestration  

E-Print Network [OSTI]

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

Hoversten, Shanna

2009-01-01T23:59:59.000Z

389

ASSESSMENT OF HOUSEHOLD CARBON FOOTPRINT REDUCTION POTENTIALS  

E-Print Network [OSTI]

of Americanhouseholdcarbonfootprint. Ecologicaland limitations)ofcarbonfootprintestimatestowardoftheartincarbonfootprintanalysesforCalifornia,

Masanet, Eric

2010-01-01T23:59:59.000Z

390

On carbon footprints and growing energy use  

E-Print Network [OSTI]

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

Oldenburg, C.M.

2012-01-01T23:59:59.000Z

391

Carbon Nanotubes: Bearing Stress Like Never Before  

E-Print Network [OSTI]

Hart, A.J. (2013). Carbon Nanotubes: Present and Futureproduction of carbon nanotubes, and can be used to producesynthesized properly, and carbon nanotubes are no exception.

Limaye, Aditya

2013-01-01T23:59:59.000Z

392

Electrochemical implications of defects in carbon nanotubes  

E-Print Network [OSTI]

parameters. Fullerenes, Nanotubes and Carbon Nanostructures,in Hollow Carbon Nanotubes . . . . . . 4.3.2.1 Increasingmigration in graphite and carbon nanotubes. Chemical Physics

Hoefer, Mark

2012-01-01T23:59:59.000Z

393

Carbon Nanotube and Graphene Nanoelectromechanical Systems  

E-Print Network [OSTI]

Carbon Nanotubes on the2.4 Static Deformation of Carbon Nanotubes . . . . . .3.2 Field Emission from Carbon Nanotubes: Electrostatics

Aleman, Benjamin Jose

2011-01-01T23:59:59.000Z

394

Defects and Disorder in Carbon Nanotubes  

E-Print Network [OSTI]

Perebeinos, V. (2008) Carbon Nanotubes 111 423. Bachilo, S.M. & Mceuen, P. L. (2008) Carbon Nanotubes 111 Biro, L. P. ,sectional structure of carbon nanotubes. Fullerenes '96.

Collins, Philip G

2010-01-01T23:59:59.000Z

395

Electron transport through single carbon nanotubes  

E-Print Network [OSTI]

transport through single carbon nanotubes G. Chai Apolloaligned multi-wall carbon nanotubes (CNT). Embedding of CNTsuse of fiber coated carbon nanotubes makes the handling of

Chai, G

2008-01-01T23:59:59.000Z

396

How Carbon Capture Works | Department of Energy  

Energy Savers [EERE]

past two decades. Carbon capture, utilization and storage (CCUS) -- also referred to as carbon capture, utilization and sequestration -- is a process that captures carbon dioxide...

397

Carbon nanotubes : synthesis, characterization, and applications  

E-Print Network [OSTI]

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

Deck, Christian Peter

2009-01-01T23:59:59.000Z

398

Distributed Energy Resources for Carbon Emissions Mitigation  

E-Print Network [OSTI]

Energy Resources for Carbon Emissions Mitigation RyanEnergy Resources for Carbon Emissions Mitigation Ryanand/or site-attributable carbon emissions at commercial and

Firestone, Ryan; Marnay, Chris

2008-01-01T23:59:59.000Z

399

Carbon-particle generator  

DOE Patents [OSTI]

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.

Hunt, A.J.

1982-09-29T23:59:59.000Z

400

Activated Carbon Composites for Air Separation  

SciTech Connect (OSTI)

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.

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

2011-09-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

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]

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...

Moldovan, Daniel Gene

1990-01-01T23:59:59.000Z

402

Ab Initio/RRKM Study of the Potential Energy Surface of Triplet Ethylene and Product Branching Ratios of the C(3P) + CH4 Reaction  

E-Print Network [OSTI]

Ab Initio/RRKM Study of the Potential Energy Surface of Triplet Ethylene and Product Branching originating from the collision energy (12.2 kcal/mol), the sole reaction products are C2H3 + H, where 90 potential energy surface for the C(3P) + CH4 reaction have been performed using the CCSD(T)/6-311+G(3df,2p

Nguyen, Minh Tho

403

Formation of rare earth carbonates using supercritical carbon dioxide  

DOE Patents [OSTI]

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.

Fernando, Quintus (Tucson, AZ); Yanagihara, Naohisa (Zacopan, MX); Dyke, James T. (Santa Fe, NM); Vemulapalli, Krishna (Tuscon, AZ)

1991-09-03T23:59:59.000Z

404

Development of carbon-carbon composites from solvent extracted pitch  

SciTech Connect (OSTI)

There are several methods used to fabricate carbon-carbon composites. One used extensively in the fabrication of aerospace components such as rocket nozzles and reentry vehicle nosetips, as well as commercial components for furnace fixturing and glass manufacturing, is the densification of a woven preform with molten pitch, and the subsequent conversion of the pitch to graphite through heat treatment. Two types of pitch are used in this process; coal tar pitch and petroleum pitch. The objective of this program was to determine if a pitch produced by the direct extraction of coal could be used as a substitute for these pitches in the fabrication of carbon-carbon composites. The program involved comparing solvent extracted pitch with currently accepted pitches and rigidizing a carbon-carbon preform with solvent extracted pitch for comparison with carbon-carbon fabricated with currently available pitch.

NONE

1996-06-24T23:59:59.000Z

405

SoftTemplated Mesoporous CarbonCarbon Nanotube Composites for...  

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

Mesoporous Carbon-Carbon Nanotube Composites for High Performance Lithium-ion Batteries Dr. B. K. Guo, Dr. X. Q. Wang, Dr. P. F. Fulvio , Dr. S. M. Mahurin, Dr. X.-G. Sun,...

406

Ultrahard carbon nanocomposite films  

SciTech Connect (OSTI)

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.

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

407

Corrosion behavior of several metals in ethylene glycol-base heat-transfer fluids under conditions encountered in solar energy systems  

SciTech Connect (OSTI)

The corrosion behavior of aluminum, copper, and iron in inhibited ethylene glycol-ASTM corrosive water solutions was evaluated in a laboratory loop under isothermal and heat-flux conditions for 1000 h at temperatures between 378 and 413/sup 0/K, in static autoclave tests at 450/sup 0/K for 500 h, and by potentiodynamic polarization measurements at temperatures between 298 and 348/sup 0/K. The effect of time, temperature, and ethylene glycol concentration of the heat-transfer fluid on the extent of inhibitor depletion was determined from analyses of the reserve alkalinity, pH, and inhibitor content of the solutions. The performance of an electrochemical sensor as a monitor of fluid quality was also evaluated. A heat flux of 0.4 to 1.0 kW/m/sup 2/ did not have a significant effect on the corrosion behavior of the various materials at temperatures between 378 and 413/sup 0/K. The corrosion rates of aluminum, copper, and iron in the 50 volume percent inhibited ethylene glycol-corrosive water solution decreased as a function of time during the 1000-h test. At 413/sup 0/K, the corrosion rate of copper was considerably higher than that of iron or aluminum at low flow velocity. Significant degradation of the fluid quality, as indicated by the measurement of the pH, reserve alkalinity, and inhibitor concentrations, occurred after several hundred hours at temperatures of approx. 450/sup 0/K.

Zeman, G.J.

1980-01-01T23:59:59.000Z

408

Structural response of oxidation resistant carbon-carbon composites  

E-Print Network [OSTI]

for the degree of MASTER OF SCIENCE Approved as to style and content by: zden O. Ochoa (Chair of Committee) Tho . o k (Member) Paul . Roschke (Member) J. A. Caton (Head of Department) December l996 Major Subject: Mechanical Engineering ABSTRACT... Structural Response of Oxidation Resistant Carbon-carbon Composites. (December 1996) Timothy Harold Ashley, B. S. , Texas ARM University Chair of Advisory Committee: Dr. Ozden O. Ochoa Since carbon-carbon composites maintain their strength at high...

Ashley, Timothy Harold

2012-06-07T23:59:59.000Z

409

Diffusion through Carbon Nanotube Semipermeable membranes  

SciTech Connect (OSTI)

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.

Bakajin, O

2006-02-13T23:59:59.000Z

410

E-Print Network 3.0 - adapter molecule cooperates Sample Search...  

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

the interaction between Hg(II) and water molecules... DFT study by stepwise solvation of HgCl2 including up to 24 water molecules. In order to include p... molecules. In all cases...

411

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

412

ISSUES IN EVALUATING CARBON SEQUESTRATION AND ATTRIBUTING CARBON CREDITS TO GRASSLAND RESTORATION EFFORTS  

E-Print Network [OSTI]

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

Wisconsin at Madison, University of

413

Diffusional motion of redox centers in carbonate electrolytes  

SciTech Connect (OSTI)

Ferrocene (Fc) and N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistrifluoromethyl-sulfonimide (Fc1N112-TFSI) were dissolved in carbonate solvents and self-diffusion coefficients (D) of solutes and solvents were measured by {sup 1}H and {sup 19}F pulsed field gradient nuclear magnetic resonance (NMR) spectroscopy. The organic solvents were propylene carbonate (PC), ethyl methyl carbonate (EMC), and a ternary mixture that also includes ethylene carbonate (EC). Results from NMR studies over the temperature range of 050 C and for various concentrations (0.251.7 M) of Fc1N112-TFSI are compared to values of D simulated with classical molecular dynamics (MD). The measured self-diffusion coefficients gradually decreased as the Fc1N112-TFSI concentration increased in all solvents. Since TFSI{sup ?} has fluoromethyl groups (CF{sub 3}), D{sub TFSI} could be measured separately and the values found are larger than those for D{sub Fc1N112} in all samples measured. The EC, PC, and EMC have the same D in the neat solvent mixture and when Fc is dissolved in EC/PC/EMC at a concentration of 0.2 M, probably due to the interactions between common carbonyl structures within EC, PC, and EMC. A difference in D (D{sub PC} < D{sub EC} < D{sub EMC}), and both a higher E{sub a} for translational motion and higher effective viscosity for PC in the mixture containing Fc1N112-TFSI reflect the interaction between PC and Fc1N112{sup +}, which is a relatively stronger interaction than that between Fc1N112{sup +} and other solvent species. In the EC/PC/EMC solution that is saturated with Fc1N112-TFSI, we find that D{sub PC} = D{sub EC} = D{sub EMC} and Fc1N112{sup +} and all components of the EC/PC/EMC solution have the same E{sub a} for translational motion, while the ratio D{sub EC/PC/EMC}/D{sub Fc1N112} is approximately 3. These results reflect the lack of available free volume for independent diffusion in the saturated solution. The Fc1N112{sup +} transference numbers lie around 0.4 and increase slightly as the temperature is increased in the PC and EMC solvents. The trends observed for D from simulations are in good agreement with experimental results and provide molecular level understanding of the solvation structure of Fc1N112-TFSI dissolved in EC/PC/EMC.

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

414

Diffusional Motion of Redox Centers in Carbonate Electrolytes  

SciTech Connect (OSTI)

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.

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

415

Spectroscopic and Computational Studies of Aqueous Ethylene Glycol Solution Surfaces Elizabeth L. Hommel, John K. Merle, Gang Ma, Christopher M. Hadad,* and  

E-Print Network [OSTI]

of molecules in the atmosphere, including pollutants.1-5 Atmospheric aerosol surface chemistry, polar that the orientation of the molecules can control the subsequent reaction pathways. Many volatile organic compounds be located at the interface. The air-liquid interface comprises liquidlike and gaslike molecules, i

416

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)

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.

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

417

Nuclear Magnetic Resonance Investigation of Dynamics in Poly(Ethylene Oxide) Based Lithium Polyether-ester-sulfonate Ionomers  

SciTech Connect (OSTI)

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.

Roach, David J.; Dou, Shichen; Colby, Ralph H.; Mueller, Karl T.

2012-01-07T23:59:59.000Z

418

Carbon nanotubes: synthesis and functionalization  

E-Print Network [OSTI]

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...

Andrews, Robert

2007-01-01T23:59:59.000Z

419

Irradiation Stability of Carbon Nanotubes  

E-Print Network [OSTI]

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 species at various energies...

Aitkaliyeva, Assel

2010-01-14T23:59:59.000Z

420

Sensor applications of carbon nanotubes  

E-Print Network [OSTI]

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, ...

Rushfeldt, Scott I

2005-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Photofragmentation in linked donor-acceptor molecules. Intramolecular single electron transfer induced cleavage of a 1,2-diamine  

SciTech Connect (OSTI)

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.

Leon, J.W.; Whitten, D.G. (Univ. of Rochester, NY (United States))

1993-09-08T23:59:59.000Z

422

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.

423

Carbon smackdown: wind warriors  

ScienceCinema (OSTI)

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.

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

424

Carbon smackdown: wind warriors  

SciTech Connect (OSTI)

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.

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

425

CARBON DIOXIDE EMISSION REDUCTION  

E-Print Network [OSTI]

.5 Primary Energy Use and Carbon Dioxide Emissions for Selected US Chemical Subsectors in 1994 ...............................................................................................................16 Table 2.7 1999 Energy Consumption and Specific Energy Consumption (SEC) in the U.S. Cement Efficiency Technologies and Measures in Cement Industry.................22 Table 2.9 Energy Consumption

Delaware, University of

426

Carbon smackdown: smart windows  

ScienceCinema (OSTI)

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.

Delia Milliron

2010-09-01T23:59:59.000Z

427

Conversion of CO2 into Commercial Materials Using Carbon Feedstocks  

SciTech Connect (OSTI)

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 CC 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 900C 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 600C and 350 psig. Based on these developments, the potential for CO2 utilization in the production of large volume commodity chemicals is very promising.

Shen, Jian-Ping; Peters, Jonathan; Lail, Marty; Mobley, Paul; Turk, Brian

2014-05-31T23:59:59.000Z

428

14 April 2001 tmospheric carbon dioxide  

E-Print Network [OSTI]

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

Teskey, Robert O.

429

From Artificial Atoms to Nanocrystal Molecules: Preparation and Properties of More Complex Nanostructures  

E-Print Network [OSTI]

from artificial atoms to artificial molecules. Angew.quantum dot as an artificial atom. (a) Density of states inFrom Artificial Atoms to Nanocrystal Molecules: Preparation

Choi, Charina L

2010-01-01T23:59:59.000Z

430

E-Print Network 3.0 - applied small molecule Sample Search Results  

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

monolayers... .2.2 Deposition of Molecules For the investigation of the transport through small molecules such as hydro- gen... for several reasons. First, it strongly chemisorbs...

431

Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic...  

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

Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic Hybrid Thermoelectrics Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic Hybrid Thermoelectrics...

432

1, 167193, 2004 Terrestrial carbon  

E-Print Network [OSTI]

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

Paris-Sud XI, Université de

433

Carbon Nanotubes for Data Processing  

E-Print Network [OSTI]

Carbon Nanotubes for Data Processing Joerg Appenzeller, T. J. Watson Research Center, IBM Research.2 Electronic Structure of Graphene 4 2.3 Electronic Structure of Carbon Nanotubes 4 2.4 Transport Properties 6 2.5 Contacts 9 3 Synthesis of Carbon Nanotubes 10 3.1 Synthetic Methods 10 3.2 Growth Mechanisms 12

Joselevich, Ernesto

434

Dispersion toughened silicon carbon ceramics  

DOE Patents [OSTI]

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.

Wei, G.C.

1984-01-01T23:59:59.000Z

435

CARBON NANOTUBE TRANSISTORS: AN EVALUATION  

E-Print Network [OSTI]

CARBON NANOTUBE TRANSISTORS: AN EVALUATION L.C. Castro, D.L. John, and D.L. Pulfrey Department A simple, non-equilibrium model is used to evaluate the likely DC performance of carbon nanotube field and transcon- ductance close to the low-quantum-capacitance limit. Keywords: Carbon nanotubes, field

Pulfrey, David L.

436

4, 99123, 2007 Amazon carbon  

E-Print Network [OSTI]

, 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

Boyer, Edmond

437

Effect of an organic molecular coating on control over the conductance of carbon nanotube channel  

SciTech Connect (OSTI)

It is shown that the coating of carbon nanotubes with molecules with a constant dipole moment changes the conductance of the tubes due to a variation in the structure of energy levels that participate in charge transport. The IV characteristics of the investigated structures exhibit significant dependence of the channel conductance on the gate potential. The observed memory effect of conductance level can be explained by the rearrangement of polar groups and molecules as a whole in an electric field. The higher the dipole moment per unit length and the weaker the intermolecular interaction, the faster the rearrangement process is.

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

438

Project Profile: Direct Supercritical Carbon Dioxide Receiver...  

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

Carbon Dioxide Receiver Development Project Profile: Direct Supercritical Carbon Dioxide Receiver Development National Renewable Energy Laboratory logo The National...

439

Syngas Segregation Induced by Confinement in Carbon Nanotubes: A Combined First-Principles and Monte Carlo Study  

E-Print Network [OSTI]

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

Bao, Xinhe

440

WHAT TO DO ABOUT CLIMATE CHANGE? Slowing the rate of carbon burning won't stop global warming  

E-Print Network [OSTI]

WHAT TO DO ABOUT CLIMATE CHANGE? #12;Slowing the rate of carbon burning won't stop global warming: most CO2 stays in the air over a century, though individual molecules come and go. Global warming. But we need to research it -- starting now. If global warming gets bad, public opinion may suddently flip

Baez, John

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

Controlled Growth of Single-Walled Carbon Nanotubes and Application to CNT-Si Heterojunction Solar Cells  

E-Print Network [OSTI]

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

Maruyama, Shigeo

442

Driving force of water entry into hydrophobic channels of carbon nanotubes: entropy or energy?  

E-Print Network [OSTI]

Spontaneous entry of water molecules inside single-wall carbon nanotubes (SWCNTs) has been confirmed by both simulations and experiments. Using molecular dynamics simulations, we have studied the thermodynamics of filling of a (6,6) carbon nanotube in a temperature range from 273 to 353 K and with different strengths of the nanotube-water interaction. From explicit energy and entropy calculations using the two-phase thermodynamics method, we have presented a thermodynamic understanding of the filling behaviour of a nanotube. We show that both the energy and the entropy of transfer decrease with increasing temperature. On the other hand, scaling down the attractive part of the carbon-oxygen interaction results in increased energy of transfer while the entropy of transfer increases slowly with decreasing the interaction strength. Our results indicate that both energy and entropy favour water entry into (6,6) SWCNTs. Our results are compared with those of several recent studies of water entry into carbon nanotub...

Kumar, Hemant; Maiti, Prabal K

2015-01-01T23:59:59.000Z

443

*** How PAN based Carbon Fibers are  

E-Print Network [OSTI]

*** How PAN based Carbon Fibers are Manufactured *** How Carbon Fiber Material Properties are Achieved *** Carbon Fiber Markets/Applications CarbonFiber AerospaceEngineeringGuestLecture: Friday as a Business Development Manager for Amoco's carbon fiber business unit (manufacturers of T-300 carbon fiber

Hu, Hui

444

6, 34193463, 2006 Black carbon or  

E-Print Network [OSTI]

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

Paris-Sud XI, Université de

445

CALCULATING THE CARBON FOOTPRINT SUPPLY CHAIN FOR  

E-Print Network [OSTI]

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

Su, Xiao

446

Carbon Capture and Storage, 2008  

SciTech Connect (OSTI)

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.

2009-03-19T23:59:59.000Z

447

Carbon Capture and Storage, 2008  

ScienceCinema (OSTI)

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.

None

2010-01-08T23:59:59.000Z

448

Reactions of carbon atoms in pulsed molecular beams  

SciTech Connect (OSTI)

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.

Reisler, H. [Univ. of Southern California, Los Angeles (United States)

1993-12-01T23:59:59.000Z

449

Spectroscopy and reactions of vibrationally excited transient molecules  

SciTech Connect (OSTI)

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

Dai, H.L. [Univ. of Pennsylvania, Philadelphia (United States)

1993-12-01T23:59:59.000Z

450

Contribution of HD molecules in cooling of the primordial gas  

E-Print Network [OSTI]

We study the effects of HD molecules on thermochemical evolution of the primordial gas behind shock waves, possibly arised in the process of galaxy formation. We find the critical shock velocity when deuterium transforms efficiently into HD molecules which then dominate gas cooling. Above this velocity the shocked gas is able to cool down to the temperature of the cosmic microwave background. Under these conditions the corresponding Jeans mass depends only on redshift and initial density of baryons $M_J \\propto \\delta_c^{-0.5} (1+z)^{0.5}$. At $z\\simgt 45$ HD molecules heat shocked gas, and at larger redshift their contribution to thermal evolution becomes negligible.

E. O. Vasiliev; Yu. A. Shchekinov

2005-07-26T23:59:59.000Z

451

Electron Capture and Scaling Anomaly in Polar Molecules  

E-Print Network [OSTI]

We present a new analysis of the electron capture mechanism in polar molecules, based on von Neumann's theory of self-adjoint extensions. Our analysis suggests that it is theoretically possible for polar molecules to form bound states with electrons, even with dipole moments smaller than the critical value D_0 given by 1.63\\times10^{-18} esu cm. This prediction is consistent with the observed anomalous electron scattering in H_2S and HCl, whose dipole moments are smaller than the critical value D_0. We also show that for a polar molecule with dipole moment less than D_0, typically there is only a single bound state, which is in qualitative agreement with observations. We argue that the quantum mechanical scaling anomaly is responsible for the formation of these bound states.

Pulak Ranjan Giri; Kumar S. Gupta; S. Meljanac; A. Samsarov

2007-03-13T23:59:59.000Z

452

Single molecule detection using charge-coupled device array technology  

SciTech Connect (OSTI)

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

Denton, M.B.

1992-07-29T23:59:59.000Z

453

Surface-induced heating of cold polar molecules  

E-Print Network [OSTI]

We study the rotational and vibrational heating of diatomic molecules placed near a surface at finite temperature on the basis of macroscopic quantum electrodynamics. The internal molecular evolution is governed by transition rates that depend on both temperature and position. Analytical and numerical methods are used to investigate the heating of several relevant molecules near various surfaces. We determine the critical distances at which the surface itself becomes the dominant source of heating and we investigate the transition between the long-range and short-range behaviour of the heating rates. A simple formula is presented that can be used to estimate the surface-induced heating rates of other molecules of interest. We also consider how the heating depends on the thickness and composition of the surface.

Stefan Yoshi Buhmann; M. R. Tarbutt; Stefan Scheel; E. A. Hinds

2008-06-18T23:59:59.000Z

454

EB2012-MS-43 ADVANCES IN THE MODELLING OF CARBON/CARBON  

E-Print Network [OSTI]

, 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

Paris-Sud XI, Université de

455

Electrochimica Acta 52 (2007) 39653975 Elucidating differences between carbon paper and carbon  

E-Print Network [OSTI]

of them are carbon-fiber-based porous materials: carbon paper is non-woven, while carbon cloth is wovenElectrochimica Acta 52 (2007) 3965­3975 Elucidating differences between carbon paper and carbon the performance differences between carbon paper (CP) and carbon cloth (CC). Three-dimensional simulations, based

456

Carbon Cycle Discussion After the warm-up quiz, discuss the carbon cycle.  

E-Print Network [OSTI]

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

Carrington, Emily

457

Orientation isotope effect in ionmolecule reactions  

E-Print Network [OSTI]

are listed in Table II. Kuntz and Roach, 15 using the diatomics-in-molecules technique, have calculated the lowest potential energy surface for the Ar+-Hz system. They found that the Ar+-Hz and Ar-Hi surfaces cross in the entrance val ley when... (1969). 14T. F. George and R. J. Suplinskas, J. Chern. Phys. 51, 3666 (1969); ibid. 54, 1037, 1046 (1971). 15p. J. Kuntz and A. C. Roach, J. Chern. Soc. Faraday Trans. 2 68, 259 (1972). 16See, for example, M. J. Henchman, Ion-Molecule Reactions...

Hierl, Peter M.

1977-01-01T23:59:59.000Z

458

Control of charge migration in molecules by ultrashort laser pulses  

E-Print Network [OSTI]

Due to electronic many-body effects, the ionization of a molecule can trigger ultrafast electron dynamics appearing as a migration of the created hole charge throughout the system. Here we propose a scheme for control of the charge migration dynamics with a single ultrashort laser pulse. We demonstrate by fully ab initio calculations on a molecule containing a chromophore and an amine moieties that simple pulses can be used for stopping the charge-migration oscillations and localizing the charge on the desired site of the system. We argue that this control may be used to predetermine the follow-up nuclear rearrangement and thus the molecular reactivity.

Nikolay V. Golubev; Alexander I. Kuleff

2015-02-19T23:59:59.000Z

459

Control of charge migration in molecules by ultrashort laser pulses  

E-Print Network [OSTI]

Due to electronic many-body effects, the ionization of a molecule can trigger ultrafast electron dynamics appearing as a migration of the created hole charge throughout the system. Here we propose a scheme for control of the charge migration dynamics with a single ultrashort laser pulse. We demonstrate by fully ab initio calculations on a molecule containing a chromophore and an amine moieties that simple pulses can be used for stopping the charge-migration oscillations and localizing the charge on the desired site of the system. We argue that this control may be used to predetermine the follow-up nuclear rearrangement and thus the molecular reactivity.

Golubev, Nikolay V

2015-01-01T23:59:59.000Z

460

Subcritical temperature in Bose-Einstein condensates of chiral molecules  

E-Print Network [OSTI]

Bose-Einstein condensation of a sample of non-interacting chiral molecules leads to a non zero optical activity of the condensate and also to a subcritical temperature in the heat capacity. This is due to the internal structure of the molecule which, in our model, is considered as a simple two-state system, characterized by tunneling and parity violation. The predicted singular behavior found for the specific heat, below the condensation temperature, sheds some light on the existence of the so far elusive parity violation energy difference between enantiomers.

Pedro Bargueno; Ricardo Perez de Tudela; Salvador Miret-Artes; Isabel Gonzalo

2010-04-21T23:59:59.000Z

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


461

CARBON DIOXIDE FIXATION.  

SciTech Connect (OSTI)

Solar carbon dioxide fixation offers the possibility of a renewable source of chemicals and fuels in the future. Its realization rests on future advances in the efficiency of solar energy collection and development of suitable catalysts for CO{sub 2} conversion. Recent achievements in the efficiency of solar energy conversion and in catalysis suggest that this approach holds a great deal of promise for contributing to future needs for fuels and chemicals.

FUJITA,E.

2000-01-12T23:59:59.000Z

462

Carbon taxes and India  

SciTech Connect (OSTI)

Using the Indian module of the Second Generation Model 9SGM, we explore a reference case and three scenarios in which greenhouse gas emissions were controlled. Two alternative policy instruments (carbon taxes and tradable permits) were analyzed to determine comparative costs of stabilizing emissions at (1) 1990 levels (the 1 X case), (2) two times the 1990 levels (the 2X case), and (3) three times the 1990 levels (the 3X case). The analysis takes into account India`s rapidly growing population and the abundance of coal and biomass relative to other fuels. We also explore the impacts of a global tradable permits market to stabilize global carbon emissions on the Indian economy under the following two emissions allowance allocation methods: (1) {open_quotes}Grandfathered emissions{close_quotes}: emissions allowances are allocated based on 1990 emissions. (2) {open_quotes}Equal per capita emissions{close_quotes}: emissions allowances are allocated based on share of global population. Tradable permits represent a lower cost method to stabilize Indian emissions than carbon taxes, i.e., global action would benefit India more than independent actions.

Fisher-Vanden, K.A.; Pitcher, H.M.; Edmonds, J.A.; Kim, S.H. [Pacific Northwest Lab., Richland, WA (United States); Shukla, P.R. [Indian Institute of Management, Ahmedabad (India)

1994-07-01T23:59:59.000Z

463

Black Carbons Properties and Role in the Environment: A Comprehensive Review  

E-Print Network [OSTI]

NOAA/ESRL. Mauna Loa Carbon Dioxide Annual Mean Data.H. Can reducing black carbon emissions counteract globalanalysis of black carbon in soils. Global Biogeochem. Cycle.

Shrestha, Gyami

2010-01-01T23:59:59.000Z

464

Carbon Capital: The Political Ecology of Carbon Forestry and Development in Chiapas, Mexico  

E-Print Network [OSTI]

B v + B d ) C T = Total carbon B v = biomass contained indevelopment through carbon sequestration: experiences in2000) Rural livelihoods and carbon management, IIED Natural

Osborne, Tracey Muttoo

2010-01-01T23:59:59.000Z

465

Kinetics and mechanisms of interactions of nitrogen and carbon monoxide with liquid niobium  

SciTech Connect (OSTI)

The kinetics and mechanisms of interactions of N{sub 2} and CO with liquid niobium were investigated in the temperature range of 2,700 to 3,000 K in samples levitated in N{sub 2}/Ar and CO/Ar streams. The nitrogen absorption and desorption processes were found to be second-order with respect to nitrogen concentration, indicating that the rate controlling step is either the adsorption of nitrogen molecules on the liquid surface or dissociation of absorbed nitrogen molecules into adsorbed atoms. The carbon and oxygen dissolution in liquid niobium from CO gas is an exothermic process and the solubilities of carbon and oxygen (C{sub Ce}, C{sub Oe} in at%) are related to the temperature and the partial pressure of CO. The reaction CO {yields} (C) + (O) along with the evaporation of niobium oxide takes place during C and O dissolution, whereas C and O desorption occurs via CO evolution only.

Park, H.G.

1990-01-01T23:59:59.000Z

466

Born-Oppenheimer approximation for a harmonic molecule  

E-Print Network [OSTI]

We apply the Born-Oppenheimer approximation to a harmonic diatomic molecule with one electron. We compare the exact and approximate results not only for the internal degrees of freedom but also for the motion of the center of mass. We address the problem of identical nuclei and discuss other applications of the model and its limitations.

Francisco M. Fernandez

2008-10-13T23:59:59.000Z

467

Single Molecule Study of Cellulase Hydrolysis of Crystalline Cellulose  

SciTech Connect (OSTI)

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

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

2009-12-01T23:59:59.000Z

468

Free energy reconstruction from nonequilibrium single-molecule pulling experiments  

E-Print Network [OSTI]

Free energy reconstruction from nonequilibrium single-molecule pulling experiments Gerhard Hummer also drives the system away from equilibrium. Nevertheless, we show how equilibrium free energy of an extension of Jarzynski's remarkable identity between free energies and the irreversible work. Recent

Weeks, Eric R.

469

Molecule-Mimetic Chemistry and Mesoscale Self-Assembly  

E-Print Network [OSTI]

Molecule-Mimetic Chemistry and Mesoscale Self-Assembly NED B. BOWDEN, MARCUS WECK, INSUNG S. CHOI systems. We suggest that it will be possible to develop complex structures composed of "objects" that self-assemble, shape recognition, and size exclusion can be used to guide the self-assembly of these objects

Prentiss, Mara

470

Noise and Bandwidth Performance of Single-Molecule Biosensors  

E-Print Network [OSTI]

Noise and Bandwidth Performance of Single-Molecule Biosensors J. Rosenstein, S. Sorgenfrei, K. L and nanotube field-effect transistors offer different tradeoffs between bandwidth and noise levels. Here, we on force spectroscopy, such as optical tweezers [4] and atomic force microscopy [5]. New electrochemical

Shepard, Kenneth

471

Molecules, muscles, and machines: Universal performance characteristics of motors  

E-Print Network [OSTI]

Molecules, muscles, and machines: Universal performance characteristics of motors James H. Marden, piston engines, electric motors, and all types of jets. Dependence of force production and stress of materials and mechanisms. Organisms and machines move by exerting forces on their external environment

Marden, James

472

Infrared spectroscopy of diatomic molecules - a fractional calculus approach  

E-Print Network [OSTI]

The eigenvalue spectrum of the fractional quantum harmonic oscillator is calculated numerically solving the fractional Schr\\"odinger equation based on the Riemann and Caputo definition of a fractional derivative. The fractional approach allows a smooth transition between vibrational and rotational type spectra, which is shown to be an appropriate tool to analyze IR spectra of diatomic molecules.

Richard Herrmann

2012-12-12T23:59:59.000Z

473

Optical collection efficiency function in single-molecule detection experiments  

E-Print Network [OSTI]

Optical collection efficiency function in single-molecule detection experiments Jo¨ rg Enderlein and W. Patrick Ambrose The optical collection efficiency function for an optical system on a geometrical optics approx- imation are presented. Comparison is made with exact wave optics calculations

Enderlein, Jörg

474

Interacting dark resonances with plasmonic meta-molecules  

SciTech Connect (OSTI)

Dark state physics has led to a variety of remarkable phenomena in atomic physics, quantum optics, and information theory. Here, we investigate interacting dark resonance type physics in multi-layered plasmonic meta-molecules. We theoretically demonstrate that these plasmonic meta-molecules exhibit sub-natural spectral response, analogous to conventional atomic four-level configuration, by manipulating the evanescent coupling between the bright and dark elements (plasmonic atoms). Using cascaded coupling, we show nearly 4-fold reduction in linewidth of the hybridized resonance compared to a resonantly excited single bright plasmonic atom with same absorbance. In addition, we engineered the geometry of the meta-molecules to realize efficient intramolecular excitation transfer with nearly 80%, on resonant excitation, of the total absorption being localized at the second dark plasmonic atom. An analytical description of the spectral response of the structure is presented with full electrodynamics simulations to corroborate our results. Such multilayered meta-molecules can bring a new dimension to higher quality factor plasmonic resonance, efficient excitation transfer, wavelength demultiplexing, and enhanced non-linearity at nanoscale.

Jha, Pankaj K.; Mrejen, Michael; Kim, Jeongmin; Wu, Chihhui; Yin, Xiaobo; Wang, Yuan [NSF Nanoscale Science and Engineering Center (NSEC), 5130 Etcheverry Hall, University of California, Berkeley, California 94720 (United States); Zhang, Xiang, E-mail: xiang@berkeley.edu [NSF Nanoscale Science and Engineering Center (NSEC), 5130 Etcheverry Hall, University of California, Berkeley, California 94720 (United States); Materials Science Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720 (United States)

2014-09-15T23:59:59.000Z

475

Densities and Compressibilities of Chiral Molecules in the Liquid State  

E-Print Network [OSTI]

polarized light into circularly polarized light. #12;Objective · Measure the speed of sound in Limonene 1360 15 20 25 30 35 40 45 50 55 Speed of Sound (m/s) Temperature ( °C) Speed of Sound in LimoneneDensities and Compressibilities of Chiral Molecules in the Liquid State Imelda Hot and Dr. Amer S

Baltisberger, Jay H.

476

aligned hydrogen molecules: Topics by E-print Network  

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

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

477

Method for joining carbon-carbon composites to metals  

DOE Patents [OSTI]

A method for joining carbon-carbon composites to metals by brazing. Conventional brazing of recently developed carbon-bonded carbon fiber (CBCF) material to a metal substrate is limited by the tendency of the braze alloy to ``wick`` into the CBCF composite rather than to form a strong bond. The surface of the CBCF composite that is to be bonded is first sealed with a fairly dense carbonaceous layer achieved by any of several methods. The sealed surface is then brazed to the metal substrate by vacuum brazing with a Ti-Cu-Be alloy. 1 fig.

Lauf, R.J.; McMillan, A.D.; Moorhead, A.J.

1997-07-15T23:59:59.000Z

478

Method for joining carbon-carbon composites to metals  

DOE Patents [OSTI]

A method for joining carbon-carbon composites to metals by brazing. Conventional brazing of recently developed carbon-bonded carbon fiber (CBCF) material to a metal substrate is limited by the tendency of the braze alloy to "wick" into the CBCF composite rather than to form a strong bond. The surface of the CBCF composite that is to be bonded is first sealed with a fairly dense carbonaceous layer achieved by any of several methods. The sealed surface is then brazed to the metal substrate by vacuum brazing with a Ti-Cu-Be alloy.

Lauf, Robert J. (Oak Ridge, TN); McMillan, April D. (Knoxville, TN); Moorhead, Arthur J. (Knoxville, TN)

1997-01-01T23:59:59.000Z

479

Geologic Carbon Sequestration and Biosequestration (Carbon Cycle 2.0)  

ScienceCinema (OSTI)

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

DePaolo, Don [Director, LBNL Earth Sciences Division

2011-06-08T23:59:59.000Z

480

Carbonation Mechanism of Reservoir Rock by Supercritical Carbon...  

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

chemistrybutchercarbonationmechanism.pdf More Documents & Publications Synchrotron X-ray Studies of Super-critical Carbon Dioxide Reservoir Rock Interfaces Innovative...

Note: This page contains sample records for the topic "molecule ethylene carbonate" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


481

Chemical kinetic considerations for postflame synthesis of carbon nanotubes in premixed flames using a support catalyst  

SciTech Connect (OSTI)

Multiwalled carbon nanotubes (MWCNTs) on a grid supported cobalt nanocatalyst were grown, by exposing it to combustion gases from ethylene/air rich premixed flames. Ten equivalence ratios ({phi}) were investigated, as follows: 1.37, 1.44, 1.47, 1.50, 1.55, 1.57, 1.62, 1.75, 1.82, and 1.91. MWCNT growth could be observed for the range of equivalence ratios between 1.45 and 1.75, with the best yield restricted to the range 1.5-1.6. A one-dimensional premixed flame code with a postflame heat loss model, including detailed chemistry, was used to estimate the gas phase chemical composition that favors MWCNT growth. The results of the calculations show that the mixture, including the water gas shift reaction, is not even in partial chemical equilibrium. Therefore, past discussions of compositional parameters that relate to optimum carbon nanotube (CNT) growth are revised to include chemical kinetic effects. Specifically, rapid departures of the water gas shift reaction from partial equilibrium and changes in mole fraction ratios of unburned C{sub 2} hydrocarbons to hydrogen correlate well with experimentally observed CNT yields. (author)

Gopinath, Prarthana; Gore, Jay [School of Mechanical Engineering, Purdue University, West Lafayette, IN 47907 (United States)

2007-11-15T23:59:59.000Z

482

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

E-Print Network [OSTI]

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 implications of these reactions to silicon-anode based LIB are discussed.

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

2014-01-17T23:59:59.000Z

483

Assessment of Brine Management for Geologic Carbon Sequestration  

E-Print Network [OSTI]

for Geologic Carbon Sequestration. International of Energy. Carbon Sequestration Atlas of the Water Extracted from Carbon Sequestration Projects."

Breunig, Hanna M.

2014-01-01T23:59:59.000Z

484

Carbonate fuel cell anodes  

DOE Patents [OSTI]

A molten alkali metal carbonates fuel cell porous anode of lithium ferrite and a metal or metal alloy of nickel, cobalt, nickel/iron, cobalt/iron, nickel/iron/aluminum, cobalt/iron/aluminum and mixtures thereof wherein the total iron content including ferrite and iron of the composite is about 25 to about 80 percent, based upon the total anode, provided aluminum when present is less than about 5 weight percent of the anode. A process is described for production of the lithium ferrite containing anode by slipcasting.

Donado, R.A.; Hrdina, K.E.; Remick, R.J.

1993-04-27T23:59:59.000Z

485

Carbonate fuel cell anodes  

DOE Patents [OSTI]

A molten alkali metal carbonates fuel cell porous anode of lithium ferrite and a metal or metal alloy of nickel, cobalt, nickel/iron, cobalt/iron, nickel/iron/aluminum, cobalt/iron/aluminum and mixtures thereof wherein the total iron content including ferrite and iron of the composite is about 25 to about 80 percent, based upon the total anode, provided aluminum when present is less than about 5 weight percent of the anode. A process for production of the lithium ferrite containing anode by slipcasting.

Donado, Rafael A. (Chicago, IL); Hrdina, Kenneth E. (Glenview, IL); Remick, Robert J. (Bolingbrook, IL)

1993-01-01T23:59:59.000Z

486

RMOTC - Testing - Carbon Management  

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

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLas ConchasPassive Solar HomePromising Science for1 20115, 2001Data setsSTWAClarke Turner,Carbon

487

Capturing carbon | EMSL  

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

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New Substation Sites Proposed Route BTRICGEGR-N-Capture of Carbon Dioxide

488

Carbon Capture FAQs  

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

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed New Substation Sites Proposed Route BTRICGEGR-N-Capture of CarbonLangmuircarbon

489

ARM - Carbon Dioxide  

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

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformationbudapest Comments? We would love to heartotdngovInstrumentswrf-chem Comments?CampaignCarbon

490

Carbon Fiber Technology Facility  

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

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:YearRound-Up fromDepartmentTie Ltd:June 20154:04-21-2014 (866) 448 - DEPOMeetingIndustriesCarbon

491

Carbon Fiber Consortium | Partnerships | ORNL  

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

in 2011 to accelerate the development and deployment of new, lower cost carbon fiber composite materials. The Consortium draws on the broad experience that the Oak Ridge National...

492

Carbon-assisted flyer plates  

DOE Patents [OSTI]

A laser driven flyer plate utilizing an optical fiber connected to a laser. The end of the optical fiber has a layer of carbon and a metal layer deposited onto it. The carbon layer provides the laser induced plasma which is superior to the plasma produced from most metals. The carbon layer plasma is capable of providing a flatter flyer plate, converting more of the laser energy to driving plasma, promoting a higher flyer plate acceleration, and providing a more uniform pulse behind the plate. In another embodiment, the laser is in optical communication with a substrate onto which a layer of carbon and a layer of metal have been deposited.

Stahl, David B. (Los Alamos, NM); Paisley, Dennis L. (Santa Fe, NM)

1994-01-01T23:59:59.000Z

493

Industrial Carbon Management Initiative (ICMI)  

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

heat in a combustion process while producing a concentrated CO 2 stream to facilitate carbon capture. Chemical looping research efforts can be categorized as: modeling tool...

494

Carbon nanotube IR detectors (SV)  

SciTech Connect (OSTI)

Sandia National Laboratories (Sandia) and Lockheed Martin Corporation (LMC) collaborated to (1) evaluate the potential of carbon nanotubes as channels in infrared (IR) photodetectors; (2) assemble and characterize carbon nanotube electronic devices and measure the photocurrent generated when exposed to infrared light;(3) compare the performance of the carbon nanotube devices with that of traditional devices; and (4) develop and numerically implement models of electronic transport and opto-electronic behavior of carbon nanotube infrared detectors. This work established a new paradigm for photodetectors.

Leonard, F. L.

2012-03-01T23:59:59.000Z

495

Carbon Sequestration Atlas IV Video  

SciTech Connect (OSTI)

The Carbon Sequestration Atlas is a collection of all the storage sites of CO2 such as, petroleum, natural gas, coal, and oil shale.

Rodosta, Traci

2013-04-19T23:59:59.000Z

496

Carbon Sequestration Advisory Committee (Nebraska)  

Broader source: Energy.gov [DOE]

Under this statute, the Director of Natural Resources will document and quantify carbon sequestration and greenhouse emissions reductions associated with agricultural practices, management systems,...

497

Carbon Sequestration Atlas IV Video  

ScienceCinema (OSTI)

The Carbon Sequestration Atlas is a collection of all the storage sites of CO2 such as, petroleum, natural gas, coal, and oil shale.

Rodosta, Traci

2014-06-27T23:59:59.000Z

498

Self-assembling functionalized single-walled carbon nanotubes  

E-Print Network [OSTI]

Single-walled carbon nanotubes Carbon nanotubes (CNTs) arescale synthesis of carbon nanotubes." Nature, Vol.358, 220-Ropes of Metallic Carbon Nanotubes." Science, Vol.273(5274),

Gao, Yan

2011-01-01T23:59:59.000Z

499

In Situ Infrared Spectroscopic Study of Brucite Carbonation in...  

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

Carbonation in Dry to Water-Saturated Supercritical Carbon Dioxide. Abstract: In geologic carbon sequestration, while part of the injected carbon dioxide will dissolve into host...

500

Carbon/Ternary Alloy/Carbon Optical Stack on Mylar as an Optical...  

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

CarbonTernary AlloyCarbon Optical Stack on Mylar as an Optical Data Storage Medium to Potentially Replace Magnetic Tape. CarbonTernary AlloyCarbon Optical Stack on Mylar as an...