National Library of Energy BETA

Sample records for rvp benzene content

  1. Potential Supply Impacts of Removal of 1-Pound RVP Waiver

    E-Print Network [OSTI]

    Patzek, Tadeusz W.

    trends, and current laws and regulations. The EIA's Annual Energy Outlook 2002 (AEO2002) is usedPotential Supply Impacts of Removal of 1-Pound RVP Waiver September 2002 #12;ii Energy Information by the Office of Oil and Gas of the Energy Information Administration. General questions concerning the report

  2. Modeling the natural attenuation of benzene in groundwater impacted by ethanol-blended fuels: Effect of ethanol content

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    Modeling the natural attenuation of benzene in groundwater impacted by ethanol-blended fuels: Effect of ethanol content on the lifespan and maximum length of benzene plumes Diego E. Gomez1 and Pedro 10 March 2009. [1] A numerical model was used to evaluate how the concentration of ethanol

  3. Modeling the natural attenuation of benzene in groundwater impacted by ethanol-blended fuels: Effect of ethanol content

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    -source simulations imply that high-ethanol blends (e.g., E85) pose a lower risk of benzene reaching a receptor via gasoline, 15 years for E10, 9 years for E50, and 3 years for E85), indicating greater natural attenuationModeling the natural attenuation of benzene in groundwater impacted by ethanol-blended fuels

  4. Impact of California Reformulated Gasoline On Motor Vehicle Emissions. 1. Mass Emission Rates

    E-Print Network [OSTI]

    Kirchstetter, Thomas W.; Singer, Brett C.; Harley, Robert A.

    1999-01-01

    0.3 wt %. Distillation temperatures,Tsoand Tg0, and gasolinegasoline; addition of oxygenates; and reductions in distillationgasoline properties included RVP; density; aromatic, alkene, alkane, oxygenate, sulfur, and benzene contents; and distillation

  5. Biofiltration control of VOC emissions: Butane and benzene

    SciTech Connect (OSTI)

    Allen, E.R.

    1995-12-31

    Laboratory studies were conducted on the biological elimination of n-butane and benzene from air streams using activated sludge-treated compost biofilters. Four types of experimental biofilter systems were developed: a bench scale packed tower system used primarily for kinetic studies; a small scale column system used to study the effects of different filter media on n-butane removal; a three stage system used to study benzene elimination; and a static batch biofilter system used to study the effects of temperature, compost water content, compost pH, and initial benzene concentrations on benzene elimination. Removal efficiencies greater than 90% were obtained for n-butane. Removal followed first order kinetics at inlet concentrations less than 25 ppM n-butane and zero order kinetics above 100 ppM n-butane. Removal of benzene followed fractional order kinetics for inlet concentrations from 15 to 200 ppM benzene. Thus, the removal of benzene is both mass transfer and bioreaction limited for the concentration range studied. The removal efficiency of benzene was found to be highly dependent on compost water content, compost pH, and temperature. Compost showed a low capacity for benzene removal, which suggested that degradation of these hydrocarbons required different species of microorganisms.

  6. Drinking Water Problems: Benzene 

    E-Print Network [OSTI]

    Dozier, Monty; Lesikar, Bruce J.

    2009-04-16

    , chlorine, radon and some metals. A typical water softener will not remove benzene from water. Home granular activated carbon systems are usu- ally simple. The activated charcoal is packaged in filter cartridges that are inserted into a purification...

  7. Benzene Monitor System report

    SciTech Connect (OSTI)

    Livingston, R.R.

    1992-10-12

    Two systems for monitoring benzene in aqueous streams have been designed and assembled by the Savannah River Technology Center, Analytical Development Section (ADS). These systems were used at TNX to support sampling studies of the full-scale {open_quotes}SRAT/SME/PR{close_quotes} and to provide real-time measurements of benzene in Precipitate Hydrolysis Aqueous (PHA) simulant. This report describes the two ADS Benzene Monitor System (BMS) configurations, provides data on system operation, and reviews the results of scoping tests conducted at TNX. These scoping tests will allow comparison with other benzene measurement options being considered for use in the Defense Waste Processing Facility (DWPF) laboratory. A report detailing the preferred BMS configuration statistical performance during recent tests has been issued under separate title: Statistical Analyses of the At-line Benzene Monitor Study, SCS-ASG-92-066. The current BMS design, called the At-line Benzene Monitor (ALBM), allows remote measurement of benzene in PHA solutions. The authors have demonstrated the ability to calibrate and operate this system using peanut vials from a standard Hydragard{trademark} sampler. The equipment and materials used to construct the ALBM are similar to those already used in other applications by the DWPF lab. The precision of this system ({+-}0.5% Relative Standard Deviation (RSD) at 1 sigma) is better than the purge & trap-gas chromatograpy reference method currently in use. Both BMSs provide a direct measurement of the benzene that can be purged from a solution with no sample pretreatment. Each analysis requires about five minutes per sample, and the system operation requires no special skills or training. The analyzer`s computer software can be tailored to provide desired outputs. Use of this system produces no waste stream other than the samples themselves (i.e. no organic extractants).

  8. Quantum chromodynamics quark benzene

    E-Print Network [OSTI]

    Jialun Ping; Chengrong Deng; Fan Wang; T. Goldman

    2007-11-28

    A six-quark state with the benzene-like structure is proposed and studied based on color string model. The calculation with the quadratic confinement show that such structure has the lowest energy among the various hidden color six-quark structures proposed so far. Its possible effect on $NN$ scattering is discussed.

  9. Detection of Benzene, Toluene, Ethyl Benzene, and Xylenes (BTEX) Using Toluene Dioxygenase-Peroxidase Coupling Reactions

    E-Print Network [OSTI]

    Chen, Wilfred

    Detection of Benzene, Toluene, Ethyl Benzene, and Xylenes (BTEX) Using Toluene Dioxygenase, whole-cell bioassay for the detection of bioavailable benzene, toluene, ethyl benzene, and xylenes (BTEX of the response obtained from the blank) of 10, 10, 20, and 50 µM was observed for benzene, toluene, ethyl benzene

  10. Fuel Dependence of Benzene Pathways

    SciTech Connect (OSTI)

    Zhang, H; Eddings, E; Sarofim, A; Westbrook, C

    2008-07-14

    The relative importance of formation pathways for benzene, an important precursor to soot formation, was determined from the simulation of 22 premixed flames for a wide range of equivalence ratios (1.0 to 3.06), fuels (C{sub 1}-C{sub 12}), and pressures (20 to 760 torr). The maximum benzene concentrations in 15 out of these flames were well reproduced within 30% of the experimental data. Fuel structural properties were found to be critical for benzene production. Cyclohexanes and C{sub 3} and C{sub 4} fuels were found to be among the most productive in benzene formation; and long-chain normal paraffins produce the least amount of benzene. Other properties, such as equivalence ratio and combustion temperatures, were also found to be important in determining the amount of benzene produced in flames. Reaction pathways for benzene formation were examined critically in four premixed flames of structurally different fuels of acetylene, n-decane, butadiene, and cyclohexane. Reactions involving precursors, such as C{sub 3} and C{sub 4} species, were examined. Combination reactions of C{sub 3} species were identified to be the major benzene formation routes with the exception of the cyclohexane flame, in which benzene is formed exclusively from cascading fuel dehydrogenation via cyclohexene and cyclohexadiene intermediates. Acetylene addition makes a minor contribution to benzene formation, except in the butadiene flame where C{sub 4}H{sub 5} radicals are produced directly from the fuel, and in the n-decane flame where C{sub 4}H{sub 5} radicals are produced from large alkyl radical decomposition and H atom abstraction from the resulting large olefins.

  11. Collision lifetimes of polyatomic molecules at low temperatures: Benzene–benzene vs benzene–rare gas atom collisions

    SciTech Connect (OSTI)

    Cui, Jie; Krems, Roman V.; Li, Zhiying

    2014-10-28

    We use classical trajectory calculations to study the effects of the interaction strength and the geometry of rigid polyatomic molecules on the formation of long-lived collision complexes at low collision energies. We first compare the results of the calculations for collisions of benzene molecules with rare gas atoms He, Ne, Ar, Kr, and Xe. The comparison illustrates that the mean lifetimes of the collision complexes increase monotonically with the strength of the atom–molecule interaction. We then compare the results of the atom–benzene calculations with those for benzene–benzene collisions. The comparison illustrates that the mean lifetimes of the benzene–benzene collision complexes are significantly reduced due to non-ergodic effects prohibiting the molecules from sampling the entire configuration space. We find that the thermally averaged lifetimes of the benzene–benzene collisions are much shorter than those for Xe with benzene and similar to those for Ne with benzene.

  12. Process for the preparation of ethyl benzene

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Houston, TX); Arganbright, Robert P. (Houston, TX); Hearn, Dennis (Houston, TX)

    1995-01-01

    Ethyl benzene is produced in a catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 50.degree. C. to 300.degree. C., using as the catalyst a mole sieve characterized as acidic by feeding ethylene to the catalyst bed while benzene is conveniently added through the reflux to result in a molar excess present in the reactor to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene and diethyl benzene in the bottoms. The bottoms are fractionated, the ethyl benzene recovered and the bottoms are contacted with benzene in the liquid phase in a fixed bed straight pass reactor under conditions to transalkylate the benzene thereby converting most of the diethyl benzene to ethyl benzene which is again separated and recovered.

  13. Process for the preparation of ethyl benzene

    DOE Patents [OSTI]

    Smith, L.A. Jr.; Arganbright, R.P.; Hearn, D.

    1995-12-19

    Ethyl benzene is produced in a catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 50 C to 300 C, using as the catalyst a mole sieve characterized as acidic by feeding ethylene to the catalyst bed while benzene is conveniently added through the reflux to result in a molar excess present in the reactor to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene and diethyl benzene in the bottoms. The bottoms are fractionated, the ethyl benzene recovered and the bottoms are contacted with benzene in the liquid phase in a fixed bed straight pass reactor under conditions to transalkylate the benzene thereby converting most of the diethyl benzene to ethyl benzene which is again separated and recovered. 2 figs.

  14. Sorption Hysteresis of Benzene in Charcoal Particles

    E-Print Network [OSTI]

    Muzzio, Fernando J.

    Sorption Hysteresis of Benzene in Charcoal Particles W A S H I N G T O N J . B R A I D A , , J O (benzene) in water to a maple- wood charcoal prepared by oxygen-limited pyrolysis at 673 K. Gas adsorption m2/g, and appreciable porosity in ultramicropores Benzene sorption- desorption conditions

  15. Interphase Cytogenetics of Workers Exposed to Benzene

    E-Print Network [OSTI]

    California at Berkeley, University of

    Interphase Cytogenetics of Workers Exposed to Benzene Luoping Zhang,1 Nathaniel Rothman,2 Yunxia has been used to demonstrate that the benzene metabolites hydroquinone and 1,2,4-benzenetriol induce FISH procedure to perform cytogenetic analyses on the blood cells of 43 workers exposed to benzene

  16. UNCORRECTEDPROOF Assessment of anaerobic benzene degradation

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    UNCORRECTEDPROOF Assessment of anaerobic benzene degradation potential using 16S rRNA gene Engineering, Rice University, MS 317, Houston, TX 77251-1892, USA. Summary Benzene is a common groundwater-contaminated aquifers. Thus, determining the potential for anaerobic benzene deg- radation is important to assess

  17. Determination of a peak benzene exposure to consumers at typical self-service gasoline stations 

    E-Print Network [OSTI]

    Carapezza, Ted

    1977-01-01

    DETERMINATION OF A PEAK BENZENE EXPOSURE TO CONSUMERS AT TYPICAL SELF-SERVICE GASOLINE STATIONS A Thesis by TED CARAPEZZA Submitted to the Graduate College of Texas A8M University in Partial fulfillment of the requirement for the degree... of MASTER OF SCIENCE December 1977 Major Subject: Industrial Hygiene DETERMINATION OF A PEAK BENZENE EXPOSURE TO CONSUMERS AT TYPICAL SELF-SERVICE GASOLINE STATIONS A Thesis by TED CARAPEZZA Approved as to style and content by: (. (iL, &? Chairman...

  18. Products of the Benzene + O(3P) Reaction

    E-Print Network [OSTI]

    Osborn, David L.

    2010-01-01

    Chemistry Products of the Benzene + O( 3 P) Reaction CraigThe gas-phase reaction of benzene with O( 3 P) is ofthe addition of the O atom to benzene, forming an initial

  19. Numerical analysis of the effect of acetylene and benzene addition to low-pressure benzene-rich flat flames on polycyclic aromatic hydrocarbon formation

    SciTech Connect (OSTI)

    Kunioshi, Nilson; Komori, Seisaku; Fukutani, Seishiro

    2006-10-15

    A modification of the CHEMKIN II package has been proposed for modeling addition of an arbitrary species at an arbitrary temperature to an arbitrary distance from the burner along a flat flame. The modified program was applied to the problem of addition of acetylene or benzene to different positions of a 40-Torr, {phi}=2.4 benzene/O{sub 2}/40%-N{sub 2} premixed flame to reach final equivalence ratios of {phi}=2.5 and 2.681. The results obtained showed that acetylene addition to early positions of the flame led to significant increase in pyrene production rates, but pyrene concentrations were lower in the flames with acetylene addition in both the {phi}=2.5 and 2.681 cases. Addition of benzene to the flame did not alter pyrene production rates in either the {phi}=2.5 or 2.681 cases; however, for {phi}=2.5, pyrene concentrations increased with benzene addition, while for {phi}=2.681, pyrene contents decreased in comparison to the correspondent flames with no addition. Acetylene addition led to a significant increase in pyrene production rates, but the pyrene levels dropped due to increase in the flow velocity. Pyrene production rates were not sensitive to benzene addition, but pyrene contents increased with benzene addition when the flow velocity decreased. These results show that PAH concentration changes accompanying species addition to flames should be interpreted carefully, because an increase or decrease in the content of a PAH species does not necessarily reflect an effect on its formation rate or mechanism. (author)

  20. ON THE PURPORTED FISCHER-TROPSCH ALKYLATION OF BENZENE: THE REACTION OF BENZENE WITH ALUMINUM TRICHLORIDE REVISITED

    E-Print Network [OSTI]

    Benner, Linda S.

    2014-01-01

    of AlC1 3 in boiling benzene. (8) M. Siskin and J. Porcelli,ON THE PURPORTED FISCHER-TROPSCH ALKYLATION OF BENZENE: THEREACTION OF BENZENE WITH ALUMINUM TRICHLORIDE REVISITED

  1. Development of Probabilistic Emission Inventories of Benzene, Formaldehyde

    E-Print Network [OSTI]

    Frey, H. Christopher

    Development of Probabilistic Emission Inventories of Benzene, Formaldehyde And Chromium emission inventories (EI) of benzene, formaldehyde and chromium for the Houston area. This project

  2. Benzene Dimer DOI: 10.1002/anie.201300653

    E-Print Network [OSTI]

    Benzene Dimer DOI: 10.1002/anie.201300653 Structure of the Benzene Dimer--Governed by Dynamics van der Avoird* The benzene dimer is a prototypical system for studying noncovalent interactions in the structure and dynamic behavior of proteins and DNA. The first (1975) experimental study of the benzene dimer

  3. Formation and distribution of benzene on Titan V. Vuitton,1

    E-Print Network [OSTI]

    Yelle, Roger V.

    Formation and distribution of benzene on Titan V. Vuitton,1 R. V. Yelle,1 and J. Cui1 Received 29 a study of the formation and distribution of benzene (C6H6) on Titan. Analysis of the Cassini Mass Spectrometer (INMS) measurements of benzene densities on 12 Titan passes shows that the benzene signal exhibits

  4. Original article 789 Genetic polymorphisms and benzene metabolism in humans

    E-Print Network [OSTI]

    California at Berkeley, University of

    Original article 789 Genetic polymorphisms and benzene metabolism in humans exposed to a wide Range on levels of benzene metabolites in 250 benzene-exposed and 136 control workers in Tianjin, China (for all, catechol, and hydroquinone) and nine polymorphisms in seven genes coding for key enzymes in benzene

  5. Protein Adducts of 1,4-Benzoquinone and Benzene Oxide among Smokers and Nonsmokers Exposed to Benzene in China1

    E-Print Network [OSTI]

    California at Berkeley, University of

    Protein Adducts of 1,4-Benzoquinone and Benzene Oxide among Smokers and Nonsmokers Exposed to Benzene in China1 Karen Yeowell-O'Connell, Nathaniel Rothman, Suramya Waidyanatha, Martyn T. Smith [W. E. B.] Abstract Hemoglobin (Hb) and albumin (Alb) adducts of the benzene metabolites benzene

  6. Batch polymerization of styrene initiated by n-butyllithium in benzene 

    E-Print Network [OSTI]

    Tanlak, Tayfun

    1975-01-01

    BATCH POLYMERIZATION OF STYRENE INITIATED BY n-BUTYLLITHIUM IN BENZENE A Thesis by TAYFUN TANLAK Submitted to the Graduate Co'l1ege of Texas Anil University in partial fu1fi11ment of the requirement for the degree cf MASTER OF SCIENCE... August 1975 Major Subject: Chemica1 Engineering BATCH POLYMERIZATION OF STYRENE INITIATED BY n-BUTYLLITHIUM IN BENZENE A Thesis by TAYFUN TANLAK Approved as to style and content by: Chairman of Committee Head Department Member ~ /z'1tup Member...

  7. Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics

    E-Print Network [OSTI]

    Trevitt, Adam J.

    2010-01-01

    of the CN Radical with Benzene and Toluene: Productare measured for the CN + benzene and CN + toluene reactionsdetection. The CN + benzene reaction rate coefficient at

  8. Instantaneous Chemical Reactions in Benzene and Toluene

    E-Print Network [OSTI]

    Allen, Herman Camp

    1905-06-07

    KU ScholarWorks | The University of Kansas Pre-1923 Dissertations and Theses Collection Instantaneous Chemical Reac- tions in Benzene and Toluene June 7th, 1905 by Herman Camp Allen This work was digitized by the Scholarly Communications program... Chemistry Allen, H.C. 1905 "Instantaneous reactions (chemical) in benzene and toluene". I ! B f O H B M I O A L REACTIONS IN Bt«2F;»F! AND TQLUBMB, Presented to the faculty of the University of Kansas in partial fulfillment of the requirements...

  9. Polyfunctional catalyst for processiing benzene fractions

    SciTech Connect (OSTI)

    G. Byakov; B.D. Zubitskii; B.G. Tryasunov; I.Ya. Petrov

    2009-05-15

    A by-product of the coke industry is a raw benzene fraction benzene- 1 which may serve as for catalytic processes. The paper reports a study on the influence of the composition and temperatures on the activity and selectivity of NiO-V{sub 2}O{sub 6}-MoO{sub 3}/{gamma}-Al{sub 2}O{sub 3} catalysts and the corresponding binary and tertiary subsystems are studied by a pulse method in model reactions; the hydrodealkylating of toluene and the hydrodesulfurizing of thioprhene. The optimal catalyst composition is established. The new catalyst is compared with industrial catalysts.

  10. Pilot-Scale Benzene Retention and Release Demonstration

    SciTech Connect (OSTI)

    Marek, J.C.

    2003-11-10

    During the initial months of In-Tank Precipitation radioactive operation in 1995 the process experienced high rates of tetraphenylborate decomposition with assumed corresponding high rates of benzene generation. In March 1996 after a two month quiescent period, a water addition to Tank 48H resulted in an unexpected benzene release to the tank vapor phase. This was the first time a low energy input resulted in a significant release rate. This led to questions about how benzene, generated in-situ by TPB decomposition, was retained in the surrounding potassium tetraphenylborate slurry. It was postulated the retention mechanism may have changed during the quiescent period prior to March so the benzene present became readily releasable to the vapor phase with low energy input to the slurry or that enough benzene accumulated that some of it was in a different, more releasable form. Readily releasable is a qualitative term defined as a rapid release of benzene at a rate approaching evaporation of a free benzene layer. It is intended to distinguish between benzene in a form with high liquid phase resistance to mass transfer diffusion controlled from benzene in a form with minimal liquid phase resistance to mass transfer free benzene layer evaporation. If a readily releasable form of benzene was present, the vapor space profile during release tests was anticipated to have an initial benzene vapor space concentration peak followed by a lower vapor concentration, longer duration release.

  11. Modeling and Optimal Regulation of Erythropoiesis Subject to Benzene Intoxication

    E-Print Network [OSTI]

    Modeling and Optimal Regulation of Erythropoiesis Subject to Benzene Intoxication H.T. Banks1.C. 27607-5298, email: ColeC@meredith.edu December 20, 2003 Abstract Benzene (C6H6) is a highly flammable, and industrial processes. Benzene increases the incidence of leukemia in humans when they are exposed to high

  12. Modeling Human Metabolism of Benzene Following Occupational and Environmental Exposures

    E-Print Network [OSTI]

    California at Berkeley, University of

    Modeling Human Metabolism of Benzene Following Occupational and Environmental Exposures Sungkyoon) models to investigate nonlinear relationships between levels of benzene metabolites (E,E- muconic acid, S-phenylmercapturic acid, phenol, hydroqui- none, and catechol) and benzene exposure among 386 exposed and control workers

  13. BIOMARKERS IN THE MOLECULAR EPIDEMIOLOGY OF BENZENE-EXPOSED WORKERS

    E-Print Network [OSTI]

    California at Berkeley, University of

    BIOMARKERS IN THE MOLECULAR EPIDEMIOLOGY OF BENZENE-EXPOSED WORKERS Martyn T. Smith Division from workers exposed to high levels of benzene. The goal of these studies is to develop and validate (1) biomarkers of exposure to benzene, such as albumin or hemoglobin adducts; (2) molecular markers

  14. Products of the Benzene + O(3 P) Reaction

    E-Print Network [OSTI]

    Krylov, Anna I.

    Products of the Benzene + O(3 P) Reaction Craig A. Taatjes,*, David L. Osborn, Talitha M. Selby ReceiVed: January 7, 2010 The gas-phase reaction of benzene with O(3 P) is of considerable interest mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which

  15. Lithium-Mediated Benzene Adsorption on Graphene and Graphene Nanoribbons

    E-Print Network [OSTI]

    Hod, Oded

    Lithium-Mediated Benzene Adsorption on Graphene and Graphene Nanoribbons Dana Krepel and Oded Hod Sciences, Tel Aviv University, Tel Aviv 69978, Israel ABSTRACT: The anchoring of benzene molecules-metallic due to charge transfer from the adatom to the electronic system. Upon benzene adsorption, the lithium

  16. Molecular dynamics of liquid benzene via femtosecond pulses laser excitation

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1749 Molecular dynamics of liquid benzene via femtosecond pulses laser excitation J. Etchepare, G moléculaires. Abstract. 2014 We analyse the complex response of liquid benzene to the applied 45 fs FHWM new results obtained by the transient grating temporal behaviour analysis of benzene, a molecule

  17. UNCORRECTEDPROOF Assessment of anaerobic benzene degradation

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    the feasibility of intrin- sic bioremediation. In this work we developed a 16S rRNA biomarker to estimate). Such widespread contamination of potential drinking water sources is a major concern because benzene is a known on intrinsic anaerobic bioremediation processes that proceed without human intervention, and has been selected

  18. Nonlinear diffusion in Acetone-Benzene Solution

    E-Print Network [OSTI]

    Obukhovsky, Vjacheslav V

    2010-01-01

    The nonlinear diffusion in multicomponent liquids under chemical reactions influence has been studied. The theory is applied to the analysis of mass transfer in a solution of acetone-benzene. It has been shown, that the creation of molecular complexes should be taken into account for the explanation of the experimental data on concentration dependence of diffusion coefficients. The matrix of mutual diffusivities has been found and effective parameters of the system have been computed.

  19. Quantification of black carbon in marine systems using the benzene polycarboxylic acid method: a mechanistic and yield study

    E-Print Network [OSTI]

    Ziolkowski, Lori A; Chamberlin, A.R.; Greaves, John; Druffel, Ellen R.M.

    2011-01-01

    and carbon nanotubes using the benzene polycarboxylic acidmarine systems using the benzene polycarboxylic acid method:as sediment or soil. The benzene polycarboxylic acid (BPCA)

  20. Benzene-derived N2-(4-hydroxyphenyl)-deoxyguanosine adduct: UvrABC incision and its conformation in DNA

    E-Print Network [OSTI]

    Hang, Bo

    2010-01-01

    in a historical UK cohort of benzene exposed workers. OccupEnvironmental exposure to benzene: an update. Environ Health2004. Genotoxicity of benzene and its metabolites. Mutat Res

  1. Changes in the peripheral blood transcriptome associated with occupational benzene exposure identified by cross-comparison on two microarray platforms

    E-Print Network [OSTI]

    McHale, Cliona M.

    2009-01-01

    Associated with Occupational Benzene Exposure Identified byY, Dosemeci M, and Linet M. Benzene and lymphohematopoieticamong workers exposed to benzene. Cancer Res 58: 2176-2181,

  2. Mobility of Supercooled liquid Toluene, Ethylbenzene, and Benzene...

    Office of Scientific and Technical Information (OSTI)

    and Benzene near their Glass Transition Temperatures Investigated using Inert Gas Permeation Citation Details In-Document Search Title: Mobility of Supercooled liquid...

  3. Clearing the Air? The Effects of Gasoline Content Regulation on Air Quality

    E-Print Network [OSTI]

    Auffhammer, Maximilian; Kellogg, Ryan

    2009-01-01

    refiners are blending more butane into gasoline than theygasoline. Lidderdale (1999) evaluates the impact of RVP on refining operations and finds that refiners’ summer blending

  4. Resonant ion-dip infrared spectroscopy of the S4 and D2d water octamers in benzene-,,water...8 and benzene2-,,water...8

    E-Print Network [OSTI]

    Zwier, Timothy S.

    Resonant ion-dip infrared spectroscopy of the S4 and D2d water octamers in benzene-,,water...8 and benzene2-,,water...8 Christopher J. Gruenloh, Joel R. Carney, Fredrick C. Hagemeister, Caleb A. Arrington the hydrogen-bonding topologies of two isomers each of the benzene- water)8 and (benzene 2 water)8 gas

  5. Assessment of Potential Benzene Contamination of the Ogallala Aquifer at the Pantex Plant, Texas

    E-Print Network [OSTI]

    Hazen, Terry

    Assessment of Potential Benzene Contamination of the Ogallala Aquifer at the Pantex Plant, Texas (near detection limits) concentrations of volatile organic compounds including benzene, toluene (MCL), measured concentrations of benzene were near or exceeded MCL values. Based on concerns raised

  6. COMMENTS ON McBRIDE'S COMPLETION OF KRONER'S PROOF THAT HYDROGENS OF BENZENE ARE HOMOTOPIC

    E-Print Network [OSTI]

    Balasubramanian, K.

    2014-01-01

    in the set D. G. F. For the benzene problem PG and G.F. areTHAT HYDROGENS OF BENZENE ARE HOMOTOPIC K. BalasubramanianThat Hydrogens of Benzene are Homotopic K. Balasubramanian

  7. Modeling Studies on the Transport of Benzene and H2S in CO2-Water Systems

    E-Print Network [OSTI]

    Zheng, L.

    2011-01-01

    Studies on the Transport of Benzene and H 2 S in CO 2 -WaterSolubility measurements of benzene and the alkylbenzenes inDeguchi, 1987. Solubility benzene-hydrocarbon binary mixture

  8. 28 VOLUME 115 | NUMBER 1 | January 2007 Environmental Health Perspectives Benzene is a ubiquitous environmental conta-

    E-Print Network [OSTI]

    California at Berkeley, University of

    28 VOLUME 115 | NUMBER 1 | January 2007 · Environmental Health Perspectives Research Benzene matter, including cigarette smoking. Air concentra- tions of benzene are typically environments but can exceed 10 ppm in industrial settings where benzene- containing products are used

  9. Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy

    E-Print Network [OSTI]

    Fayer, Michael D.

    Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations the nature and dynamics of the phenol-benzene complex in the mixed solvent, benzene/CCl4. Under thermal used for the phenol-benzene interaction in the MD simulations is in good accord with the highest level

  10. Benzene quadrupolarity and arene-arene interactions Zhengyu Wu and Rainer Glaser*

    E-Print Network [OSTI]

    Glaser, Rainer

    1 Benzene quadrupolarity and arene-arene interactions Zhengyu Wu and Rainer Glaser* Department in employing benzenes as lateral synthons in crystal engineering. We recently synthesized a series of perfectly organic NLO crystals. The benzene-benzene T-contact plays a critical role in stabilizing the crystal

  11. The water-benzene interaction: Insight from electronic structure theories Jie Ma,1,2,3

    E-Print Network [OSTI]

    Alfè, Dario

    The water-benzene interaction: Insight from electronic structure theories Jie Ma,1,2,3 Dario Alfè,2 theories is challenging. Here we assess the ability of a variety of theories to describe a water-benzene- tween water and benzene. Water benzene is an interesting model system because it is a reasonably small

  12. Modeling the Pi-electrons of Benzene as Particles in a Ring Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    Modeling the Pi-electrons of Benzene as Particles in a Ring Frank Rioux In this exercise benzene the electrons is now calculated. The ring circumference is approximated as six benzene carbon-carbon bond 42.8 nm Benzene has a strong electronic transition at about 200 nm. #12;

  13. The synthesis of benzene in the protoplanetary nebula CRL618 Paul M. Woods

    E-Print Network [OSTI]

    Millar, Tom

    The synthesis of benzene in the protoplanetary nebula CRL618 Paul M. Woods Department of PhysicsÆcient for- mation of benzene, C 6 H 6 , occurs. A combination of high temperatures, high densities and high for the interstellar synthesis of benzene. We #12;nd a column density of benzene within a factor of two

  14. ENVIRONMENTAL BENZENE EXPOSURE ASSESSMENT FOR PARENT-CHILD PAIRS IN ROUEN, FRANCE

    E-Print Network [OSTI]

    Boyer, Edmond

    1 ENVIRONMENTAL BENZENE EXPOSURE ASSESSMENT FOR PARENT-CHILD PAIRS IN ROUEN, FRANCE Amin KOUNIALIa environmental benzene exposure. In this study we compared personal benzene exposure and inhalation uptake in a group of children to those of their parents. We also compared levels of urinary benzene metabolites

  15. Modeling Studies on the Transport of Benzene and H2S in CO2-Water Systems

    SciTech Connect (OSTI)

    Zheng, L.; Spycher, N.; Xu, T.; Apps, J.; Kharaka, Y.; Birkholzer, J.T.

    2010-11-05

    In this study, reactive transport simulations were used to assess the mobilization and transport of organics with supercritical CO{sub 2} (SCC), and the co-injection and transport of H{sub 2}S with SCC. These processes were evaluated at conditions of typical storage reservoirs, and for cases of hypothetical leakage from a reservoir to an overlying shallower fresh water aquifer. Modeling capabilities were developed to allow the simulation of multiphase flow and transport of H{sub 2}O, CO{sub 2}, H{sub 2}S, as well as specific organic compounds (benzene), coupled with multicomponent geochemical reaction and transport. This included the development of a new simulator, TMVOC-REACT, starting from existing modules of the TOUGH2 family of codes. This work also included an extensive literature review, calculation, and testing of phase-partitioning properties for mixtures of the phases considered. The reactive transport simulations presented in this report are primarily intended to illustrate the capabilities of the new simulator. They are also intended to help evaluate and understand various processes at play, in a more qualitative than quantitative manner, and only for hypothetical scenarios. Therefore, model results are not intended as realistic assessments of groundwater quality changes for specific locations, and they certainly do not provide an exhaustive evaluation of all possible site conditions, especially given the large variability and uncertainty in hydrogeologic and geochemical parameter input into simulations. The first step in evaluating the potential mobilization and transport of organics was the identification of compounds likely to be present in deep storage formations, and likely to negatively impact freshwater aquifers if mobilized by SCC. On the basis of a literature review related to the occurrence of these organic compounds, their solubility in water and SCC, and their toxicity (as reflected by their maximum contaminant levels MCL), benzene was selected as a key compound for inclusion into numerical simulations. Note that considering additional organic compounds and/or mixtures of such compounds in the simulations was beyond the scope of this study, because of the effort required to research, calculate, and validate the phase-partitioning data necessary for simulations. The injection of CO{sub 2} into a deep saline aquifer was simulated, followed by modeling the leaching of benzene by SCC and transport of benzene to an overlying aquifer along a hypothetical leakage pathway. One- and two-dimensional models were set up for this purpose. The target storage formation was assumed to initially contain about 10{sup -4} ppm benzene. Model results indicate that: (1) SCC efficiently extracts benzene from the storage formation. (2) Assuming equilibrium, the content of benzene in SCC is roportional to the concentration of benzene in the aqueous and solid phases. (3) Benzene may co-migrate with CO{sub 2} into overlying aquifers if a leakage pathway is present. Because the aqueous solubility of benzene in contact with CO{sub 2} is lower than the aqueous solubility of CO{sub 2}, benzene is actually enriched in the CO{sub 2} phase as the plume advances. (4) For the case studied here, the resulting aqueous benzene concentration in the overlying aquifer is on the same order of magnitude as the initial concentration in the storage formation. This generic modeling study illustrates, in a semi-quantitative manner, the possible mobilization of benzene by SCC. The extent to which the mobilization of this organic compound evolves temporally and spatially depends on a large number of controlling parameters and is largely site specific. Therefore, for more 'truly' predictive work, further sensitivity studies should be conducted, and further modeling should be integrated with site-specific laboratory and/or field experimental data. The co-injection of H{sub 2}S with CO{sub 2} into a deep saline aquifer was also simulated. In addition, the model considered leakage of the supercritical CO{sub 2}+H{sub 2}S mixture along a preferential p

  16. Solubilities of butane, vapor pressures, and densities for benzene + cyclohexane, benzene + methanol, and methanol + cyclohexane solutions at 298 K

    SciTech Connect (OSTI)

    Miyano, Yoshimori (Okayama Univ. of Science (Japan)); Hayduk, W. (Univ. of Ottawa, Ontario (Canada))

    1993-04-01

    In this paper the solubilities of butane at a pressure of 101.3 kPa and a temperature of 298.15 K are presented for three mixed solvent solutions: benzene + methanol, cyclohexane + methanol, and benzene + cyclohexane. The densities and vapor pressures are also reported for these solutions at the same conditions. Whereas the benzene + methanol and cyclohexane + methanol mixtures form azeotropic solutions, they are mutually soluble for all compositions of the two solvents. On the other hand, mixtures of cyclohexane and methanol are not mutually soluble but form two immiscible liquid phases for a significant portion of the composition range, but at a higher temperature also form an azeotropic solution.

  17. Hydrology Days 2014 Thermally Enhanced Attenuation of Substituted Benzenes

    E-Print Network [OSTI]

    Collett Jr., Jeffrey L.

    at temperatures ranging from 10°C to 30°C, and biogas production has been monitored. Thus far, substituted benzene microcosms have produced less biogas than previous petroleum microcosm studies. This suggests

  18. Intermolecular CH bond activation of benzene and pyridines by a vanadium(III) alkylidene including a stepwise conversion of benzene to

    E-Print Network [OSTI]

    Baik, Mu-Hyun

    Intermolecular C­H bond activation of benzene and pyridines by a vanadium(III) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Jose G. Andino,a Uriah J. Kilgore,a Maren Pink of benzene and pyridine is observed with (PNP)V(CH2tBu)2 (1), and in the case of benzene, the formation

  19. One-Photon Mass-Analyzed Threshold Ionization Spectroscopy of Bis(6-benzene)chromium and Its Benzene and Ar Clusters

    E-Print Network [OSTI]

    Kim, Sang Kyu

    One-Photon Mass-Analyzed Threshold Ionization Spectroscopy of Bis(6-benzene)chromium and Its Benzene and Ar Clusters Kyo-Won Choi and Sang Kyu Kim* Department of Chemistry and School of Molecular-analyzed threshold ionization (MATI) spectroscopy of bis(6-benzene)chromium is reported. The adiabatic ionization

  20. SYNTHESIS OF THE FULLY PROTECTED PHOSPHORAMIDITE OF THE BENZENE-DNA ADDUCT, N2- (4-HYDROXYPHENYL)-2'-DEOXYGUANOSINE AND INCORPORATION OF THE LATER INTO DNA OLIGOMERS

    E-Print Network [OSTI]

    Huang, Bo

    2008-01-01

    associated with low-level benzene exposure. EpidemiologyC. C. An overview of benzene metabolism. Environ. Healthstudies of human exposure to benzene in China and Europe An

  1. Products of the Benzene + O(3P) Reaction

    SciTech Connect (OSTI)

    Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Meloni, Giovanni; Trevitt, Adam J.; Epifanovsky, Evgeny; Krylov, Anna I.; Sirjean, Baptiste; Dames, Enoch; Wang, Hai

    2009-12-21

    The gas-phase reaction of benzene with O(3P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom, or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O(3P) over the temperature range of 300 to 1000 K and pressure range of 1 to 10 Torr. The reactions were initiated by pulsed-laser photolysis of NO2 in the presence of benzene and helium buffer in a slow-flow reactor, and reaction products were identified by using the multiplexed chemical kinetics photoionization mass spectrometer operating at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory. Phenol and phenoxy radical were detected and quantified. Cyclopentadiene and cyclopentadienyl radical were directly identified for the first time. Finally, ab initio calculations and master equation/RRKM modeling were used to reproduce the experimental branching ratios, yielding pressure-dependent rate expressions for the reaction channels, including phenoxy + H, phenol, cyclopentadiene + CO, which are proposed for kinetic modeling of benzene oxidation.

  2. Soot precursor measurements in benzene and hexane diffusion flames

    SciTech Connect (OSTI)

    Kobayashi, Y.; Furuhata, T.; Amagai, K.; Arai, M.

    2008-08-15

    To clarify the mechanism of soot formation in diffusion flames of liquid fuels, measurements of soot and its precursors were carried out. Sooting diffusion flames formed by a small pool combustion equipment system were used for this purpose. Benzene and hexane were used as typical aromatic and paraffin fuels. A laser-induced fluorescence (LIF) method was used to obtain spatial distributions of polycyclic aromatic hydrocarbons (PAHs), which are considered as soot particles. Spatial distributions of soot in test flames were measured by a laser-induced incandescence (LII) method. Soot diameter was estimated from the temporal change of LII intensity. A region of transition from PAHs to soot was defined from the results of LIF and LII. Flame temperatures, PAH species, and soot diameters in this transition region were investigated for both benzene and hexane flames. The results show that though the flame structures of benzene and hexane were different, the temperature in the PAHs-soot transition region of the benzene flame was similar to that of the hexane flame. Furthermore, the relationship between the PAH concentrations measured by gas chromatography in both flames and the PAH distributions obtained from LIF are discussed. It was found that PAHs with smaller molecular mass, such as benzene and toluene, remained in both the PAHs-soot transition and sooting regions, and it is thought that molecules heavier than pyrene are the leading candidates for soot precursor formation. (author)

  3. A RADIOTRACER TECHNIQUE FOR ADSORPTION AND CATALYSIS STUDIES: APPLICATION TO 14C-BENZENE CHEMISORPTION AND REHYDROGENATION ON Pt(111)

    E-Print Network [OSTI]

    Davis, S.M.

    2014-01-01

    STUDIES: APPLICATION TO 14 C-BENZENE CHEMISORPTION ANDtemperatures for 14 c-benzene chemisorbed on a (111)5689 Fig. 7 1 otm H 2 c- Benzene Rehydrogenotion PH ltD 240°

  4. Changes in the peripheral blood transcriptome associated with occupational benzene exposure identified by cross-comparison on two microarray platforms

    E-Print Network [OSTI]

    Chen, Jinsong

    Changes in the peripheral blood transcriptome associated with occupational benzene exposure Available online 20 January 2009 Keywords: Benzene exposure Gene expression Human blood Toxicogenomics Benzene is an established cause of leukemia, and possibly lymphoma, in humans, but the underlying

  5. An investigation of the thermal degradation mechanisms of a waste tire through chemical analysis including hydrocarbons, benzene derivatives, and Polycyclic

    E-Print Network [OSTI]

    Columbia University

    including hydrocarbons, benzene derivatives, and Polycyclic Aromatic Hydrocarbons (PAHs) at high temperature a GC/MS. Significant Volatile Organic Carbons (VOCs) including benzene derivatives, PAHs, and Hetero

  6. Benzene-derived N2-(4-hydroxyphenyl)-deoxyguanosine adduct: UvrABC incision and its conformation in DNA

    E-Print Network [OSTI]

    Hang, Bo

    2010-01-01

    p- benzoquinone DNA adducts derived from benzene are highlyphenol and hydroquinone derived mainly from diet andendonuclease toward the benzene-derived DNA adduct, pBQ-C.

  7. Synthesis of macroporous poly(styrene-divinyl benzene) microspheres by surfactant reverse micelles swelling method

    E-Print Network [OSTI]

    Gu, Tingyue

    Synthesis of macroporous poly(styrene-divinyl benzene) microspheres by surfactant reverse micelles poly(styrene-divinyl benzene) microspheres with pore size of about 500 nm were prepared by a new method

  8. Supramolecular assemblies of 1,4-benzene diboronic acid on KCl(001)

    E-Print Network [OSTI]

    Boyer, Edmond

    Supramolecular assemblies of 1,4-benzene diboronic acid on KCl(001) Rémy Pawlak, Laurent Nony The self-assembly of benzene diboronic acid molecules on KCl(001) is investigated at room temperature

  9. Sources and distribution of CuO-derived benzene carboxylic acids in soils and sediments

    E-Print Network [OSTI]

    Long, Bernard

    Sources and distribution of CuO-derived benzene carboxylic acids in soils and sediments Angela F vas- cular plant-derived OC, through the environment. The method produces a suite of benzene

  10. Benzene formation in the inner regions of protostellar disks

    E-Print Network [OSTI]

    Paul M. Woods; Karen Willacy

    2006-12-08

    Benzene (c-C6H6) formation in the inner 3 AU of a protostellar disk can be efficient, resulting in high abundances of benzene in the midplane region. The formation mechanism is different to that found in interstellar clouds and in protoplanetary nebulae, and proceeds mainly through the reaction between allene (C3H4) and its ion. This has implications for PAH formation, in that some fraction of PAHs seen in the solar system could be native rather than inherited from the interstellar medium.

  11. Effect of ozonation on the composition of crude coal-tar benzene

    SciTech Connect (OSTI)

    Semenova, S.A.; Patrakov, Y.F.

    2007-05-15

    The effect of ozonation on the composition of crude benzene produced by the coal-tar chemical industry was studied.

  12. New packing in absorption systems for trapping benzene from coke-oven gas

    SciTech Connect (OSTI)

    V.V. Grabko; V.M. Li; T.A. Shevchenko; M.A. Solov'ev

    2009-07-15

    The efficiency of benzene removal from coke-oven gas in absorption units OAO Alchevskkoks with new packing is assessed.

  13. The benzene molecule as a molecular resonant-tunneling transistor M. Di Ventraa)

    E-Print Network [OSTI]

    Pantelides, Sokrates T.

    The benzene molecule as a molecular resonant-tunneling transistor M. Di Ventraa) and S. T of transport through a benzene-1, 4-dithiolate molecule with a third capacitive terminal gate . We find rectification was demonstrated in 1993.2 More recently, Reed et al. investigated the benzene-1, 4-dithiol rings

  14. LETTER TO THE EDITOR Regarding ``Meta-analysis and Causal Inference: A Case Study of Benzene

    E-Print Network [OSTI]

    California at Berkeley, University of

    LETTER TO THE EDITOR Regarding ``Meta-analysis and Causal Inference: A Case Study of Benzene of a causal association between non-Hodgkin lymphoma (NHL) and benzene and between NHL and petroleum refinery identified provide ``further evidence that benzene exposure causes NHL.'' However, his review of each

  15. Chemisorption of benzene and STM dehydrogenation products on Cu,,100... N. Lorente*

    E-Print Network [OSTI]

    Persson, Mats

    Chemisorption of benzene and STM dehydrogenation products on Cu,,100... N. Lorente* Laboratoire of individual chemisorbed benzene molecules on Cu 100 has recently been performed in atomic manipulation experiments J. Phys. Chem. A. 104, 2463 2000 ; Surf. Sci 451, 219 2000 . Benzene dissociates under controlled

  16. Molecular dynamics simulations of the effects of salts on the aggregation properties of benzene in water.

    SciTech Connect (OSTI)

    Smith, P. E.

    2003-07-16

    The specific aims of the project were: to provide an atomic level description of the interactions between benzene, water and ions in solutions. To determine the degree of association between two benzene molecules in aqueous and salt solutions. To investigate the structure and dynamics of the interface between benzene and water or salt solution.

  17. Pulsed-field ionization spectroscopy of high Rydberg states ,,n=50200... -benzene...chromium

    E-Print Network [OSTI]

    Kim, Sang Kyu

    Pulsed-field ionization spectroscopy of high Rydberg states ,,n=50­200... of bis,, 6 -benzene The ionization behavior of the high Rydberg states of bis 6 -benzene chromium in the presence of ac and/or dc are due to np Rydberg series. Based on the understanding of the ionization behavior of bis 6 -benzene

  18. Resonant ion-dip infrared spectroscopy of benzene,,water...9: Expanding the cube

    E-Print Network [OSTI]

    Zwier, Timothy S.

    Resonant ion-dip infrared spectroscopy of benzene­,,water...9: Expanding the cube Christopher J the hydrogen-bonding topologies of three isomers of benzene­ water 9. Isomers I and II, with R2PI transitions shifted, respectively, by 77 and 63 cm 1 from the benzene monomer, have similar intensities in the R2PI

  19. www.rsc.org/analyst The airliquid interface of benzene, toluene, m-xylene, and

    E-Print Network [OSTI]

    ANALYST FULLPAPER THE www.rsc.org/analyst The air­liquid interface of benzene, toluene, m as an Advance Article on the web 10th April 2003 The air­liquid interface and the liquid-phase of benzene-zero hyperpolarizabilities of benzene and 1,3,5-trimethylbenzene. The orientation of the aromatic rings of these compounds

  20. Group Theoretical Analysis of the Vibrational and Electronic Spectrum of Benzene Frank Rioux

    E-Print Network [OSTI]

    Rioux, Frank

    Group Theoretical Analysis of the Vibrational and Electronic Spectrum of Benzene Frank Rioux CSB|SJU This tutorial deals with the interpretation of the vibrational and electronic spectra of benzene using group benzene's electrons. The symmetry of the relevant -electron molecular orbitals is determined by examining

  1. Biochemical Engineering Journal 36 (2007) 239249 Dynamic simulation of benzene vapor treatment by

    E-Print Network [OSTI]

    Daugulis, Andrew J.

    2007-01-01

    Biochemical Engineering Journal 36 (2007) 239­249 Dynamic simulation of benzene vapor treatment microorganisms. The system being considered involves the treatment of benzene vapors by Achro- mobacter biotechnology developed to treat waste gases that has shown promise for removing toxic VOCs, such as benzene

  2. Adsorption of Benzene, Fluorobenzene and Meta-di-Fluorobenzene on Cu(110): A Computational Study

    E-Print Network [OSTI]

    Gao, Hongjun

    Adsorption of Benzene, Fluorobenzene and Meta-di-Fluorobenzene on Cu(110): A Computational Study L.interscience.wiley.com). Abstract: We modelled the adsorption of benzene, fluorobenzene and meta-di-fluorobenzene on Cu(110) by Den geometry is favoured. Function- alizing the benzene ring with one or two fluorine atoms weakens the bonding

  3. Mechanisms for the formation of benzene in the atmosphere of Titan E. H. Wilson1

    E-Print Network [OSTI]

    Atreya, Sushil

    Mechanisms for the formation of benzene in the atmosphere of Titan E. H. Wilson1 and S. K. Atreya (PAHs) are important interstellar species, and their precursor benzene (C6H6) has been detected in our solar system. In this study the possibility of benzene formation in the atmosphere of Titan

  4. UPTAKE, DISTRIBUTION, AND DEPURATION OF 14C-BENZENE IN NORTHERN ANCHOVY, ENGRAULIS MORDAX, AND

    E-Print Network [OSTI]

    UPTAKE, DISTRIBUTION, AND DEPURATION OF 14C-BENZENE IN NORTHERN ANCHOVY, ENGRAULIS MORDAX striped bass, Morone saxatilis, were exposed to sublethal concentra- tions of HC-benzene for 48 h exhibited a rapid uptake over a wide range of benzene concentrations in the water column. Accumulation

  5. EFFECTS OF BENZENE (A TOXIC COMPONENT OF PETROLEUM) ON SPAWNING PACIFIC HERRING, CLUPEA HARENGUS PALLASI

    E-Print Network [OSTI]

    EFFECTS OF BENZENE (A TOXIC COMPONENT OF PETROLEUM) ON SPAWNING PACIFIC HERRING, CLUPEA HARENGUS and larvae through yolk absorption, 43%. Exposure to benzene also induced premature spawning and resulted-labeled benzene and/or metabolites in ovarian eggs (14 times initial concentration in water in 24-48 h; 1.4 ILlig

  6. Physiologically Based Pharmacokinetic Modeling of Benzene Metabolism in Mice through Extrapolation

    E-Print Network [OSTI]

    Physiologically Based Pharmacokinetic Modeling of Benzene Metabolism in Mice through Extrapolation of Toxicology, Research Triangle Park, North Carolina Abstract Benzene (C 6 H 6 ) is a highly flammable, and industrial processes. Benzene causes leukemia in humans when they are exposed to high doses for extended

  7. A Multicompartment LiverBased Pharmacokinetic Model for Benzene and Its Metabolites in Mice

    E-Print Network [OSTI]

    A Multicompartment Liver­Based Pharmacokinetic Model for Benzene and Its Metabolites in Mice Cammey Department of Mathematics, North Carolina State University, Raleigh, N.C. May 23, 2002 Abstract Benzene, cigarette smoke, and industrial processes. After uptake into the body, benzene undergoes a series

  8. Electronvibration coupling in time-dependent density-functional theory: Application to benzene

    E-Print Network [OSTI]

    Bertsch George F.

    Electron­vibration coupling in time-dependent density-functional theory: Application to benzene G://jcp.aip.org/about/rights_and_permissions #12;Electron­vibration coupling in time-dependent density-functional theory: Application to benzene G for electron­vibration coupling, we apply it to the optical properties of the ­ * transitions in benzene

  9. Modeling benzene plume elongation mechanisms exerted by ethanol using RT3D with a general

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    Modeling benzene plume elongation mechanisms exerted by ethanol using RT3D with a general substrate ethanol on benzene fate and transport in fuel-contaminated groundwater and to discern the most influential benzene plume elongation mechanisms. The model, developed as a module for the Reactive Transport in 3

  10. Biochemical Engineering Journal 36 (2007) 250261 Dynamic simulation of benzene vapor treatment by a

    E-Print Network [OSTI]

    Daugulis, Andrew J.

    2007-01-01

    Biochemical Engineering Journal 36 (2007) 250­261 Dynamic simulation of benzene vapor treatment for the treatment of benzene waste gases by Achromobacter xylosoxidans Y234 with n-hexadecane as an immiscible, organic phase. Model calibration was performed to account for observed enhancements of benzene

  11. Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum chemistry study using

    E-Print Network [OSTI]

    Sussman, Joel L.

    Noncovalent interaction or chemical bonding between alkaline earth cations and benzene? A quantum earth metal ion±benzene complexes were performed using the density-functional theory (DFT) B3LYP and ab of the al- kaline earth metal ions to benzene may be attributed to s±p and p±p interactions, which are signi

  12. Measurements of benzene concentration by difference-frequency laser absorption spectroscopy

    E-Print Network [OSTI]

    Measurements of benzene concentration by difference-frequency laser absorption spectroscopy Weidong Chen, Fabrice Cazier, Frank Tittel, and Daniel Boucher Measurements of benzene concentration based:sapphire lasers in a GaSe nonlinear optical crystal. A minimum benzene concentration detection of 11.5 parts

  13. A Multicompartment Liver-Based Pharmacokinetic Model for Benzene and Its Metabolites in Mice

    E-Print Network [OSTI]

    A Multicompartment Liver-Based Pharmacokinetic Model for Benzene and Its Metabolites in Mice Cammey Department of Mathematics, North Carolina State University, Raleigh, N.C. May 23, 2002 Abstract Benzene, cigarette smoke, and industrial processes. After uptake into the body, benzene undergoes a series

  14. Kekule's Benzene Structure: A Case Study of Teaching Usefulness of Symmetry

    E-Print Network [OSTI]

    Kreinovich, Vladik

    Kekul´e's Benzene Structure: A Case Study of Teaching Usefulness of Symmetry Olga Kosheleva1 at El Paso 500 W. University El Paso, TX 79968, USA olgak@utep.edu, vladik@utep.edu Abstract Benzene is one of the basic building blocks of organic molecules. One of the reasons for benzene's ubiquity

  15. Protonated Water Dimer on Benzene: Standing Eigen or Crouching Huan Wang and Noam Agmon*

    E-Print Network [OSTI]

    Agmon, Noam

    Protonated Water Dimer on Benzene: Standing Eigen or Crouching Zundel? Huan Wang and Noam Agmon to a neutral benzene molecule are a reductionist model for protons at hydrophobic surfaces, which water dimer ("Zundel ion") on benzene, whose gas-phase messenger IR spectrum has been previously

  16. Femtosecond Near-Infrared Laser Desorption of Multilayer Benzene on Pt{111}: A Molecular Newton's Cradle?

    E-Print Network [OSTI]

    Levis, Robert J.

    Femtosecond Near-Infrared Laser Desorption of Multilayer Benzene on Pt{111}: A Molecular Newton desorption of multilayers of benzene adsorbed on Pt{111} are reported as a function of laser intensity, which by a thermally assisted DIET excitation in the chemisorbed layer, and followed by energy transfer from the Pt-benzene

  17. OH-initiated oxidation of benzene Part I. Phenol formation under atmospheric conditions

    E-Print Network [OSTI]

    OH-initiated oxidation of benzene Part I. Phenol formation under atmospheric conditions Rainer-radical initiated oxidation of benzene was studied in two simulation chambers: (1) the large-volume outdoor chamber-red spectroscopy (FTIR) were used to simultaneously measure phenol and benzene. The second study used only FTIR

  18. Discovery of benzene cation in a very long-lived excited electronic state Myung Soo Kima)

    E-Print Network [OSTI]

    Kim, Myung Soo

    Discovery of benzene cation in a very long-lived excited electronic state Myung Soo Kima) and Chan, University of Suwon, Suwon 440-600, Korea Received 19 May 2000; accepted 8 September 2000 Presence of benzene chemistry. © 2000 American Institute of Physics. S0021-9606 00 01745-1 I. INTRODUCTION The benzene molecular

  19. Distorted benzene bearing two bulky substituents on adjacent positions: structure of

    E-Print Network [OSTI]

    Kaszynski, Piotr

    Distorted benzene bearing two bulky substituents on adjacent positions: structure of 1,2-bis(1,2-dicarba-closo-dodecaboran-1-yl)benzene Yasuyuki Endo,a,* Chalermkiat Songkram,b Kiminori Ohta,a Piotr analysis of 1,2-bis(o-carboranyl)benzene were performed to examine the steric effects of the two extremely

  20. Physiologically Based Pharmacokinetic (PBPK) Modeling of Benzene in Humans: A Bayesian Approach

    E-Print Network [OSTI]

    Physiologically Based Pharmacokinetic (PBPK) Modeling of Benzene in Humans: A Bayesian Approach , Suramya Waidyanatha , and Paul M. Schlosser§§ January 12, 2005 Abstract Benzene is myelotoxic and causes periods; however, leukemia risks in humans at lower exposures are uncertain. Benzene occurs widely

  1. Using urinary biomarkers to elucidate dose-related patterns of human benzene metabolism

    E-Print Network [OSTI]

    California at Berkeley, University of

    Using urinary biomarkers to elucidate dose-related patterns of human benzene metabolism Sungkyoon; Fax: þ1 919 966 0521; Email: stephen_rappaport@unc.edu Although the toxicity of benzene has been, particularly at low levels of exposure. We investigated unmetabolized benzene in urine (UBz) and all major

  2. The Mechanism of Benzene-induced Leukemia: A Hypothesis and Speculations on

    E-Print Network [OSTI]

    California at Berkeley, University of

    The Mechanism of Benzene-induced Leukemia: A Hypothesis and Speculations on the Causes of Leukemia hypothesis for benzene-induced leukemia is proposed. Key components of the hypothesis include a) activation of benzene in the liver to phenolic metabolites; b) transport of these metabo- lites to the bone marrow

  3. Carcinogenesis vol.19 no.9 pp.15651571, 1998 Hemoglobin and albumin adducts of benzene oxide among

    E-Print Network [OSTI]

    California at Berkeley, University of

    Carcinogenesis vol.19 no.9 pp.1565­1571, 1998 Hemoglobin and albumin adducts of benzene oxide among workers exposed to high levels of benzene Karen Yeowell-O'Connell, Nathaniel Rothman1, Martyn T.Smith2_rappaport@unc.edu Benzene oxide (BO) reacts with cysteinyl residues in hemo- globin (Hb) and albumin (Alb) to form protein

  4. Grain boundary premelting in crystalline benzene as studied by proton N.M.R.

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    2489 Grain boundary premelting in crystalline benzene as studied by proton N.M.R. C. J. Craven. 2014 The phenomenon of premelting has been investigated by proton n.m.r. in polycrystalline benzene in the case of polycrystalline benzene in which the molecular dynamics feature is essentially analogous

  5. Response to Comment on "Adsorption and Electronic States of Benzene on Ordered MgO

    E-Print Network [OSTI]

    Goodman, Wayne

    Response to Comment on "Adsorption and Electronic States of Benzene on Ordered MgO and Al2O3 Thin on the electronic states of benzene adsorbed on two metal oxides,1 particularly for pointing out a reference to recent work on the vibronic spectra of solid benzene,2 the dearth of which we lamented

  6. 946 volume 117 | number 6 | June 2009 Environmental Health Perspectives Benzene is an important industrial chem-

    E-Print Network [OSTI]

    California at Berkeley, University of

    946 volume 117 | number 6 | June 2009 · Environmental Health Perspectives Research Benzene smoke [International Agency for Research on Cancer (IARC) 1989]. In fact, benzene is truly ubiq- uitous million in some workplaces (IARC 1989; Wallace 1996). This is worrisome because benzene causes leukemia

  7. Population Toxicokinetics of Benzene Frederic Yves Bois,1 Elise T. Jackson,1 Kaija Pekari,2 and

    E-Print Network [OSTI]

    California at Berkeley, University of

    Population Toxicokinetics of Benzene Frederic Yves Bois,1 Elise T. Jackson,1 Kaija Pekari,2 these problems. As an example, we modeled the distribution and metabolism of benzene in humans. We derive statistical distributions for the parameters of a physiological model of benzene, on the basis of existing

  8. Assessment of dermal exposure to benzene and toluene in shoe manufacturing by activated carbon cloth patches

    E-Print Network [OSTI]

    California at Berkeley, University of

    Assessment of dermal exposure to benzene and toluene in shoe manufacturing by activated carbon activated carbon cloth (ACC) patches to study the probability and extent of dermal exposure to benzene for the contribution from the air through passive absorption of benzene and toluene on the ACC patches. Systemic

  9. Electronvibration coupling in time-dependent density-functional theory: Application to benzene

    E-Print Network [OSTI]

    Bertsch George F.

    Electron­vibration coupling in time-dependent density-functional theory: Application to benzene G for electron­vibration coupling, we apply it to the optical properties of the ­ * transitions in benzene with the electronic excitations. In this work, we have chosen the benzene model for an exploratory study

  10. Electron Transfer Catalyzed [2 + 2] Cycloreversion of Benzene G. Devi Reddy and Olaf Wiest*

    E-Print Network [OSTI]

    Hudlicky, Tomas

    Electron Transfer Catalyzed [2 + 2] Cycloreversion of Benzene Dimers G. Devi Reddy and Olaf Wiest, Florida 32611-7200 Received December 8, 1998 The catalysis of the [2 + 2] cycloreversion of the anti-o,o-benzene dimer 1 and the syn-o,o- naphthalene-benzene dimer 2 through thermal and photoinduced electron transfer

  11. Anaerobic Benzene Oxidation in the Fe(III) Reduction Zone of

    E-Print Network [OSTI]

    Lovley, Derek

    Anaerobic Benzene Oxidation in the Fe(III) Reduction Zone of Petroleum-Contaminated Aquifers R O B North, University of Massachusetts, Amherst, Massachusetts 01003 The potential for anaerobic benzene. [14C]Benzene was not oxidized to 14CO2 at most sites examined, which is consistent with previous

  12. Low temperature oxidation of benzene and toluene in mixture with ndecane

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Low temperature oxidation of benzene and toluene in mixture with ndecane Olivier Herbinet Abstract The oxidation of two blends, benzene/ndecane and toluene/ndecane, was studied in a jetstirred of benzene, only phenol could be quantified. In the case of toluene, significant amounts

  13. Benzene Increases Aneuploidy in the Lymphocytes of Exposed Workers: A Comparison of Data Obtained by

    E-Print Network [OSTI]

    California at Berkeley, University of

    Benzene Increases Aneuploidy in the Lymphocytes of Exposed Workers: A Comparison of Data Obtained Benzene is an established human leukemogen that increases the level of chromosome aberrations in lym and 8 in healthy benzene-exposed human subjects. Metaphase and interphase cells from the peripheral

  14. An Epidemiologic Study of Early Biologic Effects of Benzene in Chinese Workers

    E-Print Network [OSTI]

    California at Berkeley, University of

    An Epidemiologic Study of Early Biologic Effects of Benzene in Chinese Workers Nathaniel Rothman,1 and Anti-Epidemic Center, Shanghai, China Benzene is a recognized hematotoxin and leukemogen, but its a cross-sectional study of 44 healthy workers currently exposed to benzene (median 8-hr time

  15. Modulation of the Toxicity and Macromolecular Binding of Benzene Metabolites by NAD(P)H:Quinone

    E-Print Network [OSTI]

    California at Berkeley, University of

    Articles Modulation of the Toxicity and Macromolecular Binding of Benzene Metabolites by NAD, San Francisco, California 94143-0560 Received April 17, 1998 Benzene is oxidized in the liver of benzene metabolite toxicity. NQO1 expression reduced a class of hydroquinone- and benzenetriol-induced DNA

  16. Decreased levels of CXC-chemokines in serum of benzene-exposed workers identified by

    E-Print Network [OSTI]

    California at Berkeley, University of

    Decreased levels of CXC-chemokines in serum of benzene-exposed workers identified by array (received for review October 3, 2004) Benzene is an important industrial chemical and environmental contaminant that causes leukemia. To obtain mechanistic insight into benzene's mechanism of action, we

  17. Current Collapse in Tunneling Transport through Benzene M. H. Hettler,1

    E-Print Network [OSTI]

    Current Collapse in Tunneling Transport through Benzene M. H. Hettler,1 W. Wenzel,1 M. R. Wegewijs; published 20 February 2003) We investigate the electrical transport through a system of benzene coupled model for the electrons of the benzene is derived that includes general two-body interactions. After

  18. Benzene is an important industrial chemical (> 2 billion gallons produced annually in the

    E-Print Network [OSTI]

    California at Berkeley, University of

    Benzene is an important industrial chemical (> 2 billion gallons produced annually in the United leukemia (Snyder 2002). However, the mechanisms of benzene-induced hematotoxicity and leukemo- genesis further light on these mechanisms and better understand the risk benzene poses, we examined the effects

  19. Negative Differential Conductance in a Benzene-Molecular Device Maarten R. Wegewijs1

    E-Print Network [OSTI]

    Negative Differential Conductance in a Benzene-Molecular Device Maarten R. Wegewijs1 , Matthias (Received August 14, 2002) KEYWORDS: molecular, tunneling, transport, benzene, blocking 1. Introduction of the molecular orbitals leads to nontrivial current voltage (I-V ) characteristics.6,7) Using benzene

  20. Evidence of a tilted columnar structure for mesomorphic phases of benzene-hexa-n-alkanoates

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1285 Evidence of a tilted columnar structure for mesomorphic phases of benzene-hexa-n-alkanoates F. 2014 Optical observations on the mesomorphs of benzene-hexa-n-alkanoates, and their admixtures with benzene, show that the planes of these discotic molecules are not perpendicular to the columns in which

  1. Viscosity and reptation time in polystyrene-benzene semidilute solutions M. Adam and M. Delsanti

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    L-523 Viscosity and reptation time in polystyrene-benzene semidilute solutions M. Adam and M viscosity ~ and reptation time TR in semidilute polystyrene-benzene solutions. We have obtained, our aim is to study the viscoelastic properties of polystyrene-benzene systems in a well defined

  2. Two-dimensional 1,3,5-Tris(4-carboxyphenyl)benzene self-assembly at

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Two-dimensional 1,3,5-Tris(4-carboxyphenyl)benzene self-assembly at the 1-phenyloctane-assembly of star-shaped 1,3,5-Tris(4-carboxyphenyl)benzene molecules is investigated. Scanning tunneling microscopy.22 showed that 1,3,5-Tris(4-carboxyphenyl)benzene star-shaped molecules can form two distinc self

  3. Molecular Dynamics Study of a Surfactant-Mediated Decane-Water Interface: Effect of Molecular Architecture of Alkyl Benzene Sulfonate

    E-Print Network [OSTI]

    Goddard III, William A.

    Architecture of Alkyl Benzene Sulfonate Seung Soon Jang, Shiang-Tai Lin, Prabal K. Maiti, Mario Blanco the attachment position of benzene sulfonate on the hexadecane backbone, at the decane-water interface benzene sulfonates, denoted by m-C16, indicating a benzene sulfonate group attached to the mth carbon

  4. PHYSICAL REVIEW B 86, 245405 (2012) Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding

    E-Print Network [OSTI]

    Alavi, Ali

    2012-01-01

    PHYSICAL REVIEW B 86, 245405 (2012) Benzene adsorbed on metals: Concerted effect of covalency, but the role of the vdW energy in chemisorbed systems remains unclear. Here we study the interaction of benzene of covalently bonded benzene than they do when benzene is physisorbed. Comparison to experimental data

  5. Synthesis, Structure, and Reactivity of O-Donor Ir(III) Complexes: C-H Activation Studies with Benzene

    E-Print Network [OSTI]

    Goddard III, William A.

    with Benzene Gaurav Bhalla, Xiang Yang Liu, Jonas Oxgaard, William A. Goddard, III, and Roy A. Periana. All the R-Ir-Py complexes undergo quantitative, intermolecular CH activation reactions with benzene to benzene to generate a discrete benzene complex, cis-R-Ir-PhH; and (D) rapid C-H cleavage. Kinetic isotope

  6. Electronic structure of the benzene dimer cation Piotr A. Pieniazek, Anna I. Krylov, and Stephen E. Bradforth

    E-Print Network [OSTI]

    Krylov, Anna I.

    Electronic structure of the benzene dimer cation Piotr A. Pieniazek, Anna I. Krylov, and Stephen E-0482 Received 20 March 2007; accepted 22 May 2007; published online 31 July 2007 The benzene and benzene dimer benzene. Both sandwich and t-shaped structures feature intense charge resonance bands, whose location

  7. Binding Energies in Benzene Dimers: Nonlocal Density Functional Calculations

    E-Print Network [OSTI]

    Aaron Puzder; Maxime Dion; David C. Langreth

    2005-09-15

    The interaction energy and minimum energy structure for different geometries of the benzene dimer has been calculated using the recently developed nonlocal correlation energy functional for calculating dispersion interactions. The comparison of this straightforward and relatively quick density functional based method with recent calculations can elucidate how the former, quicker method might be exploited in larger more complicated biological, organic, aromatic, and even infinite systems such as molecules physisorbed on surfaces, and van der Waals crystals.

  8. Tip-contact related low-bias negative differential resistance and rectifying effects in benzene–porphyrin–benzene molecular junctions

    SciTech Connect (OSTI)

    Cheng, Jue-Fei; Zhou, Liping E-mail: leigao@suda.edu.cn; Liu, Man; Yan, Qiang; Han, Qin; Gao, Lei E-mail: leigao@suda.edu.cn

    2014-11-07

    The electronic transport properties of benzene–porphyrin–benzene (BPB) molecules coupled to gold (Au) electrodes were investigated. By successively removing the front-end Au atoms, several BPB junctions with different molecule-electrode contact symmetries were constructed. The calculated current–voltage (I–V) curves depended strongly on the contact configurations between the BPB molecules and the Au electrodes. In particular, a significant low-voltage negative differential resistance effect appeared at ?0.3 V in the junctions with pyramidal electrodes on both sides. Along with the breaking of this tip-contact symmetry, the low-bias negative differential resistance effect gradually disappeared. This tip-contact may be ideal for use in the design of future molecular devices because of its similarity with experimental processes.

  9. Palladium-Catalyzed Direct Functionalization of Aromatic C-H Bonds: Development of Methods for Direct Amination and Mechanistic Studies of Direct Arylation of Benzene and Pyridine N-Oxide

    E-Print Network [OSTI]

    Tan, Yichen

    2013-01-01

    barrier of the reactions of benzene with phosphine-ligatedStudy on Direct Arylation of Benzene ………………..95-142proposed, and reaction of benzene and phthalimide in the

  10. Modeling theta-theta Interactions with the Effective Fragment Potential Method: The Benzene Dimer and Substituents

    SciTech Connect (OSTI)

    Toni Smithl; Lyudmila V. Slipchenko; Mark S. Gordon

    2008-02-27

    This study compares the results of the general effective fragment potential (EFP2) method to the results of a previous combined coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] and symmetry-adapted perturbation theory (SAPT) study [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690] on substituent effects in {pi}-{pi} interactions. EFP2 is found to accurately model the binding energies of the benzene-benzene, benzene-phenol, benzene-toluene, benzene-fluorobenzene, and benzene-benzonitrile dimers, as compared with high-level methods [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690], but at a fraction of the computational cost of CCSD(T). In addition, an EFP-based Monte Carlo/simulated annealing study was undertaken to examine the potential energy surface of the substituted dimers.

  11. Occupational Exposure to Benzene from Painting with Epoxy and Other High Performance Coatings

    SciTech Connect (OSTI)

    JAHN, STEVEN

    2005-04-20

    Following the discovery of trace benzene in paint products, an assessment was needed to determine potential for benzene exposures to exceed the established ACGIH Threshold Limit Value (TLV) during painting operations. Sample data was collected by area industrial hygienists for benzene during routine maintenance and construction activities at Savannah River Site. A set of available data from the IH database, Sentry, was analyzed to provide guidance to the industrial hygiene staff and draw conclusions on the exposure potential during typical painting operations.

  12. Quantum/Classical Mechanical Comparison of Cation-Interactions between Tetramethylammonium and Benzene

    E-Print Network [OSTI]

    Sussman, Joel L.

    and Benzene Clifford Felder, Hua-Liang Jiang,,§,|, Wei-Liang Zhu,§,| Kai-Xian Chen,§ Israel Silman, Simone A-methyl groups with a benzene ring, by use of density-functional theory (DFT) methods B3LYP/6-31G* and B3LYP/6 profiles of the complex as benzene was moved away from TMA in 0.2 Å intervals. Hence it is possible to use

  13. Degradative capacities and bioaugmentation potential of an anaerobic benzene-degrading bacterium strain DN11

    SciTech Connect (OSTI)

    Yuki Kasai; Yumiko Kodama; Yoh Takahata; Toshihiro Hoaki; Kazuya Watanabe

    2007-09-15

    Azoarcus sp. strain DN11 is a denitrifying bacterium capable of benzene degradation under anaerobic conditions. The present study evaluated strain DN11 for its application to bioaugmentation of benzene-contaminated underground aquifers. Strain DN11 could grow on benzene, toluene, m-xylene, and benzoate as the sole carbon and energy sources under nitrate-reducing conditions, although o- and p-xylenes were transformed in the presence of toluene. Phenol was not utilized under anaerobic conditions. Kinetic analysis of anaerobic benzene degradation estimated its apparent affinity and inhibition constants to be 0.82 and 11 {mu}M, respectively. Benzene-contaminated groundwater taken from a former coal-distillation plant site in Aichi, Japan was anaerobically incubated in laboratory bottles and supplemented with either inorganic nutrients (nitrogen, phosphorus, and nitrate) alone, or the nutrients plus strain DN11, showing that benzene was significantly degraded only when DN11 was introduced. Denaturing gradient gel electrophoresis of PCR-amplified 16S rRNA gene fragments, and quantitative PCR revealed that DN11 decreased after benzene was degraded. Following the decrease in DN11 16S rRNA gene fragments corresponding to bacteria related to Owenweeksia hongkongensis and Pelotomaculum isophthalicum, appeared as strong bands, suggesting possible metabolic interactions in anaerobic benzene degradation. Results suggest that DN11 is potentially useful for degrading benzene that contaminates underground aquifers at relatively low concentrations. 50 refs., 6 figs., 1 tab.

  14. Reactor simulation of benzene ethylation and ethane dehydrogenation catalyzed by ZSM-5: A multiscale approach

    E-Print Network [OSTI]

    Bell, Alexis

    Reactor simulation of benzene ethylation and ethane dehydrogenation catalyzed by ZSM-5 is the extension of our continuum model to include the dehydrogenation of ethane. The parameters describing

  15. Benzene Generation Testing for Tank 48H Waste Disposition

    SciTech Connect (OSTI)

    Peters, T

    2005-05-13

    In support for the Aggregation option1, researchers performed a series of tests using actual Tank 48H slurries. The tests were designed to examine potential benzene generation issues if the Tank 48H slurry is disposed to Saltstone. Personnel used the archived Tank 48H sample (HTF-E-03-127, collected September 17, 2003) for the experiments. The tests included a series of three experiments (Tests A, B, and F) performed in duplicate, giving a total of six experiments. Test A used Tank 48H slurry mixed with {approx}20:1 with Defense Waste Processing Facility (DWPF) Recycle from Tanks 21H and 22H. Test B used Tank 48H slurry mixed with {approx}2.7:1 with DWPF Recycle from Tanks 21H and 22H, while Test F used Tank 48H slurry as-is. Tests A and B occurred at 45 C, while Test F occurred at 55 C. Over a period of 8 weeks, personnel collected samples for analysis, once per week. Each sample was tested with the in-cell gamma counter. The researchers noted a decline in the cesium activity in solution which is attributed to temperature dependence of the complex slurry equilibrium. Selected samples were sent to ADS for potassium, boron, and cesium analysis. The benzene generation rate was inferred from the TPB destruction which is indirectly measured by the in-growth of cesium, potassium or boron. The results of all the analyses reveal no discernible in-growth of radiocesium, potassium or boron, indicating no significant tetraphenylborate (TPB) decomposition in any of the experiments. From boron measurements, the inferred rate of TPB destruction remained less than 0.332 mg/(L-h) implying a maximum benzene generation rate of <0.325 mg/(L-h).

  16. Ab initio investigation of intermolecular interactions in solid benzene

    E-Print Network [OSTI]

    O. Bludsky; M. Rubes; P. Soldan

    2008-01-04

    A computational strategy for the evaluation of the crystal lattice constants and cohesive energy of the weakly bound molecular solids is proposed. The strategy is based on the high level ab initio coupled-cluster determination of the pairwise additive contribution to the interaction energy. The zero-point-energy correction and non-additive contributions to the interaction energy are treated using density functional methods. The experimental crystal lattice constants of the solid benzene are reproduced, and the value of 480 meV/molecule is calculated for its cohesive energy.

  17. Atomic Structure of Benzene Which Accounts for Resonance Energy

    E-Print Network [OSTI]

    Raji Heyrovska

    2008-07-09

    Benzene is a hexagonal molecule of six carbon atoms, each of which is bound to six hydrogen atoms. The equality of all six CC bond lengths, despite the alternating double and single bonds, and the surplus (resonance) energy, led to the suggestion of two resonanting structures. Here, the new atomic structure shows that the bond length equality is due to three carbon atoms with double bond radii bound to three other carbon atoms with resonance bond radii (as in graphene). Consequently, there are two kinds of CH bonds of slightly different lengths. The bond energies account for the resonance energy.

  18. Tuning the oxide/organic interface: Benzene on SnO2,,101... Matthias Batzill,a)

    E-Print Network [OSTI]

    Diebold, Ulrike

    Tuning the oxide/organic interface: Benzene on SnO2,,101... Matthias Batzill,a) Khabibulakh Katsiev,16 As a model molecule for simulating an organic semiconductor film benzene was chosen as a simple -conjugated

  19. Adsorption of nitrogen, neopentane, n-hexane, benzene and methanol for the evaluation of pore sizes in

    E-Print Network [OSTI]

    Muzzio, Fernando J.

    Adsorption of nitrogen, neopentane, n-hexane, benzene and methanol for the evaluation of pore sizes-hexane, benzene and methanol adsorption isotherms were determined on ®ve samples of silica grade MCM-41

  20. High harmonic generation spectra of aligned benzene in circular polarized laser field

    E-Print Network [OSTI]

    Moiseyev, Nimrod

    High harmonic generation spectra of aligned benzene in circular polarized laser field Petra Zda-order harmonic generation in benzene, aligned in the polarization plane of circular polarized laser field-lived resonance state up to the intensity of about 90 TW cm 2 . The high-order harmonics emitted by the system

  1. Analytical solution of electronic transport through a benzene molecule using lattice Green's functions

    E-Print Network [OSTI]

    E. J. C. Dias; N. M. R. Peres

    2015-02-25

    Using a Green's function formalism we derive analytical expressions for the electronic transmittance through a benzene ring. To motivate the approach we first solve the resonant level system and then extend the method to the benzene case. These results can be used to validate numerical methods.

  2. Modeling benzene plume elongation mechanisms exerted by ethanol using RT3D with a general

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    E10 gasoline (i.e., a blend with 10% vol/vol ethanol/ gasoline) showed that mean benzene plume of E10 gasoline (10% vol/vol ethanol), which compares favorably to field observations. For low benzene Act requirements. The widespread use of ethanol in gasoline has led to an increase in its potential

  3. Impact of Ethanol on Benzene Plume Lengths: Microbial and Modeling Studies

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    Impact of Ethanol on Benzene Plume Lengths: Microbial and Modeling Studies Rula A. Deeb1 ; Jonathan with Federal Clean Air Act requirements for carbon monoxide and ozone attainment, ethanol is being considered as a replacement for MTBE. The objective of this study is to evaluate the potential impact of ethanol on benzene

  4. Chemical accuracy from quantum Monte Carlo for the Benzene Dimer

    E-Print Network [OSTI]

    Azadi, Sam

    2015-01-01

    We report an accurate study of interactions between Benzene molecules using variational quantum Monte Carlo (VMC) and diffusion quantum Monte Carlo (DMC) methods. We compare these results with density functional theory (DFT) using different van der Waals (vdW) functionals. In our QMC calculations, we use accurate correlated trial wave functions including three-body Jastrow factors, and backflow transformations. We consider two benzene molecules in the parallel displaced (PD) geometry, and find that by highly optimizing the wave function and introducing more dynamical correlation into the wave function, we compute the weak chemical binding energy between aromatic rings accurately. We find optimal VMC and DMC binding energies of -2.3(4) and -2.7(3) kcal/mol, respectively. The best estimate of the CCSD(T)/CBS limit is -2.65(2) kcal/mol [E. Miliordos et al, J. Phys. Chem. A 118, 7568 (2014)]. Our results indicate that QMC methods give chemical accuracy for weakly bound van der Waals molecular interactions, compar...

  5. Internal degrees of freedom and transport of benzene on graphite

    E-Print Network [OSTI]

    Astrid S. de Wijn

    2011-07-13

    In this paper, the chaotic internal degrees of freedom of a benzene molecule adsorbed on a graphite substrate, their interplay with thermal noise, and their effects on the diffusion and drift are investigated analytically by making use of the presence of two different time scales as well as by molecular-dynamics simulations. The effects of thermal noise are investigated, and it is found that noise does not significantly alter the dynamics of the internal degrees of freedom, yet affects the friction and diffusion of the center of mass. Qualitative and quantitative theoretical predictions for the friction and diffusion of the molecule on the substrate are made and are compared to molecular-dynamics simulations. Contributions to the friction and diffusion from the finite heat bath as well as the slow dynamics of the center of mass are formally identified. It is shown that the torsion in benzene, which dominates the nonlinear coupling, significantly affects the friction of the molecule on the surface. The results compare favorably with recent results from He/neutron spin echo experiments on this system. Based on the analytical and numerical results, some suggestions are made for experimental conditions under which the effects of internal degrees of freedom might be observable.

  6. Intermolecular C?H bond activation of benzene and pyridines by a vanadium(III) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex

    SciTech Connect (OSTI)

    Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.

    2012-01-20

    Breaking of the carbon-hydrogen bond of benzene and pyridine is observed with (PNP)V(CH{sub 2}tBu){sub 2} (1), and in the case of benzene, the formation of an intermediate benzyne complex (C) is proposed, and indirect proof of its intermediacy is provided by identification of (PNP)VO({eta}{sup 2}-C{sub 6}H{sub 4}) in combination with DFT calculations.

  7. Anhydrous aluminum chloride as an alkylation catalyst: identification of mono- and dialkyl-benzenes from the condensation of tertiary butyl alcohol with benzene

    E-Print Network [OSTI]

    Scoggins, Lacey E

    1959-01-01

    - alkyl and polyalkyl derivatives. The percentage yield, of monoalkyl derivatives is dependent upon the alcohol, dehydrating agent and. the activation of the aromatic nuclei Anhydrous ferric and alusdnum chloride, hydrogen fluoride with phosphorous...-butyl alcohol with 'benzene in the presence of i'erric chloride and. a 5g yield using aluminum chloride under the same conditions. Simons and. Archer5 reacted t-butyl alcohol with 'benzene using hydrogen fluoride as an alkylation catalyst, obtaining 4Q...

  8. Clustering Dynamics of the Metal-Benzene Sandwich Complex: The Role of Microscopic Structure of the Solute In the Bis(6-benzene)chromium Arn Clusters (n ) 1-15)

    E-Print Network [OSTI]

    Kim, Sang Kyu

    Clustering Dynamics of the Metal-Benzene Sandwich Complex: The Role of Microscopic Structure of the Solute In the Bis(6-benzene)chromium ·Arn Clusters (n ) 1-15) Kyo-Won Choi, Sunyoung Choi, Doo-Sik AhnVised Manuscript ReceiVed: June 25, 2008 Ar clustering dynamics around the metal-benzene sandwich complex, bis(6

  9. Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures Tanya M. Raschke* and Michael Levitt

    E-Print Network [OSTI]

    Raschke, Tanya M.

    Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures Tanya M of the hydrophobic solutes benzene and cyclohexane were investigated using molecular dynamics (MD) simulations O and H atoms surrounding either benzene or cyclohexane were generated from the simulation data. MD

  10. Fully ab initio atomization energy of benzene via Weizmann-2 theory Srinivasan Parthiban and Jan M. L. Martina)

    E-Print Network [OSTI]

    Martin, Jan M.L.

    Fully ab initio atomization energy of benzene via Weizmann-2 theory Srinivasan Parthiban and Jan M at absolute zero, (TAE0) of benzene, C6H6, was computed fully ab initio by means of W2h theory as 1306.6 kcal for systems the size of benzene, chemically accurate molecular atomization energies can be obtained from fully

  11. Benzene Exposure and Risk of Non-Hodgkin Lymphoma Martyn T. Smith, Rachael M. Jones, and Allan H. Smith

    E-Print Network [OSTI]

    California at Berkeley, University of

    Benzene Exposure and Risk of Non-Hodgkin Lymphoma Martyn T. Smith, Rachael M. Jones, and Allan H of California, Berkeley, California Abstract Exposure to benzene, an important industrial chemical and component studies that identified probable occupational exposures to benzene and NHL morbidity or mortality. We

  12. Electronic structure of benzene adsorbed on single-domain Si,,001...-,,2 1...: A combined experimental and theoretical study

    E-Print Network [OSTI]

    Birkenheuer, Uwe

    Electronic structure of benzene adsorbed on single-domain Si,,001...-,,2 1...: A combined Received 20 October 1997; accepted 31 December 1997 Benzene adsorption on a single-domain Si 001 -(2 1 for the saturated benzene layer exhibit well-defined polarization and azimuthal dependencies compatible with a flat

  13. Electronic Structure and Properties of Transition Metal-Benzene Ravindra Pandey, Bijan K. Rao,*, Purusottam Jena, and Miguel Alvarez Blanco

    E-Print Network [OSTI]

    Pandey, Ravi

    Electronic Structure and Properties of Transition Metal-Benzene Complexes Ravindra Pandey, Bijan Kd transition metal atoms (M) interacting with benzene molecules (Bz) is carried out using density. The variation of the metal-benzene distances, dissociation energies, ionization potentials, electron affinities

  14. The nature of the exalted Kekule vibration of styrene and other benzene derivatives in the S1 state

    E-Print Network [OSTI]

    Haas, Yehuda

    The nature of the exalted Kekule vibration of styrene and other benzene derivatives in the S1 state vibrational frequency of several benzene derivatives in the ®rst excited state S1. It is found of benzene are treated as `twin states'. The physical nature of this vibration is discussed in view

  15. 2590 J. Am. Chem. SOC.1995,117, 2590-2599 The C-H Bond Energy of Benzene

    E-Print Network [OSTI]

    Ellison, Barney

    2590 J. Am. Chem. SOC.1995,117, 2590-2599 The C-H Bond Energy of Benzene Gustavo E. Davico ion with benzene and phenide ion with ammonia: c&6 +NH2- C6H5- +NH3. The ratio of these rate constants for derived. The enthalpy of deprotonationof benzene, the C-H bond dissociationenergy, and the electron

  16. The vibrational structure of benzene adsorbed on Si,,001... Markus Staufer, Uwe Birkenheuer, Thomas Belling, Folke Nortemann,

    E-Print Network [OSTI]

    Birkenheuer, Uwe

    The vibrational structure of benzene adsorbed on Si,,001... Markus Staufer, Uwe Birkenheuer, Thomas0021-9606 00 70505-8 I. INTRODUCTION The adsorption of benzene on the (2 1) dimer recon- structed Si for various structure models. Benzene is di- bound to a single Si surface dimer forming a C2v

  17. Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis of C6H6

    E-Print Network [OSTI]

    Kim, Myung Soo

    Vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of benzene: Vibrational analysis-photon spectra agrees with the previous suggestion that the geometry of benzene cation in the ground electronic. INTRODUCTION Benzene cation has been the focus of an intensive re- search effort, both experimental1

  18. Ionization and high-order harmonic generation in aligned benzene by a short intense circularly polarized laser pulse

    E-Print Network [OSTI]

    Moiseyev, Nimrod

    Ionization and high-order harmonic generation in aligned benzene by a short intense circularly and high-order harmonic generation by benzene aligned in the polarization plane of a short circularly pulses 4 . Recently, other types of HHG processes have been dis- covered in molecules. The planar benzene

  19. Electronic Transitions of Protonated Benzene and Fulvene, and of C6H7 Isomers in Neon Matrices

    E-Print Network [OSTI]

    Maier, John Paul

    Electronic Transitions of Protonated Benzene and Fulvene, and of C6H7 Isomers in Neon Matrices: Electronic transitions of protonated benzene (A~ 1 B2rX~ 1 A1, origin at 325 nm) and R-protonated fulvene (A) with simple atomic and molecular species was investigated.3,4 It was found, for example, that benzene cations

  20. J. Am. Chem. SOC. The m ( b 2 u ) Mode of Benzene in SOand SI and the

    E-Print Network [OSTI]

    Haas, Yehuda

    J. Am. Chem. SOC. The m ( b 2 u ) Mode of Benzene in SOand SI and the Distortive Nature of the z structure. The symmetry analysis of the vibrational modes of benzene by Wilson4was one of the first and assigned of vibrational spectra of benzene and its derivatives. Early on it was noticed that b2u modes

  1. ForReview.Confidential-ACS Catalytic Transformation of 1,3,5 -Trimethyl Benzene over USY Zeolite

    E-Print Network [OSTI]

    Al-Khattaf, Sulaiman

    ForReview.Confidential-ACS Catalytic Transformation of 1,3,5 -Trimethyl Benzene over USY Zeolite Catalytic Transformation of 1,3,5 -Trimethyl Benzene over USY Zeolite Catalyst Nasir M. Tukur and SulaimanTMB, disproportionation. May 2007 Keywords: Trimethyl benzene, isomerization, disproportionation

  2. (CANCER RESEARCH 50, 393-399. January 15. 1990] Characterization of Micronuclei Induced in Human Lymphocytes by Benzene

    E-Print Network [OSTI]

    California at Berkeley, University of

    Lymphocytes by Benzene Metabolites1 Janice W. Yager, David A. Eastmond,2 Moire L. Robertson, William M Division, Lawrence Livermore National Laboratory, Livermore, California 94550 fD. A. E.] ABSTRACT Benzene is an established human leukemogen. Workers occupational!) exposed to benzene exhibit increased frequencies of both

  3. Assessment of anaerobic benzene degradation potential using 16S rRNA gene-targeted real-time PCR

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    Assessment of anaerobic benzene degradation potential using 16S rRNA gene-targeted real-time PCR University, MS 317, Houston, TX 77251-1892, USA. Summary Benzene is a common groundwater pollutant. Thus, determining the potential for anaerobic benzene deg- radation is important to assess

  4. Polymorphisms in genes involved in DNA double-strand break repair pathway and susceptibility to benzene-induced hematotoxicity

    E-Print Network [OSTI]

    California at Berkeley, University of

    to benzene-induced hematotoxicity Min Shen1,Ã, Qing Lan1 , Luoping Zhang2 , Stephen Chanock1,3 , Guilan Li4; Email: shenmi@mail.nih.gov Benzene is a recognized hematotoxicant and carcinogen that produces genotoxic and indirectly by benzene metabolites. DSB may lead to chromosome aberrations, apoptosis and hematopoietic

  5. Charge localization and JahnTeller distortions in the benzene dimer cation Piotr A. Pieniazek, Stephen E. Bradforth,a

    E-Print Network [OSTI]

    Krylov, Anna I.

    Charge localization and Jahn­Teller distortions in the benzene dimer cation Piotr A. Pieniazek August 2008 Jahn­Teller JT distortions and charge localization in the benzene dimer cation are analyzed.1063/1.2969107 I. INTRODUCTION The benzene dimer cation is an important model system for radiation

  6. J. Am. Chem. SOC.1987, 109, 6825-6836 6825 `H NMR (22 O C , benzene-d6): 6 3.26 (s, OSCMe), 3.03 (s, 2JwH=

    E-Print Network [OSTI]

    Prentiss, Mara

    J. Am. Chem. SOC.1987, 109, 6825-6836 6825 `H NMR (22 O C , benzene-d6): 6 3.26 (s, OSCMe), 3.03 (s to yield a yellow powder (0.35 g, 92%). `H NMR (22 O C , benzene-d6): 6 2.66 (s, bridge 02CNMe2),2.59 (s of C 0 2was reacted with W,Bz;(NMe,),. `H NMR (22 OC. benzene-dr): 6 3.79 (s, CH,Ph), 2.67, 2.28 S, 02

  7. TABLE OF CONTENTS Content Page

    E-Print Network [OSTI]

    Li, Jiuyong "John"

    #12;TABLE OF CONTENTS Content Page Version 5.1 iii September 2012 Contents 1 INTRODUCTION 1-1 1;TABLE OF CONTENTS Content Page Version 5.1 iv September 2012 3 PLANNING AND DESIGN GUIDELINES 3-1 3 Noise 3-25 3.3.15 Optimise Light 3-25 3.3.16 Save Water 3-25 3.3.17 Minimise Waste 3-25 3.4 Green Star

  8. Bond Energy Sums in Benzene, Cyclohexatriene and Cyclohexane Prove Resonance Unnecessary

    E-Print Network [OSTI]

    Raji Heyrovska

    2008-07-27

    The recent new structure of benzene shows that it consists of three C atoms of radii as in graphite alternating with three C atoms with double bond radii. This is different from the hypothetical cyclohexatriene (Kekule structure) involving alternate double and single bonds. It was shown that the difference in the bond energy sum of the atomic structure of benzene from that of the Kekule structure is the energy (erroneously) assumed to be due to resonance. Here it is shown that the present structure of benzene also explains the energy of hydrogenation into cyclohexane and its difference from that of cyclohexatriene.

  9. Resonant ion-dip infrared spectroscopy of benzene(methanol)m clusters R. Nathaniel Pribble, Fredrick C. Hagemeister, and Timothy S. Zwiera)

    E-Print Network [OSTI]

    Zwier, Timothy S.

    Resonant ion-dip infrared spectroscopy of benzene­(methanol)m clusters with m 1­6 R. Nathaniel bonding between benzene and methanol. The m 2 spectrum features two strong transitions at 3506 and 3605 cm in the absence of benzene, is redshifted by 76 cm 1 due to a strengthened hydrogen bond. In benzene­ CH3OH 3

  10. DYNAMIC MODELING AND CONTROL OF REACTIVE DISTILLATION FOR HYDROGENATION OF BENZENE 

    E-Print Network [OSTI]

    Aluko, Obanifemi

    2010-01-16

    This work presents a modeling and control study of a reactive distillation column used for hydrogenation of benzene. A steady state and a dynamic model have been developed to investigate control structures for the column. ...

  11. COSMIC-RAY-MEDIATED FORMATION OF BENZENE ON THE SURFACE OF SATURN'S MOON TITAN

    SciTech Connect (OSTI)

    Zhou Li; Zheng Weijun; Kaiser, Ralf I.; Landera, Alexander; Mebel, Alexander M.; Liang, Mao-Chang; Yung, Yuk L.

    2010-08-01

    The aromatic benzene molecule (C{sub 6}H{sub 6})-a central building block of polycyclic aromatic hydrocarbon molecules-is of crucial importance for the understanding of the organic chemistry of Saturn's largest moon, Titan. Here, we show via laboratory experiments and electronic structure calculations that the benzene molecule can be formed on Titan's surface in situ via non-equilibrium chemistry by cosmic-ray processing of low-temperature acetylene (C{sub 2}H{sub 2}) ices. The actual yield of benzene depends strongly on the surface coverage. We suggest that the cosmic-ray-mediated chemistry on Titan's surface could be the dominant source of benzene, i.e., a factor of at least two orders of magnitude higher compared to previously modeled precipitation rates, in those regions of the surface which have a high surface coverage of acetylene.

  12. Nonresonant hyper?Raman and hyper?Rayleigh scattering in benzene and pyridine

    E-Print Network [OSTI]

    Neddersen, John P.; Mounter, Sarah A.; Bostick, James M.; Johnson, Carey K.

    1989-01-01

    Nonresonant hyper?Raman and hyper?Rayleigh spectra excited at 1064 nm are reported for neat benzene and pyridine. The theory of Herzberg–Teller vibronic coupling in nonresonant and preresonant hyper?Raman scattering is developed. Nonresonant hyper...

  13. Diffusion of benzene confined in the oriented nanochannels of chrysotile asbestos fibers

    SciTech Connect (OSTI)

    Mamontov, E.; Kumzerov, Yu.A.; Vakhrushev, S.B.

    2005-11-01

    We used quasielastic neutron scattering to study the dynamics of benzene that completely fills the nanochannels of chrysotile asbestos fibers with a characteristic diameter of about 5 nm. The macroscopical alignment of the nanochannels in fibers provided an interesting opportunity to study anisotropy of the dynamics of confined benzene by means of collecting the data with the scattering vector either parallel or perpendicular to the fibers axes. The translational diffusive motion of benzene molecules was found to be isotropic. While bulk benzene freezes at 278.5 K, we observed the translational dynamics of the supercooled confined benzene on the time scale of hundreds of picoseconds even below 200 K, until at about 160 K its dynamics becomes too slow for the {mu}eV resolution of the neutron backscattering spectrometer. The residence time between jumps for the benzene molecules measured in the temperature range of 260 K to 320 K demonstrated low activation energy of 2.8 kJ/mol.

  14. Electron localization in a mixed-valence diniobium benzene complex

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

    Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John

    2014-11-11

    Reaction of the neutral diniobium benzene complex {[Nb(BDI)NtBu]2(?-C6H6)} (BDI = N,N'-diisopropylbenzene-?-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(?-C6H6)}{B(C6F5)4}. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L3,2-edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that ismore »not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the ?-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.« less

  15. Electron localization in a mixed-valence diniobium benzene complex

    SciTech Connect (OSTI)

    Gianetti, Thomas L.; Nocton, Grégory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John

    2014-11-11

    Reaction of the neutral diniobium benzene complex {[Nb(BDI)NtBu]2(?-C6H6)} (BDI = N,N'-diisopropylbenzene-?-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(?-C6H6)}{B(C6F5)4}. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L3,2-edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that is not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the ?-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.

  16. Test of electron beam technology on Savannah River Laboratory low-activity aqueous waste for destruction of benzene, benzene derivatives, and bacteria

    SciTech Connect (OSTI)

    Dougal, R.A.

    1993-08-01

    High energy radiation was studied as a means for destroying hazardous organic chemical wastes. Tests were conducted at bench scale with a {sup 60}Co source, and at full scale (387 l/min) with a 1.5 MV electron beam source. Bench scale tests for both benzene and phenol included 32 permutations of water quality factors. For some water qualities, as much as 99.99% of benzene or 90% of phenol were removed by 775 krads of {sup 60}Co irradiation. Full scale testing for destruction of benzene in a simulated waste-water mix showed loss of 97% of benzene following an 800 krad dose and 88% following a 500 krad dose. At these loss rates, approximately 5 Mrad of electron beam irradiation is required to reduce concentrations from 100 g/l to drinking water quality (5 {mu}g/l). Since many waste streams are also inhabited by bacterial populations which may affect filtering operations, the effect of irradiation on those populations was also studied. {sup 60}Co and electron beam irradiation were both lethal to the bacteria studied at irradiation levels far lower than were necessary to remove organic contaminants.

  17. In utero exposure to benzene increases embryonic c-Myb and Pim-1 protein levels in CD-1 mice

    SciTech Connect (OSTI)

    Wan, Joanne; Winn, Louise M.

    2008-05-01

    Benzene is a known human leukemogen, but its role as an in utero leukemogen remains controversial. Epidemiological studies have correlated parental exposure to benzene with an increased incidence of childhood leukemias. We hypothesize that in utero exposure to benzene may cause leukemogenesis by affecting the embryonic c-Myb/Pim-1 signaling pathway and that this is mediated by oxidative stress. To investigate this hypothesis, pregnant CD-1 mice were treated with either 800 mg/kg of benzene or corn oil (i.p.) on days 10 and 11 of gestation and in some cases pretreated with 25 kU/kg of PEG-catalase. Phosphorylated and total embryonic c-Myb and Pim-1 protein levels were assessed using Western blotting and maternal and embryonic oxidative stress were assessed by measuring reduced to oxidized glutathione ratios. Our results show increased oxidative stress at 4 and 24 h after exposure, increased phosphorylated Pim-1 protein levels 4 h after benzene exposure, and increased Pim-1 levels at 24 and 48 h after benzene exposure. Embryonic c-Myb levels were elevated at 24 h after exposure. PEG-catalase pretreatment prevented benzene-mediated increases in embryonic c-Myb and Pim-1 protein levels, and benzene-induced oxidative stress. These results support a role for ROS in c-Myb and Pim-1 alterations after in utero benzene exposure.

  18. An investigation of the thermal degradation mechanisms of a waste tire through chemical analysis including hydrocarbons, benzene derivatives, and Polycyclic

    E-Print Network [OSTI]

    including hydrocarbons, benzene derivatives, and Polycyclic Aromatic Hydrocarbons (PAHs) at high temperature-to-Energy, Volatile Organic Carbons (VOCs), Polycyclic Aromatic Hydrocarbons (PAHs), Hetero-N containing PAH

  19. THE INFLUENCE OF BENZENE AS A TRACE REACTANT IN TITAN AEROSOL ANALOGS

    SciTech Connect (OSTI)

    Trainer, Melissa G.; Sebree, Joshua A.; Heidi Yoon, Y.; Tolbert, Margaret A.

    2013-03-20

    Benzene has been detected in Titan's atmosphere by Cassini instruments, with concentrations ranging from sub-ppb in the stratosphere to ppm in the ionosphere. Sustained levels of benzene in the haze formation region could signify that it is an important reactant in the formation of Titan's organic aerosol. To date, there have not been laboratory investigations to assess the influence of benzene on aerosol properties. We report a laboratory study on the chemical composition of organic aerosol formed from C{sub 6}H{sub 6}/CH{sub 4}/N{sub 2} via far ultraviolet irradiation (120-200 nm). The compositional results are compared to those from aerosol generated by a more ''traditional Titan'' mixture of CH{sub 4}/N{sub 2}. Our results show that even a trace amount of C{sub 6}H{sub 6} (10 ppm) has significant impact on the chemical composition and production rates of organic aerosol. There are several pathways by which photolyzed benzene may react to form larger molecules, both with and without the presence of CH{sub 4}, but many of these reaction mechanisms are only beginning to be explored for the conditions at Titan. Continued work investigating the influence of benzene in aerosol growth will advance understanding of this previously unstudied reaction system.

  20. Hydrogen-terminated silicon nanowire photocatalysis: Benzene oxidation and methyl red decomposition

    SciTech Connect (OSTI)

    Lian, Suoyuan; School of Chemical Engineering and Materials, Dalian Polytechnic University, Dalian 116034 ; Tsang, Chi Him A.; Centre of Super Diamond and Advanced Films, City University of Hong Kong, Hong Kong ; Kang, Zhenhui; Liu, Yang; Wong, Ningbew; Lee, Shuit-Tong; Centre of Super Diamond and Advanced Films, City University of Hong Kong, Hong Kong

    2011-12-15

    Graphical abstract: H-SiNWs can catalyze hydroxylation of benzene and degradation of methyl red under visible light irradiation. Highlights: Black-Right-Pointing-Pointer Hydrogen-terminated silicon nanowires were active photocatalyst in the hydroxylation of benzene under light. Black-Right-Pointing-Pointer Hydrogen-terminated silicon nanowires were also effective in the decomposition of methyl red dye. Black-Right-Pointing-Pointer The Si/SiO{sub x} core-shell structure is the main reason of the obtained high selectivity during the hydroxylation. -- Abstract: Hydrogen-terminated silicon nanowires (H-SiNWs) were used as heterogeneous photocatalysts for the hydroxylation of benzene and for the decomposition of methyl red under visible light irradiation. The above reactions were monitored by GC-MS and UV-Vis spectrophotometry, respectively, which shows 100% selectivity for the transformation of benzene to phenol. A complete decomposition of a 2 Multiplication-Sign 10{sup -4} M methyl red solution was achieved within 30 min. The high selectivity for the hydroxylation of benzene and the photodecomposition demonstrate the catalytic activity of ultrafine H-SiNWs during nanocatalysis.

  1. Total cross sections for positron scattering from benzene, cyclohexane, and aniline

    SciTech Connect (OSTI)

    Zecca, Antonio; Moser, Norberto; Perazzolli, Chiara; Salemi, Alessandro; Brunger, Michael J.

    2007-08-15

    We use a linear transmission technique to measure total cross sections for positron scattering from benzene, cyclohexane, and aniline. In the case of cyclohexane, the energy range of the present study is 0.1-20 eV, while for benzene and aniline it is 0.2-20 eV. With respect to benzene and cyclohexane, comparison is made to the only other existing results we know of [Makochekanwa and co-workers, Phys. Rev. A 68, 032707 (2003); 72, 042705 (2005)]. Agreement with those data is only marginal, being particularly poor at the overlap lower energies. Unlike Kimura et al. [J. Phys. B 37, 1461 (2004)], we find the low-energy dependence of the positron-benzene total cross sections to be qualitatively similar to those found in the electron channel [Gulley et al., J. Phys. B 31, 2735 (1998)]. We believe that the present positron-aniline total cross sections represent the first time such data have been measured. These cross sections are almost identical to those we found for benzene, suggesting that substitution of hydrogen by the amine group on the aromatic ring is largely irrelevant to the scattering process in the energy regimes considered.

  2. Dissociation of the benzene molecule by UV and soft X-rays in circumstellar environment

    E-Print Network [OSTI]

    H. M. Boechat-Roberty; R. Neves; S. Pilling; A. F. Lago; G. G. B. de Souza

    2008-11-30

    Benzene molecules, present in the proto-planetary nebula CRL 618, are ionized and dissociated by UV and X-ray photons originated from the hot central star and by its fast wind. Ionic species and free radicals produced by these processes can lead to the formation of new organic molecules. The aim of this work is to study the photoionization and photodissociation processes of the benzene molecule, using synchrotron radiation and time of flight mass spectrometry. Mass spectra were recorded at different energies corresponding to the vacuum ultraviolet (21.21 eV) and soft X-ray (282-310 eV) spectral regions. The production of ions from the benzene dissociative photoionization is here quantified, indicating that C6H6 is more efficiently fragmented by soft X-ray than UV radiation, where 50% of the ionized benzene molecules survive to UV dissociation while only about 4% resist to X-rays. Partial ion yields of H+ and small hydrocarbons such as C2H2+, C3H3+ and C4H2+ are determined as a function of photon energy. Absolute photoionization and dissociative photoionization cross sections have also been determined. From these values, half-life of benzene molecule due to UV and X-ray photon fluxes in CRL 618 were obtained.

  3. In utero and in vitro effects of benzene and its metabolites on erythroid differentiation and the role of reactive oxygen species

    SciTech Connect (OSTI)

    Badham, Helen J.; Winn, Louise M.

    2010-05-01

    Benzene is a ubiquitous occupational and environmental toxicant. Exposures to benzene both prenatally and during adulthood are associated with the development of disorders such as aplastic anemia and leukemia. Mechanisms of benzene toxicity are unknown; however, generation of reactive oxygen species (ROS) by benzene metabolites may play a role. Little is known regarding the effects of benzene metabolites on erythropoiesis. Therefore, to determine the effects of in utero exposure to benzene on the growth and differentiation of fetal erythroid progenitor cells (CFU-E), pregnant CD-1 mice were exposed to benzene and CFU-E numbers were assessed in fetal liver (hematopoietic) tissue. In addition, to determine the effect of benzene metabolite-induced ROS generation on erythropoiesis, HD3 chicken erythroblast cells were exposed to benzene, phenol, or hydroquinone followed by stimulation of erythrocyte differentiation. Our results show that in utero exposure to benzene caused significant alterations in female offspring CFU-E numbers. In addition, exposure to hydroquinone, but not benzene or phenol, significantly reduced the percentage of differentiated HD3 cells, which was associated with an increase in ROS. Pretreatment of HD3 cells with polyethylene glycol-conjugated superoxide dismutase (PEG-SOD) prevented hydroquinone-induced inhibition of erythropoiesis, supporting the hypothesis that ROS generation is involved in the development of benzene erythrotoxicity. In conclusion, this study provided evidence that ROS generated as a result of benzene metabolism may significantly alter erythroid differentiation, potentially leading to the development of Blood Disorders.

  4. Workbook Contents

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

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  5. Workbook Contents

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  6. Workbook Contents

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  7. Workbook Contents

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  8. Workbook Contents

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    ,"For Help, Contact:","infoctr@eia.gov" ,,"(202) 586-8800",,,"6272015 6:10:39 PM" "Back to Contents","Data 1: Natural Gas Gross Withdrawals from Oil Wells (Summary) "...

  9. Workbook Contents

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

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  10. Workbook Contents

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

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  11. Benzene Adsorbed on Metals: Concerted Effect of Covalency and van der Waals Bonding

    E-Print Network [OSTI]

    Liu, Wei; Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias; Tkatchenko, Alexandre

    2012-01-01

    The adsorption of aromatic molecules on metal surfaces plays a key role in condensed matter physics and functional materials. Depending on the strength of the interaction between the molecule and the surface, the binding is typically classified as either physisorption or chemisorption. Van der Waals (vdW) interactions contribute significantly to the binding in physisorbed systems, but the role of the vdW energy in chemisorbed systems remains unclear. Here we study the interaction of benzene with the (111) surface of transition metals, ranging from weak adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When vdW interactions are accurately accounted for, the barrier to adsorption predicted by standard density functional calculations essentially vanishes, producing a metastable precursor state on Pt and Ir surfaces. Notably, vdW forces contribute more to the binding of covalently bonded benzene than they do when benzene is physisorbed.

  12. Theoretical study of reactions of HO{sub 2} in low-temperature oxidation of benzene

    SciTech Connect (OSTI)

    Altarawneh, Mohammednoor; Dlugogorski, Bogdan Z.; Kennedy, Eric M.; Mackie, John C.

    2010-07-15

    We have generated a set of thermodynamic and kinetic parameters for the reactions involving HO{sub 2} in the very early stages of benzene oxidation at low temperatures using density functional theory (DFT). In particular, we report the rate constants for the reactions of HO{sub 2} with benzene and phenyl. The calculated reaction rate constant for the abstraction of H-C{sub 6}H{sub 5} by HO{sub 2} is found to be in good agreement with the limited experimental values. HO{sub 2} addition to benzene is found to be more important than direct abstraction. We show that the reactions of HO{sub 2} with the phenyl radical generate the propagating radical OH in a highly exoergic reaction. The results presented herein should be useful in modeling the oxidation of aromatic compounds at low temperatures. (author)

  13. Revisiting benzene cluster cations for the chemical ionization of dimethyl sulfide and select volatile organic compounds

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

    Kim, M. J.; Zoerb, M. C.; Campbell, N. R.; Zimmermann, K. J.; Blomquist, B. W.; Huebert, B. J.; Bertram, T. H.

    2015-10-01

    Benzene cluster cations were revisited as a sensitive and selective reagent ion for the chemical ionization of dimethyl sulfide (DMS) and a select group of volatile organic compounds (VOCs). Laboratory characterization was performed using both a new set of compounds (i.e. DMS, ?-caryophyllene) as well as previously studied VOCs (i.e., isoprene, ?-pinene). Using a field deployable chemical ionization time-of-flight mass spectrometer (CI-ToFMS), benzene cluster cations demonstrated high sensitivity (> 1 ncps ppt?1) to DMS, isoprene, and ?-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a weaker electric field, demonstrated that ion-molecule reactions likely proceed through amore »combination of ligand-switching and direct charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (R2=0.80) over a wide range of sampling conditions.« less

  14. Vapor-liquid equilibria for the methanol-benzene and methanol-thiophene systems

    SciTech Connect (OSTI)

    Toghiani, H.; Toghiani, R.K.; Viswanath, D.S. (Univ. of Missouri, Columbia, MO (United States). Dept. of Chemical Engineering)

    1994-01-01

    The equilibrium still of Rogalski and Malanowski was modified to collect data for the methanol-benzene and methanol-thiophene systems. Two isothermal sets (318.15 and 323.15 K) and one isobaric set (60.03 kPa) of data are presented for the system containing thiophene. For this system, data have not been reported in the literature for the 323.15 K isotherm nor for any isobar. In addition, isothermal data at 318.15 K and isobaric data at 69.52 kPa are presented for the methanol-benzene system. The data presented for methanol-benzene agree with available literature data. However, data for approximately twice as many compositions in the dilute composition region as are available in the literature have been measured in this work. Data in this region are useful for extracting infinite dilution values for the activity coefficients.

  15. THE JOURNAL OF CHEMICAL PHYSICS 134, 134701 (2011) Binding of hydrogen on benzene, coronene, and graphene from quantum

    E-Print Network [OSTI]

    Alfè, Dario

    2011-01-01

    the binding energy curves of hydrogen on benzene, coronene, and graphene. The DMC results on benzene agree well with MP2, giving an adsorption energy of 40 meV. For physisorbed hydrogen on graphene, DMC predicts a very small adsorption energy of only 5 ± 5 meV. Density functional theory (DFT) calculations

  16. Low Energy Barrier Proton Transfer in Protonated Benzene-Water Complex Eugene S. Kryachko and Minh Tho Nguyen*

    E-Print Network [OSTI]

    Nguyen, Minh Tho

    Low Energy Barrier Proton Transfer in Protonated Benzene-Water Complex Eugene S. Kryachko and Minh-proton transfer from the benzenium-water complex occurred through the low-energy barrier. The latter is associated-bonded benzene-water complex is studied at the MP2/6-31+G(d,p) computational level. It is shown that, contrary

  17. Diffusion and Catalytic Cracking of 1,3,5 Tri-iso-propyl-benzene in FCC Catalysts

    E-Print Network [OSTI]

    Al-Khattaf, Sulaiman

    1 Diffusion and Catalytic Cracking of 1,3,5 Tri-iso- propyl-benzene in FCC Catalysts S.Al-Khattaf1 describes catalytic cracking experiments developed in a novel CREC Riser Simulator using 1,3,5-Tri-iso-propyl-benzene

  18. Solubilities of Toluene, Benzene and TCE in High-Biomass Systems

    SciTech Connect (OSTI)

    Barton, John W.; Vodraska, Christopher D; Flanary, Sandie A.; Davison, Brian H

    2008-01-01

    We report measurements of solubility limits for benzene, toluene, and TCE in systems that contain varying levels of biomass up to 0.13 g/mL. The solubility limit increased from 20 to 48 mM when biomass (in the form of yeast) was added to aqueous batch systems containing benzene. The toluene solubility limit increased from 4.9 to greater than 20 mM. For TCE, the solubility increased from 8 mM to more than 1000 mM. Solubility for TCE was most heavily impacted by biomass levels, changing by two orders of magnitude.

  19. Study of the Thermal Diffusion Behavior of Alkane/Benzene Mixtures by Thermal Diffusion Forced Rayleigh Scattering Experiments and Lattice Model Calculations

    E-Print Network [OSTI]

    Luettmer-Strathmann, Jutta

    Study of the Thermal Diffusion Behavior of Alkane/Benzene Mixtures by Thermal Diffusion Forced mixtures of linear alkanes (heptane, nonane, undecane, tridecane, pentadecane, heptadecane) in benzene has and temperatures. The Soret coefficient ST of the alkane was found to be negative for these n-alkane/benzene

  20. Modeling the -lectrons of Benzene as Particles on a Ring Calculate the wavelength of the photon required for the first allowed (HOMO-LUMO) electronic

    E-Print Network [OSTI]

    Rioux, Frank

    Modeling the -lectrons of Benzene as Particles on a Ring Calculate the wavelength of the photon required for the first allowed (HOMO-LUMO) electronic transition involving the -electrons of benzene. Energy Level Diagram for Benzene's Electrons _______ _______4 h 2 2 m C 2 n = +/- 2 LUMO h 2 2 m C 2

  1. Identification of Adsorbed Phenyl (C6H5) Groups on Metal Surfaces: Electron-Induced Dissociation of Benzene on Au(111)

    E-Print Network [OSTI]

    Ellison, Barney

    of Benzene on Au(111) Denis Syomin, Jooho Kim, and Bruce E. Koel* Department of Chemistry, Uni thermal and electron-induced chemistry of benzene (C6H6) adsorbed on a Au(111) surface. Thermal desorption of benzene occurs in three desorption peaks: monolayer at 239 K, bilayer at 155 K, and multilayer films

  2. The Nature of the Intramolecular Charge Transfer Excited State in p-Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor

    E-Print Network [OSTI]

    Haas, Yehuda

    -Pyrrolocyanobenzene (PBN) and Other Derivatives of Benzene Substituted by Electron Donor and Acceptor Groups Shmuel Zilberg analysis of these compounds, in which benzene is substituted by an electron withdrawing group of benzene and is of a covalent nature. Light emission from this state is due to local excitation

  3. Direct Spectroscopic Observation of Fe(III)-Phenolate Complex Formed From the Reaction of Benzene With Peroxide Species on Fe/ZSM-5 At Room Temperature

    E-Print Network [OSTI]

    Li, Weixue

    Direct Spectroscopic Observation of Fe(III)-Phenolate Complex Formed From the Reaction of BenzeneVed: March 20, 2008 The reaction of benzene with the active oxygen species was studied by UV-visible diffuse as a precursor for phenol resins, fibers, dyestuffs, and medicine. The direct oxidation of benzene to phenol

  4. Alignment of benzene thin films on self-assembled monolayers by surface templating Hanqiu Yuan, K.D. Gibson, Daniel R. Killelea 1

    E-Print Network [OSTI]

    Sibener, Steven

    Alignment of benzene thin films on self-assembled monolayers by surface templating Hanqiu Yuan, K Keywords: Self-assembled monolayers Benzene adsorption Surface templating Vapor-phase deposition of the initial interface. In particular, we have examined benzene growth on gold, alkanethiol and phenoxy

  5. Supplement for "AMS and LC/MS analyses of SOA from the photooxidation of benzene and 1,3,5-trimethylbenzene in

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    1 Supplement for "AMS and LC/MS analyses of SOA from the photooxidation of benzene and 1@nies.go.jp) #12;2 Fig. S1: Time profiles (a) benzene concentration and HROrg and HRNO3 particulate product during the photooxidation of benzene (run 3). #12;3 Fig. S2. Yield curves for SOA formed from

  6. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

    E-Print Network [OSTI]

    Alavi, Ali

    Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact on benzene, coronene, and graphene from quantum Monte Carlo calculations J. Chem. Phys. 134, 134701 (2011); 10.1063/1.3569134 The water-benzene interaction: Insight from electronic structure theories J. Chem

  7. Charge transfer from TiO2 into adsorbed benzene diazonium compounds Tel-Aviv University, School of Electrical Engineering, Ramat-Aviv 69978, Israel

    E-Print Network [OSTI]

    Shapira, Yoram

    Charge transfer from TiO2 into adsorbed benzene diazonium compounds A. Merson Tel-Aviv University benzene diazonium compounds has been investigated using cyclic voltammetry, x-ray photoelectron that the potential of maximum electron transfer depends strongly on the dipole moment of the benzene compound. Two

  8. Dissociation of Benzene Dication [C6H6]2+: Exploring the Potential Energy Surface Smriti Anand and H. Bernhard Schlegel*

    E-Print Network [OSTI]

    Schlegel, H. Bernhard

    Dissociation of Benzene Dication [C6H6]2+: Exploring the Potential Energy Surface Smriti Anand The singlet potential energy surface for the dissociation of benzene dication has been explored, and its three such as acetylene, cyclopropane, butadiene, cyclohexane, benzene, toluene, and naphthalene. The Coulomb explosion

  9. Primary and Secondary Glyoxal Formation from Aromatics: Experimental Evidence for the Bicycloalkyl-Radical Pathway from Benzene, Toluene, and p-Xylene

    E-Print Network [OSTI]

    -Radical Pathway from Benzene, Toluene, and p-Xylene R. Volkamer,*, U. Platt, and K. Wirtz Centro de Estudios Form: May 16, 2001 A new approach is presented to study the ring-cleavage process of benzene, toluene for the troposphere. The yield of glyoxal was determined to be 35% ( 10% for benzene and about 5% higher for toluene

  10. (CANCER RESEARCH 53. I02.VI026. March I. 1993] Benzene and Its Phenolic Metabolites Produce Oxidative DNA Damage in HL60

    E-Print Network [OSTI]

    California at Berkeley, University of

    (CANCER RESEARCH 53. I02.VI026. March I. 1993] Benzene and Its Phenolic Metabolites Produce ABSTRACT Benzene, an important industrial chemical, is myelotoxic and leuke- mogenic in humans effects. Here we report the induction of oxida- tive DNA damage by benzene and its phenolic metabolites

  11. Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5 Niels Hansen,*, Till Bruggemann, Alexis T. Bell,*, and Frerich J. Keil

    E-Print Network [OSTI]

    Bell, Alexis T.

    Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5 Niels Hansen,*, Till Bru Benzene alkylation with ethene over zeolite H-ZSM-5 has been investigated using density functional theory with the formation of a stable ethoxide intermediate which subsequently reacts with benzene to form the reaction

  12. Hematotoxicity in Workers Exposed to Low Levels of Benzene Qing Lan1,*, Luoping Zhang2,*, Guilan Li3, Roel Vermeulen1, Rona S. Weinberg4, Mustafa

    E-Print Network [OSTI]

    California at Berkeley, University of

    Hematotoxicity in Workers Exposed to Low Levels of Benzene Qing Lan1,*, Luoping Zhang2,*, Guilan Li for Cancer Research, NCI, NIH, DHHS, Bethesda, MD 20892, USA. Abstract Benzene is known to have toxic effects million (ppm) remains uncertain. In a study of 250 workers exposed to benzene, white blood cell

  13. Mesomorphic properties and molecular structure. II. Structure of the smectic A phase in the 4-propionyl-4' -n-alkanoyloxy-azo-benzene series

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    -propionyl-4' -n-alkanoyloxy-azo-benzene series G. Albertini (*), E. Fanelli (**), D. Guillon (***), S dilatométrie et par diffraction des rayons X. La comparaison avec les données de la série 4-acetyl-4'-n-alkanoyloxy-azo-benzene-alka- noyloxy-azo-benzene series have been obtained by using dilatometry and X-ray diffraction techniques

  14. Modeling Studies on the Transport of Benzene and H2S in CO2-Water Systems

    E-Print Network [OSTI]

    Zheng, L.

    2011-01-01

    1980). Mole fraction of organics in CO2 60 C o benzene+CO2,1980). Mole fraction of organics in CO2 100 C phenol+CO2,o VP CO2 Vapor pressure (bar) VP C6H6 0 Mole fraction of CO

  15. Biofiltration control of VOC and air toxic emissions: n-Butane and benzene

    SciTech Connect (OSTI)

    Allen, E.R.

    1996-12-31

    n-Butane and benzene vapors are routinely observed in urban atmospheres. Their presence in urban airsheds is of concern because of their ozone production potential as volatile organic compounds (VOCs) and/or potential toxicity. Also, these saturated hydrocarbons are representative of airborne aliphatic and aromatic compounds. Separate laboratory studies have been conducted on the biological elimination of n-butane (n-C{sub 4}H{sub 10}) and benzene (C{sub 6}H{sub 6}) from airstreams using treated compost biofilters. The removal efficiencies were found to exceed 90% for a conditioned biofilter medium and pollutant low concentrations (< 25 ppm) and zeroth order kinetics at higher concentrations (> 100 ppm), whereas benzene vapor elimination followed zeroth order kinetics at concentrations up to 200 ppm. The maximum n-butane and benzene elimination capacities observed for the compost biofilters and conditions employed were 25 and 70 g pollutant m{sup -3} h{sup -1}, respectively. 13 refs., 6 figs., 2 tabs.

  16. Formation of the diphenyl molecule in the crossed beam reaction of phenyl radicals with benzene

    SciTech Connect (OSTI)

    Zhang Fangtong; Gu Xibin; Kaiser, Ralf I.

    2008-02-28

    The chemical dynamics to form the D5-diphenyl molecule, C{sub 6}H{sub 5}C{sub 6}D{sub 5}, via the neutral-neutral reaction of phenyl radicals (C{sub 6}H{sub 5}) with D6-benzene (C{sub 6}D{sub 6}), was investigated in a crossed molecular beams experiment at a collision energy of 185 kJ mol{sup -1}. The laboratory angular distribution and time-of-flight spectra of the C{sub 6}H{sub 5}C{sub 6}D{sub 5} product were recorded at mass to charge m/z of 159. Forward-convolution fitting of our data reveals that the reaction dynamics are governed by an initial addition of the phenyl radical to the {pi} electron density of the D6-benzene molecule yielding a short-lived C{sub 6}H{sub 5}C{sub 6}D{sub 6} collision complex. The latter undergoes atomic deuterium elimination via a tight exit transition state located about 30 kJ mol{sup -1} above the separated reactants; the overall reaction to form D5-diphenyl from phenyl and D6-benzene was found to be weakly exoergic. The explicit identification of the D5-biphenyl molecules suggests that in high temperature combustion flames, a diphenyl molecule can be formed via a single collision event between a phenyl radical and a benzene molecule.

  17. Antiferromagnetic Exchange Interaction between Electrons on Degenerate LUMOs in Benzene Dianion

    E-Print Network [OSTI]

    Matsuura, Hiroyasu; Fukuyama, Hidetoshi

    2012-01-01

    We discuss the ground state of Benzene dianion (Bz$^{2-}$) on the basis of the numerical diagonalization method of an effective model of $\\pi$ orbitals. It is found that the ground state can be the spin singlet state, and the exchange coupling between LUMOs can be antiferromagnetic.

  18. Comparative Investigation of Benzene Steam Reforming over Spinel Supported Rh and Ir Catalysts

    SciTech Connect (OSTI)

    Mei, Donghai; Lebarbier, Vanessa MC; Rousseau, Roger J.; Glezakou, Vassiliki Alexandra; Albrecht, Karl O.; Kovarik, Libor; Flake, Matthew D.; Dagle, Robert A.

    2013-06-01

    In a combined experimental and first-principles density functional theory (DFT) study, benzene steam reforming (BSR) over MgAl2O4 supported Rh and Ir catalysts was investigated. Experimentally, it has been found that both highly dispersed Rh and Ir clusters (1-2 nm) on the MgAl2O4 spinel support are stable during the BSR in the temperature range of 700-850?C. Compared to the Ir/MgAl2O4 catalyst, the Rh/MgAl2O4 catalyst is more active with higher benzene turnover frequency and conversion. At typical steam conditions with the steam-to-carbon ratio > 12, the benzene conversion is only a weak function of the H2O concentration in the feed. This suggests that the initial benzene decomposition step rather than the benzene adsorption is most likely the rate-determined step in BSR over supported Rh and Ir catalysts. In order to understand the differences between the two catalysts, we followed with a comparative DFT study of initial benzene decomposition pathways over two representative model systems for each supported metal (Rh and Ir) catalysts. A periodic terrace (111) surface and an amorphous 50-atom metal cluster with a diameter of 1.0 nm were used to represent the two supported model catalysts under low and high dispersion conditions. Our DFT results show that the decreasing catalyst particle size enhances the benzene decomposition on supported Rh catalysts by lowering both C-C and C-H bond scission. The activation barriers of the C-C and the C-H bond scission decrease from 1.60 and 1.61 eV on the Rh(111) surface to 1.34 and 1.26 eV on the Rh50 cluster. For supported Ir catalysts, the decreasing particle size only affects the C-C scission. The activation barrier of the C-C scission of benzene decreases from 1.60 eV on the Ir(111) surface to 1.35 eV on the Ir50 cluster while the barriers of the C-H scission are practically the same. The experimentally measured higher BSR activity on the supported highly dispersed Rh catalyst can be rationalized by the thermodynamic limitation for the very first C-C bond scission of benzene on the small Ir50 catalyst. The C-C bond scission of benzene on the small Ir50 catalyst is highly endothermic although the barrier is competitive with the barriers of both the C-C and the C-H bond-breakings on the small Rh50 catalyst. The calculations also imply that, for the supported Rh catalysts the C-C and C-H bond scissions are competitive, independently of the Rh cluster sizes. After the initial dissociation step via either the C-C or the C-H bond scission, the C-H bond breaking seems to be more favorable rather than the C-C bond breaking on the larger Rh terrace surface. This work was financially supported by the United States Department of Energy’s Office of Biomass Program’s. Computing time was granted by a user project at the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory.

  19. Headspace solid-phase microextraction (HS-SPME) for the determination of benzene, toluene, ethylbenzene, and xylenes (BTEX) in foundry molding sand

    SciTech Connect (OSTI)

    Dungan, R.S. [USDA ARS, Beltsville, MD (United States). Environmental Management & Byproducts Utilization Laboratory

    2005-07-01

    The use of headspace solid-phase microextraction (HS-SPME) to determine benzene, toluene, ethylbenzene, and xylenes (BTEX) in foundry molding sand, specifically a 'green sand' (clay-bonded sand) was investigated. The BTEX extraction was conducted using a 75 {mu} M carboxen-polydimethylsiloxane (CAR-PDMS) fiber, which was suspended above 10 g of sample. The SPME fiber was desorbed in a gas chromatograph injector port (280{sup o}C for 1 min) and the analytes were characterized by mass spectrometry. The effects of extraction time and temperature, water content, and clay and bituminous coal percentage on HS-SPME of BTEX were investigated. Because green sands contain bentonite clay and carbonaceous material such as crushed bituminous coal, a matrix effect was observed. The detection limits for BTEX were determined to be {lt}= 0.18 ng g{sup -1} of green sand.

  20. Products of the Benzene + O(3P) Reaction

    SciTech Connect (OSTI)

    Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Meloni, Giovanni; Trevitt, Adam J.; Epifanovsky, Evgeny; Krylov, Anna I.; Sirjean, Baptiste; Dames, Enoch; Wang, Hai

    2010-03-11

    The gas-phase reaction of benzene with O(3P) is of considerable interest for modeling of aromatic oxidation, and also because there exist fundamental questions concerning the prominence of intersystem crossing in the reaction. While its overall rate constant has been studied extensively, there are still significant uncertainties in the product distribution. The reaction proceeds mainly through the addition of the O atom to benzene, forming an initial triplet diradical adduct, which can either dissociate to form the phenoxy radical and H atom or undergo intersystem crossing onto a singlet surface, followed by a multiplicity of internal isomerizations, leading to several possible reaction products. In this work, we examined the product branching ratios of the reaction between benzene and O(3P) over the temperature range 300-1000 K and pressure range 1-10 Torr. The reactions were initiated by pulsed-laser photolysis of NO2 in the presence of benzene and helium buffer in a slow-flow reactor, and reaction products were identified by using the multiplexed chemical kinetics photoionization mass spectrometer operating at the Advanced Light Source (ALS) of Lawrence Berkeley National Laboratory. Phenol and phenoxy radical were detected and quantified. Cyclopentadiene and cyclopentadienyl radical were directly identified for the first time. Finally, ab initio calculations and master equation/RRKM modeling were used to reproduce the experimental branching ratios, yielding pressure-dependent rate expressions for the reaction channels, including phenoxy + H, phenol, cyclopentadiene + CO, which are proposed for kinetic modeling of benzene oxidation.

  1. On the role of delocalization in benzene: Theoretical and experimental investigation of the effects of strained ring fusion

    SciTech Connect (OSTI)

    Faust, R.

    1993-04-01

    When an important compound`s discovery dates back as far as 1825, one would imagine that every facet of its chemical and physical properties has been illuminated in the meantime. Benzene, however, has not ceased to challenge the chemist`s notion of structure and bonding since its first isolation by Michael Faraday. This report is divided into the following six chapters: 1. Aromaticity -- Criteria, manifestations, structural limitations; 2. The role of delocalization in benzene; 3. The thermochemical properties of benzocyclobutadienologs; 4. Ab initio study of benzenes fused to four-membered rings; 5. Non-planar polycyclic aromatic hydrocarbons; and 6. Experimental details and input decks. 210 Refs.

  2. Comparing the effects of various fuel alcohols on the natural attenuation of Benzene Plumes using a general substrate interaction model

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    a b s t r a c t Article history: Received 30 October 2009 Received in revised form 26 January 2010, which requires special handling of ethanol and dedicated pipelines [U.S. DOE, 2009b]. Benzene

  3. Interaction energies of monosubstituted benzene dimers via nonlocal density functional theory

    E-Print Network [OSTI]

    T. Thonhauser; Aaron Puzder; David C. Langreth

    2005-09-15

    We present density-functional calculations for the interaction energy of monosubstituted benzene dimers. Our approach utilizes a recently developed fully nonlocal correlation energy functional, which has been applied to the pure benzene dimer and several other systems with promising results. The interaction energy as a function of monomer distance was calculated for four different substituents in a sandwich and two T-shaped configurations. In addition, we considered two methods for dealing with exchange, namely using the revPBE generalized gradient functional as well as full Hartree-Fock. Our results are compared with other methods, such as Moller-Plesset and coupled-cluster calculations, thereby establishing the usefulness of our approach. Since our density-functional based method is considerably faster than other standard methods, it provides a computational inexpensive alternative, which is of particular interest for larger systems where standard calculations are too expensive or infeasible.

  4. Conversion of methanol to hydrocarbons III. Methylation, ethylation, and propylation of benzene with methanol

    SciTech Connect (OSTI)

    Kaeding, W.W. (Mobil Chemical Company, Princeton, NJ (USA))

    1988-12-01

    Methanol is converted to hydrocarbons (and water) over HZSM-5 zeolite catalyst in the presence of 1-8M excesses of benzene. Methanol products are primarily aliphatic hydrocarbon gases and C{sub 1} to C{sub 4} aliphatic substituents on the aromatic ring. Methylation of benzene to produce toluene increases as the feed ratio of methanol/benzene decreases. Mild conditions minimize aromatic ring production from methanol. Molar distribution of the methylene group (-CH{sub 2}-) in the product, is tabulated according to carbon number. Methane plus methyl substituents on the aromatic ring measure C{sub 1}; ethane, ethylene, and ethyl ring substituents measure C{sub 2}, etc. At temperatures up to 325 C, methylene distribution in the product is methyl = ethyl > propyl {much gt} butyl. Above 350 C, methyl {much gt} ethyl > propyl. This distribution of the methylene group, under mild conditions, may be a measure of the early production of light olefins, from methanol, within the zeolite pores.

  5. EERE Website Content Checklist

    Broader source: Energy.gov [DOE]

    This checklist is a tool to guide EERE content developers and editors in creating and reviewing content for websites.

  6. Adsorption of Benzene on a Mo(112)-c(2 2)-[SiO4] Surface M. S. Chen, A. K. Santra, and D. W. Goodman*

    E-Print Network [OSTI]

    Goodman, Wayne

    Adsorption of Benzene on a Mo(112)-c(2 × 2)-[SiO4] Surface M. S. Chen, A. K. Santra, and D. W-3012 ReceiVed: May 21, 2004; In Final Form: August 13, 2004 The orientation and growth of benzene). Benzene on the c(2 × 2)-[SiO4] surface is bound with its molecular plane parallel to the surface plane

  7. Benzene under high pressure: A story of molecular crystals transforming to saturated networks, with a possible intermediate metallic phase

    SciTech Connect (OSTI)

    Wen, Xiao-Dong; Hoffmann, Roald; Ashcroft, N. W.

    2011-01-01

    In a theoretical study, benzene is compressed up to 300 GPa. The transformations found between molecular phases generally match the experimental findings in the moderate pressure regime (<20 GPa): phase I (Pbca) is found to be stable up to 4 GPa, while phase II (P43212) is preferred in a narrow pressure range of 4–7 GPa. Phase III (P21/c) is at lowest enthalpy at higher pressures. Above 50 GPa, phase V (P21 at 0 GPa; P21/c at high pressure) comes into play, slightly more stable than phase III in the range of 50–80 GP, but unstable to rearrangement to a saturated, four-coordinate (at C), one-dimensional polymer. Actually, throughout the entire pressure range, crystals of graphane possess lower enthalpy than molecular benzene structures; a simple thermochemical argument is given for why this is so. In several of the benzene phases there nevertheless are substantial barriers to rearranging the molecules to a saturated polymer, especially at low temperatures. Even at room temperature these barriers should allow one to study the effect of pressure on the metastable molecular phases. Molecular phase III (P21/c) is one such; it remains metastable to higher pressures up to ~200 GPa, at which point it too rearranges spontaneously to a saturated, tetracoordinate CH polymer. At 300 K the isomerization transition occurs at a lower pressure. Nevertheless, there may be a narrow region of pressure, between P = 180 and 200 GPa, where one could find a metallic, molecular benzene state. We explore several lower dimensional models for such a metallic benzene. We also probe the possible first steps in a localized, nucleated benzene polymerization by studying the dimerization of benzene molecules. Several new (C6H6)2 dimers are predicted.

  8. Mobility of Supercooled liquid Toluene, Ethylbenzene, and Benzene near their Glass Transition Temperatures Investigated using Inert Gas Permeation

    SciTech Connect (OSTI)

    May, Robert A.; Smith, R. Scott; Kay, Bruce D.

    2013-11-21

    We investigate the mobility of supercooled liquid toluene, ethylbenzene, and benzene near their respective glass transition temperatures (Tg). The permeation rate of Ar, Kr, and Xe through the supercooled liquid created when initially amorphous overlayers heated above their glass transition temperature is used to determine the diffusivity. Amorphous benzene crystallizes at temperatures well below its Tg and as a result the inert gas underlayer remains trapped until the onset of benzene desorption. In contrast, for toluene and ethylbenzene the onset of inert gas permeation is observed at temperatues near Tg. The inert gas desorption peak temperature as a function of the heating rate and overlayer thickness is used to quantify the diffusivity of supercooled liquid toluene and ethylbenzene from 115 K to 135 K. In this temperature range, diffusivities are found to vary across five orders of magnitude (~10-14 to 10-9 cm2/s). These data are compared to viscosity measurements and used to determine the low temperature fractional Stokes-Einstein exponent. Efforts to determine the diffusivity of a mixture of benzene and ethylbenzene are detailed, and the effect of mixing these materials on benzene crystallization is explored using infrared spectroscopy.

  9. The benzene metabolite trans,trans-muconaldehyde blocks gap junction intercellular communication by cross-linking connexin43

    SciTech Connect (OSTI)

    Rivedal, Edgar Leithe, Edward

    2008-11-01

    Benzene is used at large volumes in many different human activities. Hematotoxicity and cancer-causation as a result of benzene exposure was recognized many years ago, but the mechanisms involved remain unclear. Aberrant regulation of gap junction intercellular communication (GJIC) has been linked to both cancer induction and interference with normal hematopoietic development. We have previously suggested that inhibition of GJIC may play a role in benzene toxicity since benzene metabolites were found to block GJIC, the ring-opened trans,trans-muconaldehyde (MUC) being the most potent metabolite. In the present work we have studied the molecular mechanisms underlying the MUC-induced inhibition of gap junctional communication. We show that MUC induces cross-linking of the gap junction protein connexin43 and that this is likely to be responsible for the induced inhibition of GJIC, as well as the loss of connexin43 observed in Western blots. We also show that glutaraldehyde possesses similar effects as MUC, and we compare the effects to that of formaldehyde. The fact that glutaraldehyde and formaldehyde have been associated with induction of leukemia as well as disturbance of hematopoiesis, strengthens the possible link between the effect of MUC on gap junctions, and the toxic effects of benzene.

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

    SciTech Connect (OSTI)

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

    1990-02-01

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

  11. Reactions of the CN Radical with Benzene and Toluene: Product Detection and Low-Temperature Kinetics

    SciTech Connect (OSTI)

    Trevitt, Adam J.; Goulay, Fabien; Taatjes, Craig A.; Osborn, David L.; Leone, Stephen R.

    2009-12-23

    Low temperature rate coefficients are measured for the CN + benzene and CN + toluene reactions using the pulsed Laval nozzle expansion technique coupled with laser-induced fluorescence detection. The CN + benzene reaction rate coefficient at 105, 165 and 295 K is found to be relatively constant over this temperature range, 3.9 - 4.9 x 10-10 cm3 molecule-1 s-1. These rapid kinetics, along with the observed negligible temperature dependence, are consistent with a barrierless reaction entrance channel and reaction efficiencies approaching unity. The CN + toluene reaction is measured to have a slower rate coefficient of 1.3 x 10-10 cm3 molecule-1 s-1 at 105 K. At room temperature, non-exponential decay profiles are observed for this reaction that may suggest significant back-dissociation of intermediate complexes. In separate experiments, the products of these reactions are probed at room temperature using synchrotron VUV photoionization mass spectrometry. For CN + benzene, cyanobenzene (C6H5CN) is the only product recorded with no detectable evidence for a C6H5 + HCN product channel. In the case of CN + toluene, cyanotoluene (NCC6H4CH3) constitutes the only detected product. It is not possible to differentiate among the ortho, meta and para isomers of cyanotoluene because of their similar ionization energies and the ~;; 40 meV photon energy resolution of the experiment. There is no significant detection of benzyl radicals (C6H5CH2) that would suggest a H-abstraction or a HCN elimination channel is prominent at these conditions. As both reactions are measured to be rapid at 105 K, appearing to have barrierless entrance channels, it follows that they will proceed efficiently at the temperatures of Saturn?s moon Titan (~;;100 K) and are also likely to proceed at the temperature of interstellar clouds (10-20 K).

  12. Structural Relaxation and Mode Coupling in a Simple Liquid: Depolarized Light Scattering in Benzene

    E-Print Network [OSTI]

    Sabine Wiebel; Joachim Wuttke

    2002-04-18

    We have measured depolarized light scattering in liquid benzene over the whole accessible temperature range and over four decades in frequency. Between 40 and 180 GHz we find a susceptibility peak due to structural relaxation. This peak shows stretching and time-temperature scaling as known from $\\alpha$ relaxation in glass-forming materials. A simple mode-coupling model provides consistent fits of the entire data set. We conclude that structural relaxation in simple liquids and $\\alpha$ relaxation in glass-forming materials are physically the same. A deeper understanding of simple liquids is reached by applying concepts that were originally developed in the context of glass-transition research.

  13. JV Task 86 - Identifying the Source of Benzene in Indoor Air Using Different Compound Classes from TO-15 Data

    SciTech Connect (OSTI)

    Steven B. Hawthorne

    2007-04-15

    Volatile organic compound (VOC) data that had already been collected using EPA method TO-15 at four different sites under regulatory scrutiny (a school, strip mall, apartment complex, and business/residential neighborhood) were evaluated to determine whether the source of indoor air benzene was outdoor air or vapor intrusion from contaminated soil. Both the use of tracer organics characteristic of different sources and principal component statistical analysis demonstrated that the source of indoor air at virtually all indoor sampling locations was a result of outdoor air, and not contaminated soil in and near the indoor air-sampling locations. These results show that proposed remediation activities to remove benzene-contaminated soil are highly unlikely to reduce indoor air benzene concentrations. A manuscript describing these results is presently being prepared for submission to a peer-reviewed journal.

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

    SciTech Connect (OSTI)

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

    2011-01-15

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

  15. Adsorption, Desorption, and Dissociation of Benzene on TiO2(110) and Pd/TiO2(110)

    SciTech Connect (OSTI)

    Zhou, Jing; Dag, Sefa; Senanayake, Sanjaya D; Hathorn, Bryan C; Kalinin, Sergei V; Meunier, Vincent; Mullins, David R; Overbury, Steven {Steve} H; Baddorf, Arthur P

    2006-01-01

    Adsorption and reaction of benzene molecules on clean TiO{sub 2}(110) and on TiO{sub 2}(110) with deposited Pd nanoparticles are investigated using a combination of scanning tunneling microscopy (STM), temperature-programmed desorption, and first-principles calculations. Above {approx}50 K, the one-dimensional motion of benzene between bridging oxygen rows is shown to be too fast for STM imaging. At 40 K benzene molecules form chains on top of titanium rows, with calculations indicating every other benzene is rotated 30{sup o}. Both experimental and theoretical studies find no dissociative reactivity of benzene on the clean TiO{sub 2}(110) surface, due to little hybridization between TiO{sub 2} and benzene electronic states. After deposition of Pd nanoparticles, molecular benzene is observed with STM both on the substrate and adjacent to metallic particles. Upon heating to 800 K, benzene fully breaks down into its atomic constituents in a multistep decomposition process.

  16. Phase Behaviour of Carbon Dioxide + Benzene + Water Ternary Mixtures at High Pressures and Temperatures up to 300 MPa and 600 K

    E-Print Network [OSTI]

    1 Phase Behaviour of Carbon Dioxide + Benzene + Water Ternary Mixtures at High Pressures for the phase coexistence of carbon dioxide + benzene + water ternary mixtures. Phase coexistence was observed exceptions are the systematic studies6-9 of ternary mixtures containing carbon dioxide with large alkanes

  17. CH-{\\pi} interaction-induced deep orbital deformation in a benzene-methane weak binding system

    E-Print Network [OSTI]

    Li, Jianfu

    2015-01-01

    The nonbonding interaction between benzene and methane, called CH-{\\pi} interaction, plays an important role in physical, chemical, and biological fields. CH-{\\pi} interaction can decrease the system total energy and promote the formation of special geometric configurations. This work investigates systemically the orbital distribution and composition of the benzene-methane complex for the first time using ab initio calculation based on different methods and basis sets. Surprisingly, we find strong deformation in HOMO-4 and LUMO+2 induced by CH-{\\pi} interaction, extending the general view that nonbonding interaction does not cause orbital change of molecules.

  18. Adsorption and Electronic States of Benzene on Ordered MgO and Al2O3 Thin Films S. C. Street, Q. Guo, C. Xu, and D. W. Goodman*

    E-Print Network [OSTI]

    Goodman, Wayne

    Adsorption and Electronic States of Benzene on Ordered MgO and Al2O3 Thin Films S. C. Street, Q structure of benzene (C6H6) on thin film MgO(100)/Mo(100) and highly ordered Al2O3/Mo(110) substrates have, upright (end-on) adsorption of benzene on the monolayer-covered surface. Large exposures of benzene yield

  19. Hanna, A., J. Vukovich, S. Arunachalam, D. Loughlin, H.C. Frey, J. Touma, J. Irwin, and V. Isakov, "Assessment of Uncertainty in Benzene Concentration Estimates in the Houston, TX, Area," Proceedings, Annual Meeting of the Air &

    E-Print Network [OSTI]

    Frey, H. Christopher

    , "Assessment of Uncertainty in Benzene Concentration Estimates in the Houston, TX, Area," Proceedings, Annual & Waste Management Association, Pittsburgh, PA, June 2004 1 Assessment of Uncertainty in Benzene for a particular urban area. We present the results of a case study involving benzene emissions in the Houston area

  20. Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYP Density-Functional Theory (DFT) and ab Initio Second Order Mller-Plesset Perturbation

    E-Print Network [OSTI]

    Sussman, Joel L.

    Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYP Density theoretical investigation of the tetramethylammonium(TMA)-benzene and TMA-pyrrole complexes has been performed density in the 5 6 aromatic system of pyrrole is larger than that in the 6 6 system of benzene

  1. Exposure Evaluation for Benzene, Lead and Noise in Vehicle and Equipment Repair Shops

    SciTech Connect (OSTI)

    Sweeney, Lynn C.

    2013-04-10

    An exposure assessment was performed at the equipment and vehicle maintenance repair shops operating at the U. S. Department of Energy Hanford site, in Richland, Washington. The maintenance shops repair and maintain vehicles and equipment used in support of the Hanford cleanup mission. There are three general mechanic shops and one auto body repair shop. The mechanics work on heavy equipment used in construction, cranes, commercial motor vehicles, passenger-type vehicles in addition to air compressors, generators, and farm equipment. Services include part fabrication, installation of equipment, repair and maintenance work in the engine compartment, and tire and brake services. Work performed at the auto body shop includes painting and surface preparation which involves applying body filler and sanding. 8-hour time-weighted-average samples were collected for benzene and noise exposure and task-based samples were collected for lead dust work activities involving painted metal surfaces. Benzene samples were obtained using 3M™ 3520 sampling badges and were analyzed for additional volatile organic compounds. These compounds were selected based on material safety data sheet information for the aerosol products used by the mechanics for each day of sampling. The compounds included acetone, ethyl ether, toluene, xylene, VM&P naphtha, methyl ethyl ketone, and trichloroethylene. Laboratory data for benzene, VM&P naphtha, methyl ethyl ketone and trichloroethylene were all below the reporting detection limit. Airborne concentrations for acetone, ethyl ether, toluene and xylene were all less than 10% of their occupational exposure limit. The task-based samples obtained for lead dusts were submitted for a metal scan analysis to identify other metals that might be present. Laboratory results for lead dusts were all below the reporting detection limit and airborne concentration for the other metals observed in the samples were less than 10% of the occupational exposure limit. Noise dosimetry sampling was performed on a random basis and was representative of the different work activities within the four shops. Twenty three percent of the noise samples exceeded the occupational exposure limit of 85 decibels for an 8-hour time-weightedaverage. Work activities where noise levels were higher included use of impact wrenches and grinding wheels.

  2. Changes in the peripheral blood transcriptome associated with occupational benzene exposure identified by cross-comparison on two microarray platforms

    SciTech Connect (OSTI)

    McHale, Cliona M.; Zhang, Luoping; Lan, Qing; Li, Guilan; Hubbard, Alan E.; Forrest, Matthew S.; Vermeulen, Roel; Chen, Jinsong; Shen, Min; Rappaport, Stephen M.; Yin, Songnian; Smith, Martyn T.; Rothman, Nathaniel

    2009-03-01

    Benzene is an established cause of leukemia and a possible cause of lymphoma in humans but the molecular pathways underlying this remain largely undetermined. This study sought to determine if the use of two different microarray platforms could identify robust global gene expression and pathway changes associated with occupational benzene exposure in the peripheral blood mononuclear cell (PBMC) gene expression of a population of shoe-factory workers with well-characterized occupational exposures to benzene. Microarray data was analyzed by a robust t-test using a Quantile Transformation (QT) approach. Differential expression of 2692 genes using the Affymetrix platform and 1828 genes using the Illumina platform was found. While the overall concordance in genes identified as significantly associated with benzene exposure between the two platforms was 26% (475 genes), the most significant genes identified by either array were more likely to be ranked as significant by the other platform (Illumina = 64%, Affymetrix = 58%). Expression ratios were similar among the concordant genes (mean difference in expression ratio = 0.04, standard deviation = 0.17). Four genes (CXCL16, ZNF331, JUN and PF4), which we previously identified by microarray and confirmed by real-time PCR, were identified by both platforms in the current study and were among the top 100 genes. Gene Ontology analysis showed over representation of genes involved in apoptosis among the concordant genes while Ingenuity{reg_sign} Pathway Analysis (IPA) identified pathways related to lipid metabolism. Using a two-platform approach allows for robust changes in the PBMC transcriptome of benzene-exposed individuals to be identified.

  3. Genotoxicity and apoptosis in Drosophila melanogaster exposed to benzene, toluene and xylene: Attenuation by quercetin and curcumin

    SciTech Connect (OSTI)

    Singh, Mahendra P.; Mishra, M.; Sharma, A.; Shukla, A.K.; Mudiam, M.K.R.; Patel, D.K.; Ram, K. Ravi; Chowdhuri, D. Kar

    2011-05-15

    Monocyclic aromatic hydrocarbons (MAHs) such as benzene, toluene and xylene are being extensively used for various industrial and household purposes. Exposure to these hydrocarbons, occupationally or non-occupationally, is harmful to organisms including human. Several studies tested for toxicity of benzene, toluene and xylene, and interestingly, only a few studies looked into the attenuation. We used Drosophila model to test the genotoxic and apoptotic potential of these compounds and subsequently evaluated the efficiency of two phytochemicals, namely, quercetin and curcumin in attenuating test chemical induced toxicity. We exposed third instar larvae of wild type Drosophila melanogaster (Oregon R{sup +}) to 1.0-100.0 mM benzene, toluene or xylene, individually, for 12, 24 and 48 h and examined their apoptotic and genotoxic potential. We observed significantly (P < 0.001) increased apoptotic markers and genotoxicity in a concentration- and time-dependent manner in organisms exposed to benzene, toluene or xylene. We also observed significantly (P < 0.001) increased cytochrome P450 activity in larvae exposed to test chemicals and this was significantly reduced in the presence of 3',4'-dimethoxyflavone, a known Aryl hydrocarbon receptor (AhR) blocker. Interestingly, we observed a significant reduction in cytochrome P450 activity, GST levels, oxidative stress parameters, genotoxic and apoptotic endpoints when organisms were exposed simultaneously to test chemical along with quercetin or curcumin. The study further suggests the suitability of D. melanogaster as an alternate animal model for toxicological studies involving benzene, toluene and xylene and its potential in studying the protective role(s) of phytochemicals.

  4. Some new progress on the light absorption properties of linear alkyl benzene solvent

    E-Print Network [OSTI]

    Guang-You Yu; De-Wen Cao; Ai-Zhong Huang; Lei Yu; Chang-Wei Loh; Wen-Wen Wang; Zhi-Qiang Qian; Hai-Bo Yang; Huang Huang; Zong-Qiang Xu; Xue-Yuan Zhu; Bin Xu; Ming Qi

    2015-04-22

    Linear alkyl benzene (LAB) will be used as the solvent of a liquid scintillator mixture for the JUNO antineutrino experiment in the near future. Its light absorption property should therefore be understood prior to its effective use in the experiment. Attenuation length measurements at a light wavelength of 430 nm have been performed on samples of LAB prepared for the purpose of the JUNO experiment. Inorganic impurities in LAB have also been studied for their possibilities of light absorption in our wavelength of interest. In view of a tentative plan by the JUNO collaboration to utilize neutron capture with hydrogen in the detector, we have also presented in this work, a study on the carbon-hydrogen ratio and the relationship thereof with the attenuation length of the samples.

  5. Some new progress on the light absorption properties of linear alkyl benzene solvent

    E-Print Network [OSTI]

    Yu, Guang-You; Huang, Ai-Zhong; Yu, Lei; Loh, Chang-Wei; Wang, Wen-Wen; Qian, Zhi-Qiang; Yang, Hai-Bo; Huang, Huang; Xu, Zong-Qiang; Zhu, Xue-Yuan; Xu, Bin; Qi, Ming

    2015-01-01

    Linear alkyl benzene (LAB) will be used as the solvent of a liquid scintillator mixture for the JUNO antineutrino experiment in the near future. Its light absorption property should therefore be understood prior to its effective use in the experiment. Attenuation length measurements at a light wavelength of 430 nm have been performed on samples of LAB prepared for the purpose of the JUNO experiment. Inorganic impurities in LAB have also been studied for their possibilities of light absorption in our wavelength of interest. In view of a tentative plan by the JUNO collaboration to utilize neutron capture with hydrogen in the detector, we have also presented in this work, a study on the carbon-hydrogen ratio and the relationship thereof with the attenuation length of the samples.

  6. ContentsContents3399the normal distribution

    E-Print Network [OSTI]

    Vickers, James

    ContentsContents3399the normal distribution 1. The normal distribution 2. The normal approximation to the binomial distribution 3. Sums and differences of random variables Learning outcomes In a previous Workbook of a continuous random variables: the normal distribution. The probabilities of the normal distribution have

  7. ContentsContents4343Regression and correlation

    E-Print Network [OSTI]

    Vickers, James

    ContentsContents4343Regression and correlation 1. Regression 2. Correlation Learning outcomes You. 1 #12;Regression 43.1 Introduction Problems in engineering often involve the exploration of the relationship(s) between two or more variables. The technique of regression analysis is very useful and well

  8. ContentsContents1133integration integration

    E-Print Network [OSTI]

    Vickers, James

    ContentsContents1133integration integration 1. Basic concepts of integration 2. Definite integrals 3. The area bounded by a curve 4. Integration by parts 5. Integration by substitution and using partial fractions 6. Integration of trigonometric functions Learning outcomes In this workbook you

  9. Thermodynamic Features of Benzene-1,2-Diphosphonic Acid Complexes with Several Metal Ions

    SciTech Connect (OSTI)

    Syouhei Nishihama; Ryan P. Witty; Leigh R Martin; Kenneth L. Nash

    2013-08-01

    Among his many contributions to the advancement of f-element chemistry and separation science, Professor Gregory R. Choppin’s research group completed numerous investigations featuring the application of distribution techniques to the determination of metal complexation equilibrium quotients. Most of these studies focused on the chemistry of lanthanide and actinide complexes. In keeping with that tradition, this report discusses the complex formation equilibrium constants for complexes of trivalent europium (Eu3+) with benzene-1,2-diphosphonic acid (H4BzDP) determined using solvent extraction distribution experiments in 0.2 M (Na,H)ClO4 media in the temperature range of 5 – 45 degrees C. Protonation constants for HnBzDP4-n and stoichiometry and stability of BzDP4- complexes with Zn2+, Ni2+, and Cu2+ have also been determined using potentiometric titration (at I = 0.1 M) and 31P NMR spectroscopy. Heats of protonation of HnBzDPn-4 species have been determined by titration calorimetry. From the temperature dependence of the complex Eu3+-HnBzDPn-4 equilibrium constant, a composite enthalpy (?H = -15.1 (+/-1.0) kJ mol-1) of complexation has been computed. Comparing these thermodynamic parameters with literature reports on other diphosphonic acids and structurally similar carboxylic acids indicates that exothermic heats of complexation are unique to the Eu-BzDP system. Comparisons with thermodynamic data from the literature indicate that the fixed geometry imposed by the benzene ring enhances complex stability.

  10. CONTENT MODEL HOW-TO

    Energy Science and Technology Software Center (OSTI)

    003241MLTPL00 Content Model Guidelines  https://github.com/usgin/usginspecs/wiki/Content-Model-Guidelines 

  11. Ex 7.6(a) The vapor pressure of benzene is 400 Torr at 60.6C, but it fell to 386 Torr when 19.0 g of an involatile organic compound was dissolved in 500 g of benzene. Calculate the

    E-Print Network [OSTI]

    Findley, Gary L.

    Ex 7.6(a) The vapor pressure of benzene is 400 Torr at 60.6°C, but it fell to 386 Torr when 19.0 g of an involatile organic compound was dissolved in 500 g of benzene. Calculate the molar mass of the involatile

  12. Sodium dodecyl benzene sulfonate-assisted synthesis through a hydrothermal reaction

    SciTech Connect (OSTI)

    Sobhani, Azam; Salavati-Niasari, Masoud; Institute of Nano Science and Nano Technology, University of Kashan, Kashan, P.O. Box 87317–51167, Islamic Republic of Iran

    2012-08-15

    Graphical abstract: Reaction of a SeCl{sub 4} aqueous solution with a NiCl{sub 2}·6H{sub 2}O aqueous solution in presence of sodium dodecyl benzene sulfonate (SDBS) as capping agent and hydrazine (N{sub 2}H{sub 4}·H{sub 2}O) as reductant, produces nanosized nickel selenide through a hydrothermal method. The effect of temperature, reaction time and amounts of reductant on the morphology, particle sizes of NiSe nanostructures has been investigated. Highlights: ? NiSe nanostructures were synthesized by hydrothermal method. ? A novel Se source was used to synthesize NiSe. ? SDBS as capping agent plays a crucial role on the morphology of products. ? A mixture of Ni{sub 3}Se{sub 2} and NiSe was prepared in the presence of 2 ml hydrazine. ? A pure phase of NiSe was prepared in the presence of 4 or 6 ml hydrazine. -- Abstract: The effects of the anionic surfactant on the morphology, size and crystallization of NiSe precipitated from NiCl{sub 2}·6H{sub 2}O and SeCl{sub 4} in presence of hydrazine (N{sub 2}H{sub 4}·H{sub 2}O) as reductant were investigated. The products have been successfully synthesized in presence of sodium dodecyl benzene sulfonate (SDBS) as surfactant via an improved hydrothermal route. A variety of synthesis parameters, such as reaction time and temperature, capping agent and amount of reducing agent have a significant effect on the particle size, phase purity and morphology of the obtained products. The sample size became bigger with decreasing reaction temperature and increasing reaction time. In the presence of 2 ml hydrazine, the samples were found to be the mixture of Ni{sub 3}Se{sub 2} and NiSe. With increasing the reaction time and amount of hydrazine a pure phase of hexagonal NiSe was obtained. X-ray diffraction analysis (XRD), scanning electron microscope (SEM) and transmission electron microscopy (TEM) images indicate phase, particle size and morphology of the products. Chemical composition and purity of the products were characterized by X-ray energy dispersive spectroscopy (EDS). Photoluminescence (PL) was used to study the optical properties of NiSe samples.

  13. High-harmonic generation in benzene with linearly- and circularly-polarised laser pulses

    E-Print Network [OSTI]

    Wardlow, Abigail

    2015-01-01

    High harmonic generation in benzene is studied using a mixed quantum-classical approach in which the electrons are described using time-dependent density functional theory while the ions move classically. The interaction with both circularly- and linearly-polarised infra-red ($\\lambda = 800$ nm) laser pulses of duration 10 cycles (26.7 fs) is considered. The effect of allowing the ions to move is investigated as is the effect of including self-interaction corrections to the exchange-correlation functional. Our results for circularly-polarised pulses are compared with previous calculations in which the ions were kept fixed and self-interaction corrections were not included while our results for linearly-polarised pulses are compared with both previous calculations and experiment. We find that even for the short duration pulses considered here, the ionic motion greatly influences the harmonic spectra. While ionization and ionic displacements are greatest when linearly-polarised pulses are used, the response to ...

  14. SCHOOLOFSCIENCE Table of Contents

    E-Print Network [OSTI]

    Varela, Carlos

    SCHOOLOFSCIENCE Table of Contents Degrees Offered and Associated Departments 330 Overview Environmental Science 403 Interdisciplinary Science 407 Multidisciplinary Science 409 The Darrin Fresh Water

  15. CONTENTS PAGE INTRODUCTION

    E-Print Network [OSTI]

    Aslaksen, Helmer

    THE APPLICATIONS AND VALIDITY OF BODE'S LAW CAN WE EXPLAIN BODE'S LAW USING GRAVITY? 8 Law of Gravitation 8 Centre#12;#12;CONTENTS CONTENTS PAGE INTRODUCTION WHO, HOW AND WHEN IS THE BODE'S LAW DISCOVERED? 1 THE BODE'S LAW HOW THE BODE'S LAW SATISFIED URANUS 3 HOW THE BODE'S LAW LED TO THE DISCOVERY OF CERES

  16. Benchmark Theoretical Study of the ?–? Binding Energy in the Benzene Dimer

    SciTech Connect (OSTI)

    Miliordos, Evangelos; Apra, Edoardo; Xantheas, Sotiris S.

    2014-09-04

    We establish a new estimate for the interaction energy between two benzene molecules in the parallel displaced (PD) conformation by systematically converging (i) the intra- and intermolecular geometry at the minimum geometry, (ii) the expansion of the orbital basis set and (iii) the level of electron correlation. The calculations were performed at the second order Møller - Plesset perturbation (MP2) and the Coupled Cluster including Singles, Doubles and a perturbative estimate of Triples replacements [CCSD(T)] levels of electronic structure theory. At both levels of theory, by including results corrected for Basis Set Superposition Error (BSSE), we have estimated the Complete Basis Set (CBS) limit by employing the family of Dunning’s correlation consistent polarized valence basis sets. The largest MP2 calculation was performed with the cc-pV6Z basis set (2,772 basis functions), whereas the largest CCSD(T) calculation with the cc-pV5Z basis set (1,752 basis functions). The cluster geometries were optimized with basis sets up to quadruple-? quality, observing that both its intra- and inter-molecular parts have practically converged with the triple-? quality sets. The use of converged geometries was found to play an important role for obtaining accurate estimates for the CBS limits. Our results demonstrate that the binding energies with the families of the plain (cc-pVnZ) and augmented (aug-cc-pVnZ) sets converge [to within < 0.01 kcal/mol for MP2 and < 0.15 kcal/mol for CCSD(T)] to the same CBS limit. In addition, the average of the uncorrected and BSSEcorrected binding energies was found to converge to the same CBS limit must faster than either of the two constituents (uncorrected or BSSE-corrected binding energies). Due to the fact that the family of augmented basis sets (especially for the larger sets) causes serious linear dependency problems, the plain basis sets (for which no linear dependencies were found) are deemed as a more efficient and straightforward path for obtaining an accurate CBS limit. We considered extrapolations of the uncorrected (?𝐸) and BSSE-corrected (?𝐸!") binding energies, their average value (?𝐸!"#) as well as the average of the latter over the plain and augmented sets (?𝐸!"#) with the cardinal number of the basis set n. Our best estimate of the CCSD(T)/CBS limit for the ?-? interaction energy in the PD benzene dimer is De = 2.65 ± 0.02 kcal/mol. The best CCSD(T)/cc-pV5Z calculated value is 2.62 kcal/mol, just 0.03 kcal/mol away from the CBS limit. For comparison, the MP2/CBS limit estimate is 5.00 ± 0.01 kcal/mol, demonstrating a 90% overbinding with respect to CCSD(T). The Spin-Component-Scaled (SCS) MP2 variant was found to closely reproduce the CCSD(T) results for each basis set, while Scaled-Opposite-Spin (SOS) yielded results that are too low when compared to CCSD(T).

  17. Laboratory investigations of the interaction between benzene and bare silicate grain surfaces

    E-Print Network [OSTI]

    J. D. Thrower; M. P. Collings; F. J. M. Rutten; M. R. S. McCoustra

    2008-12-17

    Experimental results on the thermal desorption of benzene (C6H6) from amorphous silica (SiO2) are presented. The amorphous SiO2 substrate was imaged using atomic force microscopy (AFM), revealing a surface morphology reminiscent of that of interplanetary dust particles (IDPs). Temperature programmed desorption (TPD) experiments were conducted for a wide range of C6H6 exposures, yielding information on both C6H6-SiO2 interactions and the C6H6-C6H6 interactions present in the bulk C6H6 ice. The low coverage experiments reveal complicated desorption behaviour that results both from porosity and roughness in the SiO2 substrate, and repulsive interactions between C6H6 molecules. Kinetic parameters were obtained through a combination of direct analysis of the TPD traces and kinetic modelling, demonstrating the coverage dependence of both desorption energy and pre-exponential factor. Experiments were also performed whereby the pores were blocked by pre-exposure of the SiO2 to water vapour. C6H6 was observed to be adsorbed preferentially on the SiO2 film not covered by H2O at the temperature at which these experiments were performed. This observation means that intermolecular repulsion likely becomes important at smaller C6H6 exposures on grains with a H2O mantle. Kinetic modelling of C6H6 multilayer desorption yields kinetic parameters in good agreement with previous studies, with the SiO2 having little impact on the desorption beyond the first few layers.

  18. Impact of the revised OSHA exposure standard on evaluation and control of benzene and other volatile organic chemicals in the liquid petroleum pipeline industry

    SciTech Connect (OSTI)

    Mercer, D.O.

    1989-01-01

    The primary purpose of this study was to determine the benzene exposure potential of workers in the liquid petroleum pipeline industry and to assess the impact of compliance with the revised standard on this industry. In addition, exposure to ethylene dibromide (EDB), and ethylene dichloride (EDC), which have toxicological profiles similar to that of benzene and are routinely found in this industry, were evaluated and appropriate control protocols were recommended. Exposure potential to benzene in excess of the 0.5 ppm (8-hour TWA) OSHA action level was shown to be limited to three free product handling operations, and that this increased exposure potential was dependent on the length of time necessary to perform the operations. The incidence and magnitude of benzene overexposure was not severe and control could be accomplished with engineering methods, along with work practice controls and personal protective equipment. Through application of a risk assessment model it was shown that 14 excess leukemia deaths per one thousand workers could be expected in the employee population that routinely performs those operation having maximum benzene exposure potential. This compares to less than on excess leukemia death per one thousand workers in the total work population. The evaluation of EDB and EDC indicated that exposure potential to EDB was of greatest concern. Even though exposure could be limited through application of standard industrial hygiene methods, any control protocol short of total elimination of EDB from the product stream may be not sufficient to reduce exposure to accepted levels.

  19. Advanced Article Article Contents

    E-Print Network [OSTI]

    O'Shea, Paul

    -reduction) WILEY ENCYCLOPEDIA OF CHEMICAL BIOLOGY 2008, John Wiley & Sons, Inc. 1 #12;Membrane PotentialsAdvanced Article Article Contents · Biological Background · Physical Chemistry Background of Biological Roles and of Tech- nologies for Measurement Membrane Potentials in Living Systems, Tools

  20. SCHOOLOFSCIENCE Table of Contents

    E-Print Network [OSTI]

    Varela, Carlos

    SCHOOLOFSCIENCE Table of Contents Degrees Offered and Associated Departments 324 Overview The Darrin Fresh Water Institute 401 New York Center for Studies on the Origins of Life 402 New York State

  1. Raman Spectroscopy of the Reaction of Thin Films of Solid-State Benzene with Vapor-Deposited Ag, Mg, and Al

    SciTech Connect (OSTI)

    Schalnat, Matthew C.; Hawkridge, Adam M.; Pemberton, Jeanne E.

    2011-07-21

    Thin films of solid-state benzene at 30 K were reacted with small quantities of vapor-deposited Ag, Mg, and Al under ultrahigh vacuum, and products were monitored using surface Raman spectroscopy. Although Ag and Mg produce small amounts of metal–benzene adduct products, the resulting Raman spectra are dominated by surface enhancement of the normal benzene modes from metallic nanoparticles suggesting rapid Ag or Mg metallization of the film. In contrast, large quantities of Al adduct products are observed. Vibrational modes of the products in all three systems suggest adducts that are formed through a pathway initiated by an electron transfer reaction. The difference in reactivity between these metals is ascribed to differences in ionization potential of the metal atoms; ionization potential values for Ag and Mg are similar but larger than that for Al. These studies demonstrate the importance of atomic parameters, such as ionization potential, in solid-state metal–organic reaction chemistry.

  2. Multielectron effects in high harmonic generation in N_2 and benzene: simulation using a non-adiabatic quantum molecular dynamics approach for laser-molecule interactions

    E-Print Network [OSTI]

    Dundas, Daniel

    2012-01-01

    A mixed quantum-classical approach is introduced which allows the dynamically response of molecules driven far from equilibrium to be modeled. This method is applied here to the interaction of molecules with intense, short-duration laser pulses. The electronic response of the molecule is described using time-dependent density functional theory (TDDFT) and the resulting Kohn-Sham equations are solved numerically using finite difference techniques in conjunction with local and global adaptations of an underlying grid in curvilinear coordinates. Using this approach, simulations can be carried out for a wide range of molecules and both all-electron and pseudopotential calculations can be performed. The approach is applied to the study of high harmonic generation in N_2 and benzene using linearly-polarized laser pulses and to the best of our knowledge, the results for benzene represent the first TDDFT calculations of high harmonic generation in benzene using linearly polarized laser pulses. For N_2 an enhancement ...

  3. SuStainability table of contentS

    E-Print Network [OSTI]

    Karonis, Nicholas T.

    SuStainability table of contentS executive Summary-Related Sustainability Options ........................................... 41 Information Technology Infrastucture #12;sustainability 2 Private Giving

  4. of Your Food Contents Page

    E-Print Network [OSTI]

    B-1400 8/11 of Your Food Content The Sodium #12;Contents Page Introduction.......................................................................................3 Sodium content of foods Beverages and fruit juices activity, and encourages Americans to consume more healthy foods like vegetables, fruits, seafood, whole

  5. Facile preparation of sphere-like copper ferrite nanostructures and their enhanced visible-light-induced photocatalytic conversion of benzene

    SciTech Connect (OSTI)

    Shen, Yu; Wu, Yanbo; Xu, Hongfeng; Fu, Jie; Li, Xinyong; Zhao, Qidong; Hou, Yang

    2013-10-15

    Graphical abstract: - Highlights: • Spinel CuFe{sub 2}O{sub 4} nanospheres were successfully synthesized via a facile method. • CuFe{sub 2}O{sub 4} nanospheres showed high photocatalytic activity toward benzene. • Ethyl acetate, carboxylic acid and aldehyde were the intermediate products. - Abstract: Spinel copper ferrite nanospheres with diameters of about 116 nm were synthesized in high yield via a facile solvothermal route. The prepared nanospheres had cubic spinel structure and exhibited good size uniformity and regularity. The band-gap energy of CuFe{sub 2}O{sub 4} nanospheres was calculated to be about 1.69 eV, indicating their potential visible-light-induced photocatalytic activity. The dramatically enhanced photocatalytic activity of the CuFe{sub 2}O{sub 4} nanospheres was evaluated via the photocatalytic conversion of benzene under Xe lamp irradiation. By using the in situ FTIR technique, ethyl acetate, carboxylic acid and aldehyde could be regarded as the intermediate products, and CO{sub 2} was produced as the final product during the reaction process. This study provided new insight into the design and preparation of functional nanomaterials with sphere structure in high yield, and the as-grown architectures demonstrated an excellent ability to remove organic pollutants in the atmosphere.

  6. Hanna, S.R., D. Heinold, R. Paine, H.C. Frey, D. Baker, R. Karp, and H. Feldman, "A Monte Carlo Study of the Uncertainties in Predictions by ISC3ST and AERMOD of Annual Average Benzene and 1,3-Butadiene Concentrations

    E-Print Network [OSTI]

    Frey, H. Christopher

    Study of the Uncertainties in Predictions by ISC3ST and AERMOD of Annual Average Benzene and 1 of Annual Average Benzene and 1,3-Butadiene Concentrations around the Houston Ship Channel Control # 735 is on uncertainties in ISC3ST and AERMOD predictions of annual averaged concentrations of benzene and 1,3-butadiene

  7. Content-Aware Image enhancement

    E-Print Network [OSTI]

    Schettini, Raimondo

    1 Content-Aware Image enhancement R. Schettini www.ivl.disco.unimib.it 8 Faculties, 61 Degree Recognition Content-based retrieval Quality Assessment Content-Aware Image Enhancement Presentation Outline Processing Content aware image enhancement We focus here on image based features. And show how to exploit

  8. Content-Aware Image enhancement

    E-Print Network [OSTI]

    Schettini, Raimondo

    Content-Aware Image enhancement R. Schettini www.ivl.disco.unimib.it #12;8 Faculties, 61 Degree Recognition Content-based retrieval Quality Assessment #12;Content-Aware Image Enhancement Presentation Image Processing Content aware image enhancement We focus here on image based features. And show how

  9. Comparison of benzene hexachloride formulated from high and low gamma concentrates for cotton aphid control 

    E-Print Network [OSTI]

    Raven, Klaus Gustav

    1957-01-01

    by KLAUS GUSTAV RAVEN Approved as to style and content by: (Chairman of Committee) (Head f Department) May 1957 ACKNOWLEDGEMENTS The writer would like to express his sincere appreciation to Dr. D. F. Martin for his constant encouragement and aid... technical material. Several processes have bees developed to soncentrate the gamsa isomer, Host processes are based on tha differential solubility of the ismsars in organic solvents. The solubility may be increased by vary- ing tha temperature...

  10. ISSUE TABLE OF CONTENTS

    E-Print Network [OSTI]

    SPECTRA HOME CURRENT ISSUE TABLE OF CONTENTS TECHNOLOGY BUSINESS PRESSTIME BULLETIN ARTICLE Thomas Young's classic setup for the demonstration of interference features light from one source incident on two vertical slits because the phenomenon occurs only if the light from the slits has a well

  11. Table of Contents Introduction

    E-Print Network [OSTI]

    Nagy, Eric Sándor

    include nitrogen oxides (NOx = NO + NO2 ), nitric acid (HNO3 ), nitrous oxide (N2 O, a greenhouse gas.TheHaber-BoschprocessalsosuppliesNH3 for industrial processes. Anthropogenic sources of nitrogen are twice as large as natural terDRAFT - 1 #12;2 - DRAFT Table of Contents Introduction What is Reactive Nitrogen and Why

  12. Long-term high frequency measurements of ethane, benzene and methyl chloride at Ragged Point, Barbados: Identification of long-range transport events.

    E-Print Network [OSTI]

    Archibald, A. T.; Witham, C. S.; Ashfold, M. J.; Manning, A. J.; O'Doherty, S.; Greally, B. R.; Young, D.; Shallcross, D. E.

    2015-01-01

    Here we present high frequency long-term observations of ethane, benzene and methyl chloride from the AGAGE Ragged Point, Barbados, monitoring station made using a custom built GC-MS system. Our analysis focuses on the first three years of data...

  13. An evaluation of the Gilian TRACEAIR Organic Vapor Monitoring Diffusive Badge in measuring short-term exposure levels of benzene under field conditions 

    E-Print Network [OSTI]

    Pierce, Mark Edward

    1996-01-01

    of sampling at 3 5 to I 00 mL/@n depending on the vapors being sampled. The OVM I badge has been designed to monitor short-term exposure limits (STEL) and long-term limits with only negligible modifications to the badge housing. Side-by-side benzene STEL...

  14. A Content Propagation Metric for Efficient Content Distribution

    E-Print Network [OSTI]

    Keinan, Alon

    A Content Propagation Metric for Efficient Content Distribution Ryan S. Peterson Cornell University@cs.cornell.edu ABSTRACT Efficient content distribution in large networks comprising data- centers, end hosts, and distributed in-network caches is a diffi- cult problem. Existing systems rely on mechanisms and metrics

  15. Web Content Filtering 1 User Guidelines Web content filter guidelines

    E-Print Network [OSTI]

    Swain, Peter

    Web Content Filtering 1 User Guidelines Web content filter guidelines Introduction The basic criterion for blocking a Web page Categories of material which will be blocked Requesting the unblocking of Aberdeen applies a Web Content Filtering service to all web pages accessed from the undergraduate network

  16. Perceptual Experience and Its Contents 

    E-Print Network [OSTI]

    Toribio, Josefa

    2002-01-01

    The contents of perceptual experience, it has been argued, often include a characteristic “non-conceptual” component (Evans, 1982). Rejecting such views, McDowell (1994) claims that such contents are conceptual in ...

  17. Personalized professional content recommendation

    DOE Patents [OSTI]

    Xu, Songhua

    2015-10-27

    A personalized content recommendation system includes a client interface configured to automatically monitor a user's information data stream transmitted on the Internet. A hybrid contextual behavioral and collaborative personal interest inference engine resident to a non-transient media generates automatic predictions about the interests of individual users of the system. A database server retains the user's personal interest profile based on a plurality of monitored information. The system also includes a server programmed to filter items in an incoming information stream with the personal interest profile and is further programmed to identify only those items of the incoming information stream that substantially match the personal interest profile.

  18. Personalized professional content recommendation

    DOE Patents [OSTI]

    Xu, Songhua

    2015-11-05

    A personalized content recommendation system includes a client interface configured to automatically monitor a user's information data stream transmitted on the Internet. A hybrid contextual behavioral and collaborative personal interest inference engine resident to a non-transient media generates automatic predictions about the interests of individual users of the system. A database server retains the user's personal interest profile based on a plurality of monitored information. The system also includes a server programmed to filter items in an incoming information stream with the personal interest profile and is further programmed to identify only those items of the incoming information stream that substantially match the personal interest profile.

  19. NESEA Newsletter Content

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration wouldMass map shines light on77 PAGEMissionStressMoveMuncriefB NESEA Newsletter Content

  20. A density functional theory study of magneto-electric Jones birefringence of noble gases, furan homologues, and mono-substituted benzenes

    SciTech Connect (OSTI)

    Fahleson, Tobias; Norman, Patrick; Coriani, Sonia; Rizzo, Antonio; Rikken, Geert L. J. A.

    2013-11-21

    We report on the results of a systematic ab initio study of the Jones birefringence of noble gases, of furan homologues, and of monosubstituted benzenes, in the gas phase, with the aim of analyzing the behavior and the trends within a list of systems of varying size and complexity, and of identifying candidates for a combined experimental/theoretical study of the effect. We resort here to analytic linear and nonlinear response functions in the framework of time-dependent density functional theory. A correlation is made between the observable (the Jones constant) and the atomic radius for noble gases, or the permanent electric dipole and a structure/chemical reactivity descriptor as the para Hammett constant for substituted benzenes.

  1. Syntheses, structures and properties of silver(I) complexes with flexible 1,3,5-tris(pyridylmethoxyl)benzene ligands

    SciTech Connect (OSTI)

    Wu Gang [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Department of Chemistry and Life Science, Chuzhou University, Chuzhou 239012 (China); Wang Xiaofeng [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Okamura, Taka-aki [Department of Macromolecular Science, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Chen Min [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Sun Weiyin, E-mail: sunwy@nju.edu.c [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Ueyama, Norikazu [Department of Macromolecular Science, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan)

    2010-09-15

    Five new silver(I) complexes [Ag{sub 2}(L{sub 2}){sub 2}](BF{sub 4}){sub 2}.CH{sub 3}CN.CH{sub 3}OH (1), [Ag(L{sub 2})(CF{sub 3}SO{sub 3})] (2), [Ag(L{sub 3})]ClO{sub 4}.CH{sub 3}OH (3), [Ag{sub 2}(L{sub 3}){sub 2}](CF{sub 3}SO{sub 3}){sub 2}.CH{sub 3}CN.CH{sub 3}OH.H{sub 2}O (4) and [Ag(L{sub 3})]PF{sub 6}.2CH{sub 3}CN (5) [L{sub 2}=1,3,5-tris(2-pyridylmethoxyl)benzene, L{sub 3}=1,3,5-tris(3-pyridylmethoxyl)benzene] were synthesized and characterized by single crystal X-ray diffraction analyses. In complexes 1-5, ligands L{sub 2} and L{sub 3} show different conformations and act as three-connectors, while the Ag(I) atom serves as three-connecting node to result in the formation of 2D and 3D frameworks. Complexes 1 and 2 with different counteranions have similar 2D network structure with the same (4,8{sup 2}) topology. Complex 3 has a 3D structure with (10,3)-a topology while complexes 4 and 5 have the same 2D (6,3) topological structure. The results showed that the structure of organic ligands and counteranions play subtle but important role in determining the structure of the complexes. In addition, the photoluminescence and anion-exchange properties of the complexes were investigated in the solid state at room temperature. - Graphical abstract: Five new silver(I) coordination frameworks with different topology were obtained and their structures were determined by single crystal X-ray diffraction studies. The influence of counteranion and ligand on the structure of complexes was discussed, the photoluminescence and anion-exchange properties were reported.

  2. Association of genetic polymorphisms in GADD45A, MDM2, and p14{sup ARF} with the risk of chronic benzene poisoning in a Chinese occupational population

    SciTech Connect (OSTI)

    Sun Pin; Zhang Zhongbin; Wan Junxiang; Zhao Naiqing; Jin Xipeng; Xia Zhaolin

    2009-10-01

    Benzene reactive metabolites can lead to DNA damage and trigger the p53-dependent defense responses to maintain genomic stability. We hypothesized that the p53-dependent genes may play a role in the development of chronic benzene poisoning (CBP). In a case-control study of 303 patients with benzene poisoning and 295 workers occupationally exposed to benzene in south China, we investigated associations between the risk of CBP and polymorphisms in three p53-dependent genes. Potential interactions of these polymorphisms with lifestyle factors were also explored. We found p14{sup ARF} rs3731245 polymorphism was associated with risk of CBP (P = 0.014). Compared with those carrying the GG genotype, individuals carrying p14{sup ARF} rs3731245 GA+AA genotypes had a reduced risk of CBP ([adjusted odds ratio (OR{sub adj}) = 0.57, 95%CI = 0.36-0.89]. Further analysis showed p14{sup ARF} TGA/TAG diplotype was associated with an increased risk of CBP (P = 0.0006), whereas p14{sup ARF} TGG/TAA diplotype was associated with a decreased risk of CBP (P = 0.0000001). In addition, we found individuals carrying both MDM2 Del1518 WW genotype and p14{sup ARF} rs3731245 GA+AA genotypes had a lower risk of CBP (OR{sub adj} = 0.25; 95%CI = 0.10-0.62; P = 0.003). Although these results require confirmation and extension, our findings suggest that genetic polymorphisms in p14{sup ARF} may have an impact on the risk of CBP in the study population.

  3. ContentsContents2424Fourier 1. The Fourier transform

    E-Print Network [OSTI]

    Vickers, James

    ContentsContents2424Fourier transforms 1. The Fourier transform 2. Properties of the Fourier Transform 3. Some Special Fourier Transform Pairs Learning outcomes needs doing Time allocation You mathematical topics this time may vary considerably. 1 #12;The Fourier Transform 24.1 Introduction

  4. CONTENTS 2 1 Motivation 4

    E-Print Network [OSTI]

    Gross, Rudolf

    1 #12;CONTENTS 2 Contents 1 Motivation 4 2 Circuit QED and Two-Resonator Circuit-QED 6 2.1 Coupled Fabrication Parameters 94 D E-beam Sample Holder 96 E Danksagungen 103 #12;1 MOTIVATION 4 1 Motivation

  5. Visual Analysis of Weblog Content

    SciTech Connect (OSTI)

    Gregory, Michelle L.; Payne, Deborah A.; McColgin, Dave; Cramer, Nick O.; Love, Douglas V.

    2007-03-26

    In recent years, one of the advances of the World Wide Web is social media and one of the fastest growing aspects of social media is the blogosphere. Blogs make content creation easy and are highly accessible through web pages and syndication. With their growing influence, a need has arisen to be able to monitor the opinions and insight revealed within their content. In this paper we describe a technical approach for analyzing the content of blog data using a visual analytic tool, IN-SPIRE, developed by Pacific Northwest National Laboratory. We highlight the capabilities of this tool that are particularly useful for information gathering from blog data.

  6. State-selective laser photoionization of neutral benzene molecules ejected from keV ion bombarded C{sub 6}H{sub 6}/Ag{l_brace}111{r_brace}

    SciTech Connect (OSTI)

    Meserole, C. A.; Vandeweert, E.; Chatterjee, R.; Chakraborty, B. R.; Garrison, B. J.; Winograd, N.; Postawa, Z.

    1998-12-16

    One-color two-photon ionization spectroscopy was used to probe state-selectively neutral benzene molecules desorbed from a benzene overlayer physisorbed on a Ag{l_brace}111{r_brace} surface upon 8 keV Ar{sup +} bombardment. Time distributions were measured for benzene molecules ejected in the zero level of the molecular ground state and in the first state of the {nu}{sub 6} ' vibration. These distributions are found to show a strong dependence both on the internal energy of the ejected molecules and the degree of coverage of the Ag surface. Up to monolayer coverages, benzene molecules are ejected by direct collisions with Ag particles sputtered from the underlying substrate. Molecules with higher internal energy leave the surface with a distribution shifted towards lower flight times. At multilayer coverages, a second, thermal-like ejection mechanism gains significance. It is suggested that only molecules excited near the benzene-vacuum interface, survive the ejection process without being deexcited.

  7. manipulating cytosolic PPi content can

    E-Print Network [OSTI]

    Kronzucker, Herbert J.

    content and starch degradation during storage of tubers harvested from different potato varieties. Potato. et al. (1994) Possible involvement of abscisic acid, ethylene and phenolic acids in potato tuber

  8. Atomic Structures of Graphene, Benzene and Methane with Bond Lengths as Sums of the Single, Double and Resonance Bond Radii of Carbon

    E-Print Network [OSTI]

    Raji Heyrovska

    2008-04-25

    Two dimensional layers of graphene are currently drawing a great attention in fundamental and applied nanoscience. Graphene consists of interconnected hexagons of carbon atoms as in graphite. This article presents for the first time the structures of graphene at the atomic level and shows how it differs from that of benzene, due to the difference in the double bond and resonance bond based radii of carbon. The carbon atom of an aliphatic compound such as methane has a longer covalent single bond radius as in diamond. All the atomic structures presented here have been drawn to scale.

  9. Characterization Of The Hydrogenation Products Of Bix (phenylethynyl) Benzene (DEB) Getter Using Combined GC/FTIR/MS, FT-Raman, and ATR Spectroscopies (U)

    SciTech Connect (OSTI)

    Smyrl, N. R.; Powell, G. L.

    2011-06-09

    Organic hydrogen getters are utilized to minimize hydrogen accumulation in sealed systems where such build up could produce either a safety problem from pressure build up or corrosion problem due the hydriding of metals contained in the sealed vessel. DEB (1,4 bis (phenyl ethynyl) benzene) is a hydrogen getter that is based on the palladium catalyzed hydrogenation of triple bonds to single bonds in aromatic aryl compound. DEB is a getter mixed with 25% carbon and 1% Pd and pressed into pellets with some porosity. The reaction mechanisms are complex involving solid state reactions with a heterogeneous catalyst leading to the many intermediates.

  10. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

    SciTech Connect (OSTI)

    Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; Michaelides, Angelos

    2014-10-22

    Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we show that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B?N?H?) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.

  11. Assessing electronic structure approaches for gas-ligand interactions in metal-organic frameworks: The CO{sub 2}-benzene complex

    SciTech Connect (OSTI)

    Witte, Jonathon; Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 ; Neaton, Jeffrey B.; Head-Gordon, Martin; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

    2014-03-14

    Adsorption of gas molecules in metal-organic frameworks is governed by many factors, the most dominant of which are the interaction of the gas with open metal sites, and the interaction of the gas with the ligands. Herein, we examine the latter class of interaction in the context of CO{sub 2} binding to benzene. We begin by clarifying the geometry of the CO{sub 2}–benzene complex. We then generate a benchmark binding curve using a coupled-cluster approach with single, double, and perturbative triple excitations [CCSD(T)] at the complete basis set (CBS) limit. Against this ?CCSD(T)/CBS standard, we evaluate a plethora of electronic structure approximations: Hartree-Fock, second-order Møller-Plesset perturbation theory (MP2) with the resolution-of-the-identity approximation, attenuated MP2, and a number of density functionals with and without different empirical and nonempirical van der Waals corrections. We find that finite-basis MP2 significantly overbinds the complex. On the other hand, even the simplest empirical correction to standard density functionals is sufficient to bring the binding energies to well within 1 kJ/mol of the benchmark, corresponding to an error of less than 10%; PBE-D in particular performs well. Methods that explicitly include nonlocal correlation kernels, such as VV10, vdW-DF2, and ?B97X-V, perform with similar accuracy for this system, as do ?B97X and M06-L.

  12. Correlating Extent of Pt–Ni Bond Formation with Low-temperature Hydrogenation of Benzene and 1,3-butadiene over Supported Pt/Ni Bimetallic Catalysts

    SciTech Connect (OSTI)

    Lonergan, W.; Vlachos, D; Chen, J

    2010-01-01

    Low-temperature hydrogenation of benzene and 1,3-butadiene on supported Pt/Ni catalysts have been used as probe reactions to correlate hydrogenation activity with the extent of Pt-Ni bimetallic bond formation. Pt/Ni bimetallic and Pt and Ni monometallic catalysts were supported on {gamma}-Al{sub 2}O{sub 3} using incipient wetness impregnation. Two sets of bimetallic catalysts were synthesized: one set to study the effect of metal atomic ratio and the other to study the effect of impregnation sequence. Fourier transform infrared spectroscopy (FTIR) CO adsorption studies were performed to characterize the surface composition of the bimetallic nanoparticles, and transmission electron microscopy (TEM) was utilized to characterize the particle size distribution. Batch reactor studies with FTIR demonstrated that all bimetallic catalysts outperformed monometallic catalysts for both benzene and 1,3-butadiene hydrogenation. Within the two sets of bimetallic catalysts, it was found that catalysts with a smaller Pt:Ni ratio possessed higher hydrogenation activity and that catalysts synthesized using co-impregnation had greater activity than sequentially impregnated catalysts. Extended X-ray absorption fine structure (EXAFS) measurements were performed in order to verify the extent of Pt-Ni bimetallic bond formation, which was found to correlate with the hydrogenation activity.

  13. An analysis of van der Waals density functional components: Binding and corrugation of benzene and C60 on boron nitride and graphene

    E-Print Network [OSTI]

    Berland, Kristian

    2013-01-01

    The adsorption of benzene and C60 on graphene and boron nitride (BN) is studied using density functional theory with the non-local correlation functional vdW-DF. By comparing these systems we can systematically investigate their adsorption nature and differences between the two functional versions vdW-DF1 and vdW-DF2. The bigger size of the C60 molecule makes it bind stronger to the surface than benzene, yet the interface between the molecules and the sheets are similar in nature. The binding separation is more sensitive to the exchange variant used in vdW-DF than to the correlation version. This result is related to the exchange and correlation components of the potential energy curve (PEC). We show that a moderate dipole forms for C60 on graphene, unlike for the other adsorption systems. We find that the corrugation is very sensitive to the variant or version of vdW-DF used, in particular the exchange. Further, we show that this sensitivity arise indirectly through the shift in binding separation caused by ...

  14. FTIR study of the photocatalytic degradation of gaseous benzene over UV-irradiated TiO{sub 2} nanoballs synthesized by hydrothermal treatment in alkaline solution

    SciTech Connect (OSTI)

    Zhu, Zhengru [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Sciences and Technology, Dalian University of Technology, Dalian 116024 (China)] [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Sciences and Technology, Dalian University of Technology, Dalian 116024 (China); Li, Xinyong, E-mail: xyli@dlut.edu.cn [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Sciences and Technology, Dalian University of Technology, Dalian 116024 (China)] [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Sciences and Technology, Dalian University of Technology, Dalian 116024 (China); Zhao, Qidong; Qu, Zhenping; Hou, Yang; Zhao, Ling [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Sciences and Technology, Dalian University of Technology, Dalian 116024 (China)] [Key Laboratory of Industrial Ecology and Environmental Engineering and State Key Laboratory of Fine Chemical, School of Environmental Sciences and Technology, Dalian University of Technology, Dalian 116024 (China); Liu, Shaomin [Department of Chemical Engineering, Curtin University of Technology, Perth, WA 6845 (Australia)] [Department of Chemical Engineering, Curtin University of Technology, Perth, WA 6845 (Australia); Chen, Guohua [Department of Chemical and Biomolecular Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)] [Department of Chemical and Biomolecular Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2010-12-15

    In this study, photocatalysts of TiO{sub 2} nanoballs were obtained via a hydrothermal treating of commercial P25 in alkaline solution, and then characterized with SEM, XRD, BET and surface photovoltage spectroscopy techniques. The UV-assisted photodegradation of gaseous benzene over P25 and the prepared TiO{sub 2} nanoballs was monitored by an in situ infrared technique. The results demonstrated that the prepared TiO{sub 2} nanoballs in anatase form were more active than commercial P25 in photocatalytic oxidation of gaseous benzene. The promoted activity of the hydrothermal-treated TiO{sub 2} is attributed to the increasing specific surface area and larger band gap induced by the reduced crystallite size. The spectra of FTIR indicated that weakly adsorbed phenol was formed as the reaction progress. Hydroxyl groups on the surface of TiO{sub 2} nanoballs are able to react with photo-produced phenol, which is then retained on the catalyst surface leading to the progressive deactivation of the catalyst in the gas-solid system.

  15. Table of Contents Deschutes Subbasin Plan

    E-Print Network [OSTI]

    Table of Contents Deschutes Subbasin Plan Table of Contents Executive Summary 1. Purpose and Scope.1. Physical, Natural and Human Landscape ................................................2.1 2.2. Water, Table of Contents Page 1 #12;Table of Contents 7. Limiting Factors and Conditions .........

  16. Regulations and Basic Information Table of Contents

    E-Print Network [OSTI]

    Liskiewicz, Maciej

    Regulations and Basic Information Table of Contents Safe and Effective Use.) for Various Quantities of Water

  17. Table Of Contents Section: Page

    E-Print Network [OSTI]

    US Army Corps of Engineers

    EM 385-1-1 XX Sep 13 i Section 2 SANITATION Table Of Contents Section: Page 02.A General Water......................................................... 2-1 02.D Non-Potable Water and openings. 02.C DRINKING WATER #12;EM 385-1-1 XX Sep 13 2-2 02.C.01 An adequate supply of potable water

  18. THINKING THESIS Table of Contents

    E-Print Network [OSTI]

    Massachusetts at Lowell, University of

    THINKING THESIS GUIDEBOOK #12;#12;Table of Contents Part One: Getting Started 1. What the Honors aides 5. Final Turn in of the Thesis Appendix I. Sample Title Page II. Honors Mentor Declaration Form on to better things. Theodore Roosevelt #12;#12;Honors College Thesis Requirements There are several forms

  19. OUTLOOK BYLAWS Table of Contents

    E-Print Network [OSTI]

    OUTLOOK BYLAWS Table of Contents Article I - Legal Authority to Operate Article II - Scope-in-Chief and Responsible Director Article VIII - Funding of Outlook Article IX - Unused Funds Article X - Composition The publication of Outlook is authorized under a license granted to AUB by decision No. 113 issued by the Lebanese

  20. Table of Contents Executive Summary

    E-Print Network [OSTI]

    McDonald, Kirk

    Table of Contents Page Executive Summary I. Introduction 1 Neutrino Oscillation Results from Solar and Atmospheric Neutrino Data 1 Tables 7 References 5 Figures 9 II. Overview of the Long Baseline Experiment 17 Magnetic Moment, Charge Radius, and Extra Z-bosons 261 VII. Cost and Schedule 265 Project schedule 267 Work

  1. Table of Contents INTRODUCTION 2

    E-Print Network [OSTI]

    O'Mahony, Donal E.

    #12;1 Table of Contents INTRODUCTION 2 SECTION ONE: PRINCIPLES OF GOOD PRACTICE 4 SECTION TWO, it offers a practical guide to staff and volunteers who work with children by outlining a number of fundamental principles of good practice, highlighting the key elements of each one and discussing the issues

  2. Supplemental Material Table of Contents

    E-Print Network [OSTI]

    Kuchta, Shawn R.

    1 Supplemental Material Table of Contents Text on the multiple individuals per population phylogeny: pg 4 Supplemental Figure 1: Phylogram of U. stansburiana populations from the complete data set that included multiple individuals per population. pg 5 Supplemental Table 1: Population locations and years

  3. Student Handbook TABLE OF CONTENTS

    E-Print Network [OSTI]

    Horowitz, Leah S.

    1 Student Handbook 2014-2015 TABLE OF CONTENTS Comprehensive Nondiscrimination Statement 3 Sex Student Handbook Comprehensive Nondiscrimination Policy The provisions of this handbook of the services, programs or activities described in this handbook. The most up-to-date handbook can be found

  4. HOUSING POLICY Table of Contents

    E-Print Network [OSTI]

    HOUSING POLICY Table of Contents Housing Policy Housing Rules and Regulations Appendix I contact: policies@aub.edu.lb. Last updated on: August 14, 2014 #12;HOUSING POLICY Section 1 - Policy Section 2 - Housing Purchase Plan (HPP) Section 3 - Procedure for the Implementation of the Housing

  5. Contents

    E-Print Network [OSTI]

    a crucial insight of Je Smith that external smash products can be internalized. We show that each category of generalized FSP's is isomorphic to the category of.

  6. Contents

    E-Print Network [OSTI]

    Modeling the invasion and spread of contagious diseases in heterogeneous populations; Wayne M. Getz, James O. Lloyd-Smith, Paul C. Cross, Shirli Bar-

  7. CONTENTS

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

    Chapter 3.0 - CRITICAL, SPECIAL, & ENGINEERED LIFTS March 21, 2013 Rev 1 Page 4 6. Two mobile cranes are lifting the load and the load share equals more than 70% of one or both...

  8. Contents

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submit the followingConcentrating Department of Energy'sContango in Cushing?Program

  9. CONTENTS

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D B LReports from the CloudGEGR-N Goods PO 1 of 8 GE4,

  10. CONTENTS

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D B LReports from the CloudGEGR-N Goods PO 1 of 8 GE4, Volume 2,

  11. CONTENTS

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D B LReports from the CloudGEGR-N Goods PO 1 of 8 GE4, Volume 2,

  12. CONTENTS

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 OutreachProductswsicloudwsiclouddenDVA N C E D B LReports from the CloudGEGR-N Goods PO 1 of 8 GE4, Volume 2,8.0 -

  13. Contents

    National Nuclear Security Administration (NNSA)

    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 Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefield Municipal GasAdministration Medal01 Sandia4) AugustA. Geographic Available for® ALOHA A R E A L L

  14. Contents

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustmentsShirleyEnergyTher i n c i p aDepartmentEnergy comparingDeep Vadose Zone - Applied

  15. contents

    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: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effectWorkingLos AlamosSimulation Initiative7 Boundarycontainers | National

  16. Synthesis and characterization of d{sup 10} metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands

    SciTech Connect (OSTI)

    Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin

    2013-06-15

    Seven new coordination polymers [Zn(H{sub 2}L)(mbdc)] (1), [Zn(H{sub 3}L)(btc)] (2), [Zn(H{sub 2}L)(Hbtc)] (3), [Zn(H{sub 2}L)(Hbtc)]·H{sub 2}O (4), [Zn{sub 2}(H{sub 2}L)(btc)(?{sub 2}-OH)] (5), [Cd(H{sub 2}L)(mbdc)] (6) and [Cd{sub 3}(H{sub 2}L){sub 2}(btc){sub 2}(H{sub 2}O)]·5H{sub 2}O (7) were synthesized by reactions of the corresponding metal salt with rigid ligand 1,3-di(1H-imidazol-4-yl)benzene (H{sub 2}L) and different carboxylic acids of 1,3-benzenedicarboxylic acid (H{sub 2}mbdc) and benzene-1,3,5-tricarboxylic acid (H{sub 3}btc), respectively. The results of X-ray crystallographic analysis indicate that complex 1 is 1D chain while 2 is a (3,3)-connected 2D network with Point (Schläfli) symbol of (4,8{sup 2}). Complexes 3 and 6 are 2D networks, 4 is a 3-fold interpenetrating 3D framework with Point (Schläfli) symbol of (6{sup 5},8) and 5 is a (3,8)-connected 2D network with Point (Schläfli) symbol of (3,4{sup 2}){sub 2}(3{sup 4},4{sup 6},5{sup 6},6{sup 8},7{sup 3},8), while 7 is a (3,10)-connected 3D net with Schläfli symbol of (3,4,5){sub 2}(3{sup 4},4{sup 8},5{sup 18},6{sup 12},7{sup 2},8). The thermal stability and photoluminescence of the complexes were investigated. Furthermore, DFT calculations were performed for 2–4 to discuss the temperature controlled self-assembly of the complexes. - Graphical abstract: Seven new coordination polymers with multicarboxylate and rigid ditopic 4-imidazole containing ligands have been obtained and found to show different structures and topologies. - Highlights: • Metal complexes with diverse structures of 1D chain, 2D network and 3D framework. • Mixed ligands of 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate. • Photoluminescence property.

  17. Robust Content-Based MPEG-4 XMT Scene Structure Authentication and Multimedia Content Location

    E-Print Network [OSTI]

    Ottawa, University of

    18 Robust Content-Based MPEG-4 XMT Scene Structure Authentication and Multimedia Content Location-based MPEG-4 XMT standard. XMT allows content authors to exchange their content with other authors, tools-4 XMT structure and its media content. Unlike images or videos, watermarking an XMT structure

  18. The use of acetylene and 1,3-butadiene as tracers for vehicular combustion in urban air and the estimation of the contributions of vehicular emissions to benzene, and alkane concentrations in the Edmonton industrial area

    SciTech Connect (OSTI)

    Bailey, R. [Environment Canada, Edmonton, Alberta (Canada). Prairie and Northern Region; Wong, R. [Alberta Environmental Protection, Edmonton, Alberta (Canada); Dann, T.; Wang, D. [Environment Canada, Gloucester, Ontario (Canada). Environmental Protection Service

    1998-12-31

    Acetylene, propylene and 1,3-butadiene concentrations at two downtown urban sites in Alberta, Canada were used to characterize an area dominated by vehicular emissions. The relationship of acetylene with 1,3-butadiene at the Edmonton industrial site was similar to that observed for the two downtown sites. This suggesting that these volatile organic compounds, VOCs, can be used as tracers for vehicular emissions for the Edmonton industrial area. The tracer VOCs were found to correlate with benzene, n-butane, iso-butane, n-pentane, iso-pentane, n-heptane and n-octane concentrations for the two Alberta downtown sites. The best fit lines from the downtown sites were used to predict daily concentrations of benzene and alkanes at the Edmonton industrial site. During the winter, when benzene levels are predicted to reach a maximum of 4.5 to 6.5 m g/m{sup 3}, it is estimated that industrial sources contribute < 1 m g/m{sup 3} to ambient levels at the Edmonton industrial site. During the summer, when predicted benzene levels are at a minimum of 1 to 2 m g/m{sup 3}, industrial area sources dominate the ambient benzene levels at the Edmonton industrial site, and can contribute up to 6 m g/m{sup 3}. For alkanes, such as butane and pentane, industrial area sources or evaporative storage tank emissions dominate throughout the year. This dominance of industrial sources is also observed for n-heptane and n-octane during summer months. During the winter when predicted n-heptane and n-octane concentrations reach a maximum, 11 to 100% of ambient daily levels can be attributed to vehicular emissions.

  19. Benzene analogues of (quasi-)planar M@B{sub n}H{sub n} compounds (M = V{sup ?}, Cr, Mn{sup +}): A theoretical investigation

    SciTech Connect (OSTI)

    Li, Lifen; Xu, Chang; Jin, Baokang; Cheng, Longjiu

    2013-11-07

    The stability of M@B{sub n}H{sub n} (M = V{sup ?}, Cr, Mn{sup +}; n = 5–8) is investigated by density functional theory. For n = 6–8, the isomers possess (quasi-)planar local minima showed by geometry optimization at TPSSh/6-311+G{sup **} level. All the optimized structures are thermodynamics stable according to the large HOMO-LUMO gap, binding energy, vertical ionization potential, and vertical electron affinity analysis. The peripheral and central atomic radius fit each other best at n = 7 confirmed by the variation of the binding energy values. The availability of d atom orbitals in M for participation in the ?-delocalized bonding with the peripheral ring leads to the aromaticity of the (quasi-)planar structures and makes them the benzene analogues. This work establishes firmly the metal-doped borane rings as a new type of aromatic molecule.

  20. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

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

    Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; Michaelides, Angelos

    2014-10-22

    Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we showmore »that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B?N?H?) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.« less

  1. Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

    SciTech Connect (OSTI)

    Al-Hamdani, Yasmine S.; Michaelides, Angelos; Alfè, Dario; Lilienfeld, O. Anatole von

    2014-11-14

    Density functional theory (DFT) studies of weakly interacting complexes have recently focused on the importance of van der Waals dispersion forces, whereas the role of exchange has received far less attention. Here, by exploiting the subtle binding between water and a boron and nitrogen doped benzene derivative (1,2-azaborine) we show how exact exchange can alter the binding conformation within a complex. Benchmark values have been calculated for three orientations of the water monomer on 1,2-azaborine from explicitly correlated quantum chemical methods, and we have also used diffusion quantum Monte Carlo. For a host of popular DFT exchange-correlation functionals we show that the lack of exact exchange leads to the wrong lowest energy orientation of water on 1,2-azaborine. As such, we suggest that a high proportion of exact exchange and the associated improvement in the electronic structure could be needed for the accurate prediction of physisorption sites on doped surfaces and in complex organic molecules. Meanwhile to predict correct absolute interaction energies an accurate description of exchange needs to be augmented by dispersion inclusive functionals, and certain non-local van der Waals functionals (optB88- and optB86b-vdW) perform very well for absolute interaction energies. Through a comparison with water on benzene and borazine (B{sub 3}N{sub 3}H{sub 6}) we show that these results could have implications for the interaction of water with doped graphene surfaces, and suggest a possible way of tuning the interaction energy.

  2. Quantum effects and anharmonicity in the H{sub 2}-Li{sup +}-benzene complex: A model for hydrogen storage materials

    SciTech Connect (OSTI)

    Kolmann, Stephen J.; D'Arcy, Jordan H.; Jordan, Meredith J. T.

    2013-12-21

    Quantum and anharmonic effects are investigated in H{sub 2}-Li{sup +}-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials. Three- and 8-dimensional quantum diffusion Monte Carlo (QDMC) and rigid-body diffusion Monte Carlo (RBDMC) simulations are performed on potential energy surfaces interpolated from electronic structure calculations at the M05-2X/6-31+G(d,p) and M05-2X/6-311+G(2df,p) levels of theory using a three-dimensional spline or a modified Shepard interpolation. These calculations investigate the intermolecular interactions in this system, with three- and 8-dimensional 0 K H{sub 2} binding enthalpy estimates, ?H{sub bind} (0 K), being 16.5 kJ mol{sup ?1} and 12.4 kJ mol{sup ?1}, respectively: 0.1 and 0.6 kJ mol{sup ?1} higher than harmonic values. Zero-point energy effects are 35% of the value of ?H{sub bind} (0 K) at M05-2X/6-311+G(2df,p) and cannot be neglected; uncorrected electronic binding energies overestimate ?H{sub bind} (0 K) by at least 6 kJ mol{sup ?1}. Harmonic intermolecular binding enthalpies can be corrected by treating the H{sub 2} “helicopter” and “ferris wheel” rotations as free and hindered rotations, respectively. These simple corrections yield results within 2% of the 8-dimensional anharmonic calculations. Nuclear ground state probability density histograms obtained from the QDMC and RBDMC simulations indicate the H{sub 2} molecule is delocalized above the Li{sup +}-benzene system at 0 K.

  3. Alexandria Digital Library Project Content Access Characterization

    E-Print Network [OSTI]

    Janée, Greg

    Alexandria Digital Library Project Content Access Characterization in Digital Libraries Greg Janée · James Frew · David Valentine University of California, Santa Barbara #12;Alexandria Digital Library environments e.g., GIS #12;Alexandria Digital Library Project Janée, Frew, Valentine · Content Access

  4. Energy.gov Content Management System

    Broader source: Energy.gov [DOE]

    Energy.gov Content Management SystemEERE's websites are hosted in Energy.gov's Drupal content management system (CMS), which is maintained by the U.S. Department of Energy's Public Affairs Office.

  5. TABLE OF CONTENTS: Building Executive Definition.......................................................................3

    E-Print Network [OSTI]

    Capogna, Luca

    #12;TABLE OF CONTENTS: Building Executive Definition.......................................................................3 Building Executives Areas of Responsibilities ...................................................................................5 Building Safety and Security Issues

  6. 7, 40654083, 2007 Liquid water content

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    ACPD 7, 4065­4083, 2007 Liquid water content and effective number density Y. Hu et al. Title Page Chemistry and Physics Discussions Global statistics of liquid water content and effective number density: Y. Hu (yongxiang.hu-1@nasa.gov) 4065 #12;ACPD 7, 4065­4083, 2007 Liquid water content and effective

  7. Optimal Rate Allocation in Overlay Content Distribution

    E-Print Network [OSTI]

    Li, Baochun

    Optimal Rate Allocation in Overlay Content Distribution Chuan Wu and Baochun Li Department. This paper addresses the optimal rate allocation problem in overlay content distribution for efficient, these scenarios reflect the contrast between elastic and streaming content distribution, with either per

  8. Content of system design descriptions

    SciTech Connect (OSTI)

    NONE

    1998-10-01

    A System Design Description (SDD) describes the requirements and features of a system. This standard provides guidance on the expected technical content of SDDs. The need for such a standard was recognized during efforts to develop SDDs for safety systems at DOE Hazard Category 2 nonreactor nuclear facilities. Existing guidance related to the corresponding documents in other industries is generally not suitable to meet the needs of DOE nuclear facilities. Across the DOE complex, different contractors have guidance documents, but they vary widely from site to site. While such guidance documents are valuable, no single guidance document has all the attributes that DOE considers important, including a reasonable degree of consistency or standardization. This standard is a consolidation of the best of the existing guidance. This standard has been developed with a technical content and level of detail intended to be most applicable to safety systems at DOE Hazard Category 2 nonreactor nuclear facilities. Notwithstanding that primary intent, this standard is recommended for other systems at such facilities, especially those that are important to achieving the programmatic mission of the facility. In addition, application of this standard should be considered for systems at other facilities, including non-nuclear facilities, on the basis that SDDs may be beneficial and cost-effective.

  9. Designing Flat Mail --Contents Publication 63, May 1995

    E-Print Network [OSTI]

    Shapiro, Benjamin

    Designing Flat Mail -- Contents Publication 63, May 1995 CONTENTS 1. OVERVIEW 2. UNDERSTANDING FLAT ­ POSTAL BUSINESS CENTERS #12;Publication 63, Designing Flat Mail (May 1995) Contents 1-- Overview

  10. Web Content Analysis and Inventories: Template and FY 2014 Inventory...

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

    Content Analysis and Inventories: Template and FY 2014 Inventory Web Content Analysis and Inventories: Template and FY 2014 Inventory A content inventory and analysis will help...

  11. INSTRUMENTATION OF VIDEO GAME SOFTWARE TO SUPPORT AUTOMATED CONTENT ANALYSES

    E-Print Network [OSTI]

    Katchabaw, Michael James

    INSTRUMENTATION OF VIDEO GAME SOFTWARE TO SUPPORT AUTOMATED CONTENT ANALYSES T. Bullen and M, automated content analysis, software instrumentation, Unreal Engine. ABSTRACT Content analysis of video content analyses for video games through the use of software instrumentation. By properly instrumenting

  12. STRATEGIC RESEARCH PLAN TABLE OF CONTENTS

    E-Print Network [OSTI]

    Kavanagh, Karen L.

    SFU STRATEGIC RESEARCH PLAN 2010-2015 #12;TABLE OF CONTENTS Introduction........................................................................................ 2 Major Objectives of the Strategic Research Plan (SRP.................................................................................................27 Impact of the Strategic Research Plan

  13. GIS DEVELOPMENT GUIDE Table of Contents

    E-Print Network [OSTI]

    Ghelli, Giorgio

    GIS DEVELOPMENT GUIDE Volume II Table of Contents SURVEY OF AVAILABLE DATA Introduction ...................................................................................13 EVALUATING GIS HARDWARE AND SOFTWARE Introduction ...................................................................................14 Sources of Information About GIS......................................................14 GIS

  14. Standard Format and Content for Emergency Plans

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1997-08-21

    This volume addresses recommended emergency plan format and content for Operational Emergency Base Programs and Operational Emergency Hazardous Material Programs. Canceled by DOE G 151.1-3.

  15. Energy.gov Content Management System Webforms

    Office of Energy Efficiency and Renewable Energy (EERE)

    For Office of Energy Efficiency and Renewable Energy (EERE) websites, Energy.gov's content management system (CMS) has the ability to create webforms.

  16. 2011 Annual Report Table of Contents

    E-Print Network [OSTI]

    ) ...................12 Smart Grid Cyber Security.....................................................13 ICT Supply ChainComputer Security Division 2011 Annual Report #12;Table of Contents Welcome ................................................................. 1 Division Organization .................................................2 The Computer Security

  17. Catalog of Studies Table of Contents

    E-Print Network [OSTI]

    Capogna, Luca

    2014-15 GRADUATE Catalog of Studies TM #12;Table of Contents Welcome to the University of Arkansas ............................. 26 Arkansas Water Resources Center ................................................ 26 Bessie Boehm

  18. Catalog of Studies Table of Contents

    E-Print Network [OSTI]

    Capogna, Luca

    2015-16 GRADUATE Catalog of Studies TM #12;Table of Contents Welcome to the University of Arkansas ............................. 26 Arkansas Water Resources Center ................................................ 26 Bessie Boehm

  19. Training Program Content, 4/10/95

    Office of Energy Efficiency and Renewable Energy (EERE)

    The objective of this surveillance is to evaluate the effectiveness of the contractor's program for establishing the content of training programs.  The process to be evaluated includes (1)...

  20. Review: Prof Slipchenko's class, Fall 2013 Contents

    E-Print Network [OSTI]

    2013-10-10

    REVIEW. Yingwei Wang. October 10, 2013. Review: Prof Slipchenko's class, Fall 2013. Contents. 1 Hartree energy. 2. 2 Many-body system. 2.

  1. From Image Analysis to Content Extraction: Are We There Yet?

    E-Print Network [OSTI]

    Chen, Tsuhan

    From Image Analysis to Content Extraction: Are We There Yet? From Image Analysis to Content~2008 #12;Signal vs. ContentSignal vs. Content #12;Tsuhan Chen [Baker and Kanade] What is "content"?What is "content"? populationworldhistoryhuman36524606030 ××××××>> Number of all possible 16×12 images 81216 2

  2. The Sodium Content of Your Food. 

    E-Print Network [OSTI]

    Anonymous,

    1982-01-01

    ............................ ............................. Pear nectar Pineapple juice .......................... Prune juice .............................. ................ Mineral Water. imported Tea ............................. Hot brewed .............................. Hot instant... .................................... Condiments, fats and oils 2t ........ Sodium Content of Selected Non-prescription Drugs 2t The Sodium Content of Your Food Extension food and nutrition specialists, The Texas A&M University System. Introduction Sodium is a mineral element necessary...

  3. This article was downloaded by:[EBSCOHost EJS Content Distribution] [EBSCOHost EJS Content Distribution

    E-Print Network [OSTI]

    Yuan, May

    This article was downloaded by:[EBSCOHost EJS Content Distribution] [EBSCOHost EJS Content Distribution] On: 24 April 2007 Access Details: [subscription number 768320842] Publisher: Taylor & Francis://www.informaworld.com/smpp/title~content=t713599799 A framework to enhance semantic flexibility for analysis of distributed phenomena J. Mc

  4. Modeling of 1,3-hexadiene, 2,4-hexadiene and 1,4-hexadiene-doped methane flames: Flame modeling, benzene and styrene formation

    SciTech Connect (OSTI)

    Sharma, Sandeep; Harper, Michael R.; Green, William H.

    2010-07-15

    In this work, we have developed a detailed chemical kinetic model and reacting flow simulation for the hexadiene-doped 2-d methane diffusion flames studied experimentally by McEnally and Pfefferle. The GRI-Mech 2.11 methane oxidation and Lawrence Livermore butane oxidation mechanisms were used as the base mechanism to which hexadiene chemistry generated by Reaction Mechanism Generator (RMG) was added. Some important chemically activated pathways leading to aromatic species formation, including the reactions on C{sub 5}H{sub 7}, C{sub 6}H{sub 10}, C{sub 6}H{sub 9}, C{sub 6}H{sub 7}, C{sub 8}H{sub 8} and C{sub 8}H{sub 9} potential energy surfaces, are examined in great detail using quantum chemistry (CBS-QB3) and master equation analysis as implemented in Variflex. An efficient program to solve the doped methane diffusion flame was developed. The solver uses the method of lines to solve the species mass balance equation arising in the diffusion flame. It assumes that the temperature and velocity profiles of the doped flame are the same as those of the undoped flame. The mole fractions of various species as predicted by our model are compared to the experimentally measured mole fractions. The agreement between theory and experiments is quite good for most molecules. The added hexadiene dopants to the flame decompose to produce significant amount of cyclopentadienyl radical, which combines with methyl radical to produce benzene. We also show that styrene is formed primarily by recombination of cyclopentadienyl and propargyl radicals, a pathway which to our knowledge, has not been included in prior flame simulations. (author)

  5. Section 4. Inventory Table of Contents

    E-Print Network [OSTI]

    Section 4. Inventory Table of Contents 4.1 Existing Legal Protections Protections Level Name Clean Water Act Endangered Species Act Migratory Bird Treaty Act National Environmental State Instream Water Rights ­ Oregon Water Resources Department Morrow County Zoning Ordinance ­ Morrow

  6. Volume III, Chapter 4 TABLE OF CONTENTS

    E-Print Network [OSTI]

    Volume III, Chapter 4 Eulachon #12;TABLE OF CONTENTS 4.0 EULACHON (Thaleichthys pacificus..................................................................................................................... 4-4 4.1.5 Movements in Fresh Water ........................................................... 4-8 4.4.1 Water Development

  7. Milk dispenser for variable fat content

    E-Print Network [OSTI]

    Henion, Julie E

    2011-01-01

    This thesis describes the development of a new milk dispenser product that is designed to dispense milk with varying levels of milk fat content. The product contains two tanks of milk, one containing skim and one containing ...

  8. Hierarchical Classification Web Content Susan Dumais

    E-Print Network [OSTI]

    Chen, Hao

    organizations. Since th century, librarians classification systems Dewey and Library Congress subject headings classification methods to supplement human effort in creating structured knowledge hierarchies. A wide rangeHierarchical Classification Web Content Susan Dumais Microsoft Research One Microsoft Way Redmond

  9. TABLE OF CONTENTS Hand and Power Tools

    E-Print Network [OSTI]

    US Army Corps of Engineers

    EM 385-1-1 30 Nov 14 13-i Section 13 TABLE OF CONTENTS Hand and Power Tools Section: Page 13.A-4 13.D Pneumatic Power Tools ................................................................................. 13-5 13.E Explosive-Actuated Tools

  10. Content modeling for social media text

    E-Print Network [OSTI]

    Sauper, Christina (Christina Joan)

    2012-01-01

    This thesis focuses on machine learning methods for extracting information from user-generated content. Instances of this data such as product and restaurant reviews have become increasingly valuable and influential in ...

  11. Laboratory Safety Manual Table of Contents

    E-Print Network [OSTI]

    Natelson, Douglas

    Laboratory Safety Manual Table of Contents I. Emergency Procedures a. Laboratory Contact Information b. Location of Laboratory Emergency Equipment c. Laboratory Hazard and Evacuation Maps d. University Emergency Procedures II. University Policies and Procedures a. Rice University Laboratory Safety

  12. Stomach contents ofjuvenile cobia, Rachycentron canadum,

    E-Print Network [OSTI]

    374 Stomach contents ofjuvenile cobia, Rachycentron canadum, from the northern Gulf of Mexico James from the northern Gulf of Mexico. Methods The cobia, Rachycentron canadum, is a monotypic member ofthe Mexico (Migdalski and Fichter, 1983), ranging from Key

  13. BSc (Hons) Building Surveying Course content

    E-Print Network [OSTI]

    Evans, Paul

    BSc (Hons) Building Surveying Course content Year One Year One modules Professional, Academic and openings o Upper floor construction o Internal walls and partitions o Roofs, roof coverings and rain water

  14. Integrity and access control in untrusted content distribution networks

    E-Print Network [OSTI]

    Fu, Kevin E. (Kevin Edward), 1976-

    2005-01-01

    A content distribution network (CDN) makes a publisher's content highly available to readers through replication on remote computers. Content stored on untrusted servers is susceptible to attack, but a reader should have ...

  15. Method of determining a content of a nuclear waste container

    DOE Patents [OSTI]

    Bernardi, Richard T. (Prospect Heights, IL); Entwistle, David (Buffalo Grove, IL)

    2003-04-22

    A method and apparatus are provided for identifying contents of a nuclear waste container. The method includes the steps of forming an image of the contents of the container using digital radiography, visually comparing contents of the image with expected contents of the container and performing computer tomography on the container when the visual inspection reveals an inconsistency between the contents of the image and the expected contents of the container.

  16. Educating Consumers: New Content on Diesel Vehicles, Diesel Exhaust...

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

    Educating Consumers: New Content on Diesel Vehicles, Diesel Exhaust Fluid, and Selective Catalytic Reduction Technologies on the AFDC Educating Consumers: New Content on Diesel...

  17. RH-TRU Waste Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions

    2007-07-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR limits based on a 10-day shipping period (rather than the standard 60-day shipping period) may be used as specified in an approved content code. Requests for new or revised content codes may be submitted to the WIPP RH-TRU Payload Engineer for review and approval, provided all RH-TRAMPAC requirements are met.

  18. AVLIS documentation overview and tables of contents

    SciTech Connect (OSTI)

    Not Available

    1984-11-15

    Three documents constitute the executive summary series in Data Package III: this document (Documentation Overview and Tables of Contents (E001)) plus the AVLIS Production Plant Executive Summary (E010) and the AVLIS Production Plant Overall Design Report (E020). They provide progressively greater detail on the key information and conclusions contained within the data package. The Executive Summary and Overall Design Report present summaries of each Data Package III document. They are intended to provide a global overview of AVLIS Production Plant deployment including program planning, project management, schedules, engineering design, production, operations, capital cost, and operating cost. The purpose of Overview and Tables of Contents is threefold: to briefly review AVLIS goals for Data Package III documentation, to present an overview of the contents of the data package, and to provide a useful guide to information contained in the numerous documents comprising the package.

  19. HELSINKI UNIVERSITY OF TECHNOLOGY ENE-47.153 Course contentCourse content

    E-Print Network [OSTI]

    Zevenhoven, Ron

    - firedPulverised coal- fired power plantpower plant #12;HELSINKI UNIVERSITY OF TECHNOLOGY ENE-47.153 Pulverised coal combustion and gas clean-upPulverised coal combustion and gas clean-up #12;HELSINKIHELSINKI UNIVERSITY OF TECHNOLOGY ENE-47.153 ·· Course contentCourse content ·· Flue gases and fuel

  20. Local content of bipartite qubit correlations

    SciTech Connect (OSTI)

    Branciard, Cyril; Gisin, Nicolas [Group of Applied Physics, University of Geneva, 1211 Geneva (Switzerland); Scarani, Valerio [Centre for Quantum Technologies and Department of Physics, National University of Singapore, 117543 Singapore (Singapore)

    2010-02-15

    One of the last open problems concerning two qubits in a pure state is to find the exact local content of their correlation, in the sense of Elitzur, Popescu, and Rohrlich (EPR2) [A. C. Elitzur, S. Popescu, and D. Rohrlich, Phys. Lett. A162, 25 (1992)]. We propose an EPR2 decomposition that allows us to prove, for a wide range of states |{psi}({theta})>=cos{theta}|00>+sin{theta}|11>, that their local content is p{sub L}({theta})=cos2{theta}. We also share reflections on how to possibly extend this result to all two-qubit pure states.

  1. Remote-Handled Transuranic Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions

    2006-12-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR limits based on a 10-day shipping period (rather than the standard 60-day shipping period) may be used as specified in an approved content code.

  2. CH-TRU Waste Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2008-01-16

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  3. PHOSPHORUS CONTENT OF WATERS ALONG THE WEST COAST OF FLORIDA

    E-Print Network [OSTI]

    PHOSPHORUS CONTENT OF WATERS ALONG THE WEST COAST OF FLORIDA Marine Biological Laboratory WOODS PHOSPHORUS CONTENT OF WATERS ALONG THF WEST COAST OF FLORIDA Herbert Wo Graham, Fishery Biologist, John Mo of T richodesmium floating on the surface over water of very low phosphorus content. #12;CONTENTS Page Methods

  4. FUNDAMENTALSTUDY FOR IMPROVEMENT OF ESTIMATION ACCURACY CHLORIDE CONTENT USING

    E-Print Network [OSTI]

    Boyer, Edmond

    by the electromagnetic wave radar that chloride contents and water contents, and temperature affected the electricalFUNDAMENTALSTUDY FOR IMPROVEMENT OF ESTIMATION ACCURACY CHLORIDE CONTENT USING ELECTROMAGNETIC, Tokyo, Japan mami.uchida.4k@stu.hosei.ac.jp ABSTRACT Chloride contents estimation using electromagnetic

  5. Acclimatizing Taxonomic Semantics for Hierarchical Content Classification

    E-Print Network [OSTI]

    Liu, Huan

    Acclimatizing Taxonomic Semantics for Hierarchical Content Classification Lei Tang Dept. of Comp in con- tent classification. However, we observe through empirical study that the performance semantics-based hierarchy does not work well in con- tent classification, and how it could be improved

  6. Volume III, Chapter 7 TABLE OF CONTENTS

    E-Print Network [OSTI]

    Volume III, Chapter 7 Walleye #12;TABLE OF CONTENTS 7.0 Walleye (Stizostedium vitreum................................................................................................... 7-7 7.4.3 Water Development only in fresh water, as illustrated by the map in Figure 7-1 (Scott and Crossman 1998).Walleye also

  7. TABLE OF CONTENTS Introduction INTRO -1

    E-Print Network [OSTI]

    Minnesota, University of

    Sheet IV - 31 #12;TABLE OF CONTENTS Laboratory V: Magnetic Fields and Forces V - 1 Problem #1: Permanent of Permanent Magnets V - 8 Problem #4: Measuring the Magnetic Field of One Coil V - 11 Problem #5: Determining Difference VI - 9 Problem #5: The Generator VI - 12 Problem #6: Time-Varying Magnetic Fields VI - 15 Check

  8. Table of Contents Dean Search 1

    E-Print Network [OSTI]

    Chapman, Michael S.

    to the January Robert G. Gootee/ODS Health Endowed Lectureship in Leadership and Professionalism. The speaker-year dental student Shannon Woods after the Robert G. Gootee/ODS Health Endowed Lectureship in LeadershipTable of Contents Gootee 1 Dean Search 1 Historical Feature 2 Patient Visits Rise 4 Dentistry One

  9. TABLE OF CONTENTS Welding and Cutting

    E-Print Network [OSTI]

    US Army Corps of Engineers

    EM 385-1-1 30 Nov 14 10-i Section 10 TABLE OF CONTENTS Welding and Cutting Section: Page 10.A ............................................................................................... 10-5 10.E Oxyfuel Gas Welding and Cutting .................................................................. 10-7 10.F Arc Welding and Cutting

  10. Hierarchical Classification of Web Content Susan Dumais

    E-Print Network [OSTI]

    Fan, Jianping

    classification methods to supplement human effort in creating structured knowledge hierarchies. A wide rangeHierarchical Classification of Web Content Susan Dumais Microsoft Research One Microsoft Way Redmond, WA 99802 USA sdumais@microsoft.com Hao Chen Computer Science Division University of California

  11. The Technical Specification for the Security Content

    E-Print Network [OSTI]

    .S. economy and public welfare by providing technical leadership for the nation`s measurement and standards include the development of technical, physical, administrative, and management standards and guidelinesThe Technical Specification for the Security Content Automation Protocol (SCAP): SCAP Version 1

  12. WWW-2005 Tutorial Web Content Mining

    E-Print Network [OSTI]

    Hu, Wen-Chen

    of surface Web and deep Web. Surface Web: pages that can be browsed using a browser. Deep Web: databasesWWW-2005 Tutorial Web Content Mining Bing Liu Department of Computer Science University of Illinois at Chicago (UIC) liub@cs.uic.edu http://www.cs.uic.edu/~liub The 14th International World Wide Web Conference

  13. OSGeo Journal Volume 8 Volume 8 Contents

    E-Print Network [OSTI]

    Michalak, Anna M.

    #12;#12;OSGeo Journal Volume 8 Volume 8 Contents Editorial 2 From the Editor From the Editor OSGeo has just past its 5th birthday, along with this 8th volume of the OSGeo Journal- nificantly, several top papers from the FOSS4G 2009 con- ference event held in Sydney, Australia. The Journal

  14. CONTROL OF HAZARDOUS ENERGY Table Of Contents

    E-Print Network [OSTI]

    US Army Corps of Engineers

    EM 385-1-1 XX Sep 13 i Section 12 CONTROL OF HAZARDOUS ENERGY Table Of Contents Section: Page 12.A General.................. .............................................. ... .12-1 12.B Hazardous Energy.......................................................12-6 #12;EM 385-1-1 XX Sep 13 12-1 SECTION 12 CONTROL OF HAZARDOUS ENERGY 12.A GENERAL 12.A.01 When

  15. Table of Contents Division Organization 2

    E-Print Network [OSTI]

    Security and Forensics 33 NIST Cloud Computing Project 34 Policy Machine 35 Security for Grid#12;2002 Table of Contents Welcome 1 Division Organization 2 The Computer Security Division Implements the 3 Federal Information Security Management Act of Security Management and Assurance Group 4

  16. Music Retrieval2 Content Based Music Retrieval

    E-Print Network [OSTI]

    Veltkamp, Remco

    Music Retrieval2 Content Based Music Retrieval Remco C. Veltkamp, Frans Wiering, Rainer Typke Department of Information and Computing Sciences, Utrecht University, Netherlands Two main groups of Music audio data and systems for searching notated music. There are also hybrid systems that first transcribe

  17. USING ACTIVE CONTENT AND MOBILE CODE AND

    E-Print Network [OSTI]

    convenience to the users who download files and electronic documents from the Internet. The Web pages of electronic documents with active content are Web pages with digitally encoded multimedia information the Internet. The Web pages that they retrieve are used as electronic counterparts to paper documents. However

  18. A Content Dissemination Framework for Vehicular Networking

    E-Print Network [OSTI]

    Mascolo, Cecilia

    mobile networks in which vehicles are equipped with radio interfaces and are, therefore, able to communicate with fixed infrastructure (if available) or other vehicles. Content dissemination has a potential- based that is aiming to proactively deliver information to a group of vehicles based on their interests

  19. TABLE OF CONTENTS Tree Maintenance and Removal

    E-Print Network [OSTI]

    US Army Corps of Engineers

    protection should be worn for all tree maintenance and removal operations. b. Training shall be providedEM 385-1-1 30 Nov 14 31-i Section 31 TABLE OF CONTENTS Tree Maintenance and Removal Section: Page ....................................................................... 31-10 31.E Other Operations and Equipment

  20. Table of Contents 3 Officers and Administration

    E-Print Network [OSTI]

    He, Chuan

    #12;Table of Contents 3 Officers and Administration 7 The Field and the School 15 Educational Agencies 176 SSA Calendar 178 Index #12;School of Social Service Administration 3 Officers and Administration Officers of the University Andrew M. Alper, Chairman of the Board of Trustees Robert J. Zimmer

  1. EMERGENCY RESPONSE PROCEDURES Table of Contents

    E-Print Network [OSTI]

    EMERGENCY RESPONSE PROCEDURES Table of Contents Section 1 - Introduction Section 2 - The Emergency Response Team (ERT) Section 3 - Purpose of the Emergency Response Plan (ERP) Section 4 - The Incident Setup Section 7 - Emergency Response Critique Section 8 - Coordination with Other Agencies (Large

  2. HOUSING DEPARTMENT MANUAL Table of Contents

    E-Print Network [OSTI]

    HOUSING DEPARTMENT MANUAL Table of Contents Section 1 ­ Introduction Section 2 ­ Mission Statement Section 3 ­ Vision Section 4 ­ The Housing Department Location Section 5 ­ The Housing Department Team@aub.edu.lb. Last updated on: May 8, 2014 #12;Housing Department Manual Page 2 Section 1 - Introduction The Housing

  3. Atlas Finding Aid Contents/Index

    E-Print Network [OSTI]

    Ward, Karen

    Atlas Finding Aid Contents/Index A (1) City & State Atlas A (2) Astronomy Atlas A (3) U.S. Atlas A (4) Water Atlas A (5) South America & Central America A (6) Africa, Asia, &, Antarctica A (7) Mexico) SAN ANTONIO QUICK FINDER MAPS F 1373 .B46 F4 1990 33. A (1) SURFACE WATER RESOURCES OF TEXAS MAPS G

  4. Heat Content Changes in the Pacific Ocean

    E-Print Network [OSTI]

    Frandsen, Jannette B.

    Heat Content Changes in the Pacific Ocean The Acoustic Thermometry of Ocean Cli- mate (ATOC assimilating ocean observations and changes expected from surface heat fluxes as measured by the daily National are a result of advection of heat by ocean currents. We calculate that the most likely cause of the discrepancy

  5. Table of Contents White Coat 1

    E-Print Network [OSTI]

    Chapman, Michael S.

    Table of Contents White Coat 1 Staff Profiles 2/3/4 Recent Photos 5 New SOD'ers 6 State of School 7 on page six) Dental Bites October 2014 Class of 2017 Receives White Coats The Class of 2017 was recognized of patients. Seventy-five second-year dental students received their personalized white lab coats in a formal

  6. Were Moving to Phoenix Core Content

    E-Print Network [OSTI]

    Kessler, Bruce

    WeÕre Moving to Phoenix Core Content 2.2 Life Science Diversity and Adaptations of Organisms good friend just told you that his family is moving to Phoenix, Arizona from Kentucky. Your friend. You need to find out if the same is true of Phoenix, Arizona. Preassessment 1. What kinds of plant

  7. AWtemplate Examples, 1 Content Conversion and

    E-Print Network [OSTI]

    Zdun, Uwe

    place, interactive, Web-based applications represent their services using HTML pages. An HTTP server transfers HTML pages with the HTTP protocol. A Web user agent, such as a browser, communicates with a Web to be decorated with HTML markup. On the first glance, content creation on the Web seems to be a simple effort

  8. Is It Homogeneous or Heterogeneous Catalysis Derived from [RhCp*Cl2]2? In Operando-XAFS, Kinetic and Crucial Kinetic Poisoning Evidence for Subnanometer Rh4 Cluster-Based Benzene Hydrogenation Catalysis

    SciTech Connect (OSTI)

    Bayram, Ercan; Linehan, John C.; Fulton, John L.; Roberts, John A.; Szymczak, Nathaniel; Smurthwaite, Tricia D.; Ozkar, Saim; Balasubramanian, Mahalingam; Finke, Richard G.

    2011-11-23

    Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl2]2 (Cp* = [{eta}5-C5(CH3)5]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based 'homogeneous' from polymetallic, 'heterogeneous' catalysis. The reason, this study will show, is the previous failure to use the proper combination of (i) operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, plus then and crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being a 'wholly kinetic phenomenon' as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in this case subnanometer Rh4 cluster-based catalysis from larger, polymetallic Rh(0)n nanoparticle catalysis, at least under favorable conditions. The combined operando-XAFS (X-ray absorption fine structure) spectroscopy and kinetic evidences provide a compelling case for Rh4-based, with average stoichiometry 'Rh4Cp*2.4Cl4Hc', benzene hydrogenation catalysis in 2-propanol with added Et3N and at 100 C and 50 atm initial H2 pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)n had formed nanoparticles, then those Rh(0)n nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)n nanoparticles as a model system). The results 'especially the poisoning methodology developed and employed' are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic reactions. The results are also of fundamental interest in that they add to a growing body of evidence indicating that certain, appropriately ligated, coordinatively unsaturated, subnanometer M4 transition-metal clusters can be relatively robust catalysts. Also demonstrated herein is that Rh4 clusters are poisoned by Hg(0), demonstrating for the first time that the classic Hg(0) poisoning test of 'homogeneous' vs 'heterogeneous'catalysts cannot distinguish Rh4-based subnanometer catalysts from Rh(0)n nanoparticle catalysts, at least for the present examples of these two specific, Rh-based catalysts.

  9. The effect of initial gas content and distribution on the residual gas content of cores after waterflooding 

    E-Print Network [OSTI]

    Elliott, James Kelly

    1953-01-01

    THE EFFECT OF INITIAL GAS CONTENT AND DISTRIBUTION ON THE RESIDUAL GAS CONTENT OF CORES AFTER WATERF LOODING A Thesis By JAMES KELLY ELLIOTT Approved as to style and content by: hairman of Committ e THE EFFECT OF INITIAL GAS CONTENT... AND DISTRIBUTION ON THE RESIDUAL GAS CONTENT OF CORES AFTER WATERFLOODING By JAMES KELLY ELLIOTT A Thesis Submitted to the Graduate School of the Agricultural and Mechanical College of Texas in partial fulfillment of the requirements for the degree...

  10. Effect of homogenization pressure, lipid content, and emulsifier content on the rheological properties of yogurt 

    E-Print Network [OSTI]

    Jaar Sansur, Patricia Mary

    1998-01-01

    The interaction of high pressure homogenization lipid hics. content, and surfactant on the rheological properties of yogurt were evaluated. NFDM, cream, and a nontoxic emulsifier (Tween 20) were combined to obtain samples with of 0% and 2% fat...

  11. Determining the Gluonic Content of Isoscalar Mesons

    E-Print Network [OSTI]

    Glennys R. Farrar

    1996-12-13

    The gluonic widths of four leading glueball candidates are determined from their production in radiative quarkonium decays, allowing quantitative estimation of their glue content. Lattice predictions for the scalar and tensor channels seem to be in reasonable agareement with present data (allowing for mixing with $q \\bar{q}$ states). However there is a glueball-like-state in the pseudoscalar spectrum whose mass is considerably lower than expected from lattice estimates.

  12. Table of Contents Our Season Page 3

    E-Print Network [OSTI]

    Massachusetts at Amherst, University of

    1 #12;2 Table of Contents 2011-2012 Our Season Page 3 People Page 8 Outreach Page 11 Curricular-Curtain 546 $3,631.16 Hell In High Water-Rand 1252 $7,102.47 Solstice-Curtain 506 $2,583.42 Urinetown - Rand-stage season this spring. Hell in High Water by Marcus Gardley The Rand Theater Nov. 10, 11, 12, 16, 17, 18, 19

  13. BETO Quiz - Interactive Content | Department of Energy

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE: Alternative Fuels DataEnergy Webinar:I DueBETO Quiz - Interactive Content BETO Quiz -

  14. Method of uranium reclamation from aqueous systems by reactive ion exchange. [US DOE patent application; anion exchange resin of copolymerized divinyl-benzene and styrene having quarternary ammonium groups and bicarbonate ligands

    DOE Patents [OSTI]

    Maya, L.

    1981-11-05

    A reactive ion exchange method for separation and recovery of values of uranium, neptunium, plutonium, or americium from substantially neutral aqueous systems of said metals comprises contacting said system with an effective amount of a basic anion exchange resin of copolymerized divinyl-benzene and styrene having quarternary ammonium groups and bicarbonate ligands to achieve nearly 100% sorption of said actinyl ion onto said resin and an aqueous system practically free of said actinyl ions. The method is operational over an extensive range of concentrations from about 10/sup -6/ M to 1.0 M actinyl ion and a pH range of about 4 to 7. The method has particulr application to treatment of waste streams from Purex-type nuclear fuel reprocessing facilities and hydrometallurgical processes involving U, Np, P, or Am.

  15. Microsoft Word - Permit Table of Contents 2-2014 (2).docx

    Office of Environmental Management (EM)

    Table of Contents February 2014 WIPP Permit - Table of Contents PART 1 - GENERAL PERMIT CONDITIONS ... 1...

  16. Original article Biomass, litterfall and nutrient content in

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Original article Biomass, litterfall and nutrient content in Castanea sativa coppice stands November 1995) Summary - Aboveground biomass and nutrient content, litterfall and nutrient return) and Catania (Italy). Best regression equations for the aboveground biomass were obtained by applying the allo

  17. Table Contents Page i 2013 Nonresidential Compliance Manual January 2014

    E-Print Network [OSTI]

    Table Contents Page i 2013 Nonresidential Compliance Manual January 2014 Table of Contents........................................................................5 Table F-1 Small Water Heater Test Methods ..................................................................................6 Table F-2 Large Water Heater Test Methods

  18. THE STELLAR CONTENT OF OBSCURED GALACTIC GIANT H II REGIONS....

    Office of Scientific and Technical Information (OSTI)

    Journal Article: THE STELLAR CONTENT OF OBSCURED GALACTIC GIANT H II REGIONS. VII. W3 Citation Details In-Document Search Title: THE STELLAR CONTENT OF OBSCURED GALACTIC GIANT H II...

  19. Branch content of metallocene polyethylene Ramnath Ramachandran, Gregory Beaucage*

    E-Print Network [OSTI]

    Beaucage, Gregory

    Branch content of metallocene polyethylene Ramnath Ramachandran, Gregory Beaucage* and Amit catalyzed polyethylene (PE). A novel scaling approach is applied to determine the mole fraction branch solutions of metallocene polyethylene samples, to quantify the LCB content in polymers previously studied

  20. Determination of Plutonium Content in Spent Fuel with Nondestructive Assay

    E-Print Network [OSTI]

    Tobin, S. J.

    2010-01-01

    LBNL- Determination of Plutonium Content in Spent Fuel withSwinhoe. “Determination of Plutonium Content in Spent FuelS. Tobin, “Measurement of Plutonium in Spent Nuclear Fuel by

  1. Exploiting User Generated Content for Mountain Peak Detection

    E-Print Network [OSTI]

    Tagliasacchi, Marco

    Exploiting User Generated Content for Mountain Peak Detection Roman Fedorov Politecnico di Milano.g. snow water availability maps based on mountain peaks states extracted from photographs hosting services). User Generated Content(UGC); collective intelligence; passive crowdsourcing; environmental models

  2. Adaptive Personalization for Mobile Content Delivery Daniel Billsus

    E-Print Network [OSTI]

    Pazzani, Michael J.

    . Downloaded content can then be browsed at any time during the day without any additional wireless charges

  3. Web Content Analysis and Inventories: Template and FY 2014 Inventory

    Broader source: Energy.gov [DOE]

    A content inventory and analysis will help identify content that needs to be updated, edited, added, or removed for maintenance. They're also recommended prior to starting a website redesign. This content template and sample inventory were created in Excel. The sample lists URLs, page names, navigation, navigation hierarchy, and section placement for each page on the website. It also includes a notes field, which can be used for a Web content analysis.

  4. TABLE OF CONTENTS SECTION A: PREINTERVIEW OBSERVATION

    U.S. Energy Information Administration (EIA) 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 PageMonthly","10/2015"4,"Ames5 Tables July 1996 Energy Information Administration Office of Coal, Nuclear,DecadeYearbyWithdrawalsHome Pageper ThousandTABLE OF CONTENTS

  5. DERIVING PROGNOSTIC EQUATIONS FOR CLOUD FRACTION AND LIQUID WATER CONTENT

    E-Print Network [OSTI]

    DERIVING PROGNOSTIC EQUATIONS FOR CLOUD FRACTION AND LIQUID WATER CONTENT Vincent E. Larson1 1 that accounts for how liquid water varies with both total water content and temperature. The variable s has- ter content, ql , and cloud fraction, C. This provides in- formation about partial cloudiness. Tiedtke

  6. NEAR SURFACE WATER CONTENT ESTIMATION USING GPR DATA: INVESTIGATIONS WITHIN

    E-Print Network [OSTI]

    Rubin, Yoram

    NEAR SURFACE WATER CONTENT ESTIMATION USING GPR DATA: INVESTIGATIONS WITHIN CALIFORNIA VINEYARDS S (sshubbard@lbl.gov) Detailed estimates of water content are necessary for variety of hydrogeological inves to obtain sufficient information about the spatial variation of water content within the root zone using

  7. VARIATIONS IN THE DISSOLVED OXYGEN CONTENT OF INTRAGRAVEL WATER IN

    E-Print Network [OSTI]

    ^402: VARIATIONS IN THE DISSOLVED OXYGEN CONTENT OF INTRAGRAVEL WATER IN FOUR SPAWNING STREAMS IN THE DISSOLVED OXYGEN CONTENT OF INTRAGRAVEL WATER IN FOUR SPAWNING STREAMS OF SOUTHEASTERN ALASKA by William J Introduction 1 Sampling intragravel water for dissolved oxygen content 2 Obtaining water samples from

  8. Aircraft Measurements of Cloud Liquid Water Content using the Forward

    E-Print Network [OSTI]

    Delene, David J.

    Aircraft Measurements of Cloud Liquid Water Content using the Forward Scattering Spectrometer Probe Water Content? Basic Cloud Parameter (MPACE) Icing Studies (WISP04, Sikorsky) Comparison with Remote Sensing Measurements (THORpex, IOP1) #12;Liquid Water Content Calculation The amount of liquid water

  9. Dependence of seismoelectric amplitudes on water content Matthias Strahser

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 Dependence of seismoelectric amplitudes on water content Matthias Strahser Institut de Physique of seismoelectric amplitudes on water content Matthias Strahser, Institut f¨ur Geowissenschaften, Abteilung of electrical properties to water content and permeability and the high spatial resolution of seismic surveys

  10. Classifying Web content for a corporate digital library Ian Thurlow

    E-Print Network [OSTI]

    Haddadi, Hamed

    Classifying Web content for a corporate digital library Ian Thurlow BT Abstract: The integration of relevant Web content into corporate digital libraries is expected to be of significant benefit when tools. The integration of Web content into a digital library, however, raises some concerns with regard

  11. Hackathon Project (HC-04): Ontology Summit 2013 Content Hack

    E-Print Network [OSTI]

    Baclawski, Kenneth B.

    Hackathon Project (HC-04): Ontology Summit 2013 Content Hack Leveraging Semantics on OntologPSMW Ken Baclawski Marcela Vegetti (co-champions) #12;Ontology Summit 2013 Content Hack 2 Background;Ontology Summit 2013 Content Hack 3 Intersection Common basis for the projects is the Ontology Summit

  12. Fast Browsing of Archived Web Contents Sangchul Song

    E-Print Network [OSTI]

    JaJa, Joseph F.

    and deep contents, web contents involve a wide variety of objects such as html pages, documents, multimediaFast Browsing of Archived Web Contents Sangchul Song Department of Electrical and Computer The web is becoming the preferred medium for communicating and storing information pertaining to almost

  13. Original article Estimation of leaf water content and specific leaf

    E-Print Network [OSTI]

    Boyer, Edmond

    Original article Estimation of leaf water content and specific leaf weight from reflectance and transmittance spectra measured over the 1 300-2 400-nm domain and the corresponding water content (g.cm-2) for pure water. We then investigated the possibility of estimating leaf water content and specific weight

  14. Privacy in encrypted content distribution using private broadcast encryption

    E-Print Network [OSTI]

    Waters, Brent

    @cs.stanford.edu Dan Boneh dabo@cs.stanford.edu Brent Waters bwaters@cs.stanford.edu Abstract In many contentPrivacy in encrypted content distribution using private broadcast encryption Adam Barth abarth distribution systems it is important to both restrict access of content to au- thorized users and to protect

  15. Near-Optimal Content Replication for Interactive Multiview Video Streaming

    E-Print Network [OSTI]

    Chan, Shueng-Han Gary

    Near-Optimal Content Replication for Interactive Multiview Video Streaming Huan Huang S.-H. Gary Chan Dept. of Comp. Sci. & Eng. The Hong Kong University of Science and Technology Clear Water Bay services, a content provider often deploys distributed content servers with heterogeneous storage

  16. Original article Tau-fluvalinate content of Apistan® strips

    E-Print Network [OSTI]

    Boyer, Edmond

    Original article Tau-fluvalinate content of Apistan® strips Mark F. Feldlaufer USDA (Received1 July 1998; accepted12 November 1998) Abstract - The tau-fluvalinate content of13 lot numbers in certain areas of the US is due to the tau-fluvalinate content of Apistan® strips. © Inra

  17. De-coupling seasonal changes in water content and dry matter to predict live conifer foliar moisture content

    E-Print Network [OSTI]

    De-coupling seasonal changes in water content and dry matter to predict live conifer foliar growing seasons and quantified their LFMC, relative water content (RWC) and dry matter chemistry. LFMC a stronger control on seasonal LFMC dynamics than actual changes in water content, and they challenge

  18. Determining the Gluonic Content of Isoscalar Mesons

    E-Print Network [OSTI]

    Frank E. Close; Glennys R. Farrar; Zhenping Li

    1996-10-08

    We develop tools to determine the gluonic content of a resonance of known mass, width and $J^{PC}$ from its branching fraction in radiative quarkonium decays and production cross section in $\\gamma \\gamma$ collisions. We test the procedures by applying them to known $q\\bar{q}$ mesons, then analyze four leading glueball candidates. We identify inconsistencies in data for $J/\\psi \\to \\gamma f_0(1500)$ and $J/\\psi \\to \\gamma f_J(1710)$ whose resolution can quantify their glueball status.When $\\Gamma(f_0(1500) \\to \\gamma \\gamma )$ and $\\Gamma(f_J(1710) \\to \\gamma \\gamma)$ are known, the $n\\bar{n}, s\\bar{s},gg$ mixing angles can be determined. The enigmatic situation in 1400-1500 MeV region of the isosinglet $0^{-+}$ sector is discussed.

  19. Fragmentation of colliding planetesimals with water content

    E-Print Network [OSTI]

    Maindl, Thomas I; Schäfer, Christoph; Speith, Roland

    2014-01-01

    We investigate the outcome of collisions of Ceres-sized planetesimals composed of a rocky core and a shell of water ice. These collisions are not only relevant for explaining the formation of planetary embryos in early planetary systems, but also provide insight into the formation of asteroid families and possible water transport via colliding small bodies. Earlier studies show characteristic collision velocities exceeding the bodies' mutual escape velocity which - along with the distribution of the impact angles - cover the collision outcome regimes 'partial accretion', 'erosion', and 'hit-and-run' leading to different expected fragmentation scenarios. Existing collision simulations use bodies composed of strengthless material; we study the distribution of fragments and their water contents considering the full elasto-plastic continuum mechanics equations also including brittle failure and fragmentation.

  20. Modeling the strangeness content of hadronic matter

    E-Print Network [OSTI]

    G. Toledo Sanchez; J. Piekarewicz

    2001-09-06

    The strangeness content of hadronic matter is studied in a string-flip model that reproduces various aspects of the QCD-inspired phenomenology, such as quark clustering at low density and color deconfinement at high density, while avoiding long range van der Waals forces. Hadronic matter is modeled in terms of its quark constituents by taking into account its internal flavor (u,d,s) and color (red, blue, green) degrees of freedom. Variational Monte-Carlo simulations in three spatial dimensions are performed for the ground-state energy of the system. The onset of the transition to strange matter is found to be influenced by weak, yet not negligible, clustering correlations. The phase diagram of the system displays an interesting structure containing both continuous and discontinuous phase transitions. Strange matter is found to be absolutely stable in the model.

  1. Ionic content of Antarctic ice samples

    E-Print Network [OSTI]

    Armitage, Kenneth

    1965-01-01

    0 0 0 004 001 0 10 4 0 0 0 40 400 1000 0 0 0 0 0 0 0 ND ND 0 0 0 0 ND ND 2 0 ND 6 0 ND 1 7-15 ND 230 1543 200 ND = Not determined. *B2 *B3 TGI TGM 2 Nov. 61 3 Nov. 61 2 Dec. 61 2 Dec. 61 Content (ppm) 0 0 16 0 0 0 0 0 0 0 50... ND 0 0 38 ND ND ND 0 4 0-4 0 0 0 0 ND ND ND 009 0 0 0 0 ~ 1 0 ND 200 2200 ND WPI 8 Jan. 62 0 0 12 0 ND...

  2. Reducing the moisture content of clean coals

    SciTech Connect (OSTI)

    Kehoe, D. )

    1992-12-01

    Coal moisture content can profoundly effect the cost of burning coal in utility boilers. Because of the large effect of coal moisture, the Empire State Electric Energy Research Corporation (ESEERCO) contracted with the Electric Power Research Institute to investigate advanced coal dewatering methods at its Coal Quality Development Center. This report contains the test result on the high-G solid-bowl centrifuge, the second of four devices to be tested. The high-G solid-bowl centrifuge removes water for coal by spinning the coal/water mixture rapidly in a rotating bowl. This causes the coal to cling to the sides of the bowl where it can be removed, leaving the water behind. Testing was performed at the CQDC to evaluate the effect of four operating variables (G-ratio, feed solids concentration, dry solids feed rate, and differential RPM) on the performance of the high-G solid-bowl centrifuge. Two centrifuges of different bowl diameter were tested to establish the effect of scale-up of centrifuge performance. Testing of the two centrifuges occurred from 1985 through 1987. CQDC engineers performed 32 tests on the smaller of the two centrifuges, and 47 tests on the larger. Equations that predict the performance of the two centrifuges for solids recovery, moisture content of the produced coal, and motor torque were obtained. The equations predict the observed data well. Traditional techniques of establishing the performance of centrifuge of different scale did not work well with the two centrifuges, probably because of the large range of G-ratios used in the testing. Cost of operating a commercial size bank of centrifuges is approximately $1.72 per ton of clean coal. This compares well with thermal drying, which costs $1.82 per ton of clean coal.

  3. Characterization of soil water content variability and soil texture using GPR groundwave techniques

    E-Print Network [OSTI]

    Grote, K.

    2010-01-01

    wave method for soil water content measurement: Hydrologicalfor estimating soil water content during irrigation andvariations of the soil water content in an agro-ecosystem

  4. The use of a permanent magnet for water content measurements of wood chips

    E-Print Network [OSTI]

    2001-01-01

    of a Permanent Magnet for Water Content Measurements of Wooda device that measures the water content of wood chips, pulpsystem. The results of water content measurements in wood

  5. Expanded Content Envelope For The Model 9977 Packaging

    SciTech Connect (OSTI)

    Abramczyk, G. A.; Loftin, B. M.; Nathan, S. J.; Bellamy, J. S.

    2013-07-30

    An Addendum was written to the Model 9977 Safety Analysis Report for Packaging adding a new content consisting of DOE-STD-3013 stabilized plutonium dioxide materials to the authorized Model 9977 contents. The new Plutonium Oxide Content (PuO{sub 2}) Envelope will support the Department of Energy shipment of materials between Los Alamos National Laboratory and Savannah River Site facilities. The new content extended the current content envelope boundaries for radioactive material mass and for decay heat load and required a revision to the 9977 Certificate of Compliance prior to shipment. The Addendum documented how the new contents/configurations do not compromise the safety basis presented in the 9977 SARP Revision 2. The changes from the certified package baseline and the changes to the package required to safely transport this material is discussed.

  6. Content Development Policy: Electrical & Electronic Engineering 1 The University of Manchester Library

    E-Print Network [OSTI]

    Abrahams, I. David

    Content Development Policy: Electrical & Electronic Engineering 1 The University of Manchester Library Content Development Policy Electrical & Electronic Engineering Monday, 30 April 2012 Contents-books).......................................................... 20 #12;2 Content Development Policy: School of Electrical & Electronic Engineering Introduction

  7. Content Development Policy: Chemical Engineering & Analytical Science 1 The University of Manchester Library

    E-Print Network [OSTI]

    Abrahams, I. David

    Content Development Policy: Chemical Engineering & Analytical Science 1 The University of Manchester Library Content Development Policy Chemical Engineering & Analytical Science Monday, 30 April 2012 Contents Content Development Policy Chemical Engineering & Analytical Science

  8. A guide to web content for Heriot-Watt University websites

    E-Print Network [OSTI]

    Howie, Jim

    1 A guide to web content for Heriot-Watt University websites #12;2 Contents A guide to web content..........................................................................................................................3 Why is writing for the web different?..........................................................................................3 Planning your web content

  9. Table of contents 1 What is software architecture? ......................................................................... 1

    E-Print Network [OSTI]

    Dustdar, Schahram

    Table of contents 1 What is software architecture? ......................................................................... 1 1.1 Software architecture as abstraction ............................................................ 2 1.2 Software architecture as blueprint

  10. Adding Links in Energy.gov Content Management System

    Broader source: Energy.gov [DOE]

    For Office of Energy Efficiency and Renewable Energy (EERE) websites, to add a link in the Energy.gov Drupal content management system (CMS), follow these steps.

  11. Domestic Material Content in Molten-Salt Concentrating Solar...

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

    Domestic Material Content in Molten-Salt Concentrating Solar Power Plants Craig Turchi, Parthiv Kurup, Sertac Akar, and Francisco Flores Technical Report NRELTP-5500-64429 August...

  12. Heat content asymptotics with transmittal and transmission boundary conditions

    E-Print Network [OSTI]

    Peter Gilkey; Klaus Kirsten

    2002-06-14

    We study the heat content asymptotics on a Riemannian manifold with smoooth boundary defined by Dirichlet, Neumann, transmittal and transmission boundary conditions.

  13. Recent content in Market Research Reports | OpenEI Community

    Open Energy Info (EERE)

    Recent content in Market Research Reports Home Name Post date sort icon Type Global Energy Efficient IT Equipment Industry 2015 Market Research Report Gosreports 30 Jun 2015 -...

  14. Energy.gov Content Management System Block Types

    Broader source: Energy.gov [DOE]

    For Office of Energy Efficiency and Renewable Energy (EERE) websites, learn about the variety of block types available in the Energy.gov Drupal content management system (CMS).

  15. HORTICULTURAL & FOREST CROPS 2013 Table of Contents 1

    E-Print Network [OSTI]

    Liskiewicz, Maciej

    HORTICULTURAL & FOREST CROPS 2013 Table of Contents 1 1 Regulations and Basic Information Safe Quantities of Water ............................................................................ 1-29 Table 1

  16. CONTENT ADAPTIVE WATERMARKING BASED ON A STOCHASTIC MULTIRESOLUTION IMAGE

    E-Print Network [OSTI]

    Genève, Université de

    CONTENT ADAPTIVE WATERMARKING BASED ON A STOCHASTIC MULTIRESOLUTION IMAGE MODELING Sviatoslav to provide wa­ termark invisibility. Thirdly, a new principle of water­ mark spatial allocation, based

  17. Environmental Health and Safety -Safety Manual Table of Contents

    E-Print Network [OSTI]

    Li, X. Rong

    1 Environmental Health and Safety - Safety Manual Table of Contents I. Assignment of Responsibility Management Program..................................81 XIX. Water Vessel Safety Program

  18. HORTICULTURAL & FOREST CROPS 2014 Table of Contents 1

    E-Print Network [OSTI]

    Liskiewicz, Maciej

    HORTICULTURAL & FOREST CROPS 2014 Table of Contents 1 1 Regulations and Basic Information Safe Quantities of Water ............................................................................ 1-29 Table 1

  19. Energy.gov Data Tables in Content Management System

    Broader source: Energy.gov [DOE]

    For Office of Energy Efficiency and Renewable Energy (EERE) websites, follow these guidelines for creating Section 508-compliant data tables in the Energy.gov content management system.

  20. Determining the gluonic content of isoscalar mesons

    SciTech Connect (OSTI)

    Close, F.E. [Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX (England)] [Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX (England); Farrar, G.R. [Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855 (United States)] [Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855 (United States); Li, Z. [Physics Department, Peking University, Beijing, 100871, Peoples Republic of (China)] [Physics Department, Peking University, Beijing, 100871, Peoples Republic of (China)

    1997-05-01

    We develop tools to determine the gluonic content of a resonance of known mass, width, and J{sup PC} from its branching fraction in radiative quarkonium decays and production cross section in {gamma}{gamma} collisions. We test the procedures by applying them to known q{bar q} mesons, then analyze four leading glueball candidates. We identify inconsistencies in data for J/{psi}{r_arrow}{gamma}f{sub 0}(1500) and J/{psi}{r_arrow}{gamma}f{sub J}(1710) whose resolution can quantify their glueball status. When {Gamma}(f{sub 0}(1500){r_arrow}{gamma}{gamma}) and {Gamma}(f{sub J}(1710){r_arrow}{gamma}{gamma}) are known, the n{bar n},s{bar s},gg mixing angles can be determined. The enigmatic situation in the 1400-1500 MeV region of the isosinglet 0{sup {minus}+} sector is discussed. {copyright} {ital 1997} {ital The American Physical Society}

  1. Bounds On Contention Management Algorithms Johannes Schneider1

    E-Print Network [OSTI]

    Bounds On Contention Management Algorithms Johannes Schneider1 , Roger Wattenhofer1 Computer algorithms for contention management in transactional memory, the deterministic algorithm CommitRounds and the randomized algo- rithm RandomizedRounds. Our randomized algorithm is efficient: in some noto- rious problem

  2. Stomach contents of bottlenose dolphins (Tursiops truncatus) in Scottish waters

    E-Print Network [OSTI]

    Pierce, Graham

    Stomach contents of bottlenose dolphins (Tursiops truncatus) in Scottish waters M.B. Santos*P , G, Stratherrick Road, Inverness, IV24JZ. P E-mail: m.b.santos@abdn.ac.uk Data on stomach contents of ten information exists on the feeding habits of the species in Scottish waters. Cod (Gadus morhua), saithe

  3. Original article Irrigation, faecal water content and development rate

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Original article Irrigation, faecal water content and development rate of free-living stages- ent faecal water contents (FWC) simulating a submersion (7 or 16 h) or an alternance of spraying, T vitrinus in summer, but higher rates were observed in autumn. The action of water had more effect

  4. Table Contents Page i 2013 Nonresidential Compliance Manual June 2014

    E-Print Network [OSTI]

    Table Contents Page i 2013 Nonresidential Compliance Manual June 2014 Table of Contents 13.........................................................7 13.8 NRCA-MCH-09-A: Supply Water Temperature Reset Controls Acceptance ....................7 13: Condenser Water Supply Temperature Reset Controls Acceptance 8 13.17 NRCA-MCH-18-A: Energy Management

  5. Table of Contents Preparing for and Responding to Drought

    E-Print Network [OSTI]

    3 Table of Contents Preparing for and Responding to Drought WHEN EVERY DROP COuNtsProtecting Public, National Oceanic and Atmospheric Agency, and American Water Works Association. 2010. When every drop counts P r o f e s s i o n A l s #12;#12;Table of Contents Acknowledgments

  6. CONTENTS 3 1 Strategy and education policy 5

    E-Print Network [OSTI]

    Paris 7 - Denis Diderot, Université

    Year Courses . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 2.3 Fourth year1 #12;2 #12;CONTENTS 3 Contents 1 Strategy and education policy 5 2 Courses listed per year 8 2.1 Core curriculum: first and second year . . . . . . . . . . . . . . . . . . . . . . . . . 8 2.2 Third

  7. Landscape Automata for Search Based Procedural Content Generation.

    E-Print Network [OSTI]

    Ashlock, Dan

    Landscape Automata for Search Based Procedural Content Generation. Daniel Ashlock and Cameron Mc be used for terrain generation or other procedural content generation. Landscape automata are evolvable idealized landforms and to generate a heightmap with controllable connectivity for agents using the height

  8. Table of Contents i Export Administration Regulations October 1, 2001

    E-Print Network [OSTI]

    Bernstein, Daniel

    Table of Contents i Export Administration Regulations October 1, 2001 Table of Contents Index 730.2 Statutory authority 730.3 Dual-use exports 730.4 Other control agencies and departments 730.5 Coverage of more than exports 730.6 Control purposes 730.7 License requirements and exceptions 730.8 How

  9. The Web Changes Everything: Understanding the Dynamics of Web Content

    E-Print Network [OSTI]

    Murphy, Robert F.

    The Web Changes Everything: Understanding the Dynamics of Web Content Eytan Adar University, USA jelsas@cs.cmu.edu ABSTRACT The Web is a dynamic, ever changing collection of information. This paper explores changes in Web content by analyzing a crawl of 55,000 Web pages, selected to represent

  10. Original article Belowground biomass and nutrient content in a

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    useful when using estimates of the aerial biomass of a stand to calculate the carbon storage content of the belowground compartment. Douglas-fir / root system / C sequestration / nutrient content carbone dans le compartiment souterrain, connaissant la biomasse aérienne d'un peuplement. Pour ce qui

  11. Characterizing Web Spam Using Content and HTTP Session Analysis

    E-Print Network [OSTI]

    Caverlee, James

    ­ a collection of about 350,000 web spam pages. Our content analysis results are consistent with the hypothesis that web spam pages are different from normal web pages, showing far more duplication of physical content analysis may contribute a great deal towards future efforts to automatically distinguish web spam pages

  12. REGIONAL BLACKOUTS: PROTECTION OF BROADCAST CONTENT ON 3G NETWORKS

    E-Print Network [OSTI]

    International Association for Cryptologic Research (IACR)

    REGIONAL BLACKOUTS: PROTECTION OF BROADCAST CONTENT ON 3G NETWORKS Alexander W. Dent, Allan- gional blackouts. Broadcasters are often required to res- trict broadcasts of certain content to specific of reception is outside the blackout region. What is now required is proof that the end user is outside

  13. CONSTRUCTING SECURE CONTENT-DEPENDENT WATERMARKING SCHEME USING HOMOMORPHIC ENCRYPTION

    E-Print Network [OSTI]

    Sun, Qibin

    CONSTRUCTING SECURE CONTENT-DEPENDENT WATERMARKING SCHEME USING HOMOMORPHIC ENCRYPTION Zhi Li.a-star.edu.sg ABSTRACT Content-dependent watermarking (CDWM) has been pro- posed as a solution to overcome the potential and cryptography. 1. INTRODUCTION Consider a simplified model of Spread-Spectrum (SS) water- marking. Let x

  14. Chemical composition, mineral content and cholesterol levels of some regular

    E-Print Network [OSTI]

    Boyer, Edmond

    Note Chemical composition, mineral content and cholesterol levels of some regular and reduced from cow's milk, were analyzed for basic nutrients (water, protein, fat, ash and lactose), cholesterol and selected minerals (Na, Ca, K, Mg, P and Zn). The moisture contents of Labneh (78.6 g·100 g-1 ) and Double

  15. A Stochastic Approach to Content Adaptive Digital Image Watermarking

    E-Print Network [OSTI]

    Genève, Université de

    A Stochastic Approach to Content Adaptive Digital Image Watermarking Sviatoslav Voloshynovskiy y z and strength for the water­ mark embedding stage. We examine two such NVFs, based on either a non of the watermark estimation is equivalent to image denoising and derive content adaptive criteria. Re­ sults show

  16. A Stochastic Approach to Content Adaptive Digital Image Watermarking

    E-Print Network [OSTI]

    Genève, Université de

    A Stochastic Approach to Content Adaptive Digital Image Watermarking Sviatoslav Voloshynovskiyyz function, that allows us to determine the optimal watermark locations and strength for the water- mark to image denoising and derive content adaptive criteria. Re- sults show that watermark visibility

  17. Automated Content Metadata Extraction Services based on MPEG Standards

    E-Print Network [OSTI]

    Greenberg, Albert

    Metadata Extraction 3 flows from producers to consumers via two paths. The first one is focused on specific to infer the perceived value of a piece of content and provide input for content filtering of automated production workflows and service oriented architectures, the stage has been set for rapid

  18. Content-aware Caching and Traffic Management in Content Distribution Networks 

    E-Print Network [OSTI]

    Amble, Meghana Mukund

    2012-02-14

    is Nd. A. Request Arrivals at Front-end Nodes Under the switch abstraction of the CDN, we have request queues of size qcs[k] at source s for content c at (discrete) time k: We denote the vector of all such queues (the system state) by ~Q[k...]: The number of requests that arrive at time k is denoted acs[k]. Arrivals are Bayesian, with nite mean c s and second moment c s: We assume that for any A 0, there exists a A > 0, such that P(acs[k] A) > 1 A 8c; s; k: In other words, the maximum...

  19. Infrared identification of the {sigma}-complex of Cl-C{sub 6}H{sub 6} in the reaction of chlorine atom and benzene in solid para-hydrogen

    SciTech Connect (OSTI)

    Bahou, Mohammed; Witek, Henryk; Lee, Yuan-Pern

    2013-02-21

    The reaction of a chlorine atom with benzene (C{sub 6}H{sub 6}) is important in organic chemistry, especially in site-selective chlorination reactions, but its product has been a subject of debate for five decades. Previous experimental and theoretical studies provide no concrete conclusion on whether the product is a {pi}- or {sigma}-form of the Cl-C{sub 6}H{sub 6} complex. We took advantage of the diminished cage effect of para-hydrogen (p-H{sub 2}) to produce Cl in situ to react with C{sub 6}H{sub 6} (or C{sub 6}D{sub 6}) upon photolysis of a Cl{sub 2}/C{sub 6}H{sub 6} (or C{sub 6}D{sub 6})/p-H{sub 2} matrix at 3.2 K. The infrared spectrum, showing intense lines at 1430.5, 833.6, 719.8, 617.0, and 577.4 cm{sup -1}, and several weaker ones for Cl-C{sub 6}H{sub 6}, and the deuterium shifts of observed new lines unambiguously indicate that the product is a 6-chlorocyclohexadienyl radical, i.e., the {sigma}-complex of Cl-C{sub 6}H{sub 6}. Observation of the {sigma}-complex rather than the {pi}-complex indicates that the {sigma}-complex is more stable in solid p-H{sub 2} at 3.2 K. The spectral information is crucial for further investigations of the Cl + C{sub 6}H{sub 6} reaction either in the gaseous or solution phase.

  20. ADOBE PHOTOSHOP 5.0 Back to Contents

    E-Print Network [OSTI]

    Durand, Frédo

    Tutorial ADOBE PHOTOSHOP 5.0 Back to Contents Working with Selections Learning how to select areas four basic sets of tools--the marquee, lasso, magic wand, and pen tools. In addition, you can use

  1. A Review Of Water Contents Of Nominally Anhydrous Natural Minerals...

    Open Energy Info (EERE)

    A Review Of Water Contents Of Nominally Anhydrous Natural Minerals In The Mantles Of Earth, Mars And The Moon Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  2. 1TABLE OF CONTENTS 2014 ORNL NEUTRON SCIENCES STRATEGIC PLAN

    E-Print Network [OSTI]

    #12;#12;1TABLE OF CONTENTS 2014 ORNL NEUTRON SCIENCES STRATEGIC PLAN Executive Summary Director Facilities Strategic Planning and Research Community Involvement New Opportunities Science Priorities and Upgraded Capabilities Enabling Technologies Sources Executing the Plan Strategic Timeline Appendices

  3. Effects of variable wind stress on ocean heat content

    E-Print Network [OSTI]

    Klima, Kelly

    2008-01-01

    Ocean heat content change (ocean heat uptake) has an important role in variability of the Earth's heat balance. The understanding of which methods and physical processes control ocean heat uptake needs improvement in order ...

  4. TABLE OF CONTENTS INSTRUCTIONS IN CASE OF EMERGENCY......................................................1

    E-Print Network [OSTI]

    Kunst, Ljerka

    OF THE BUILDING. 6. Walk, do not run. Shut all doors behind you and proceed along corridors and down stairwaysTABLE OF CONTENTS INSTRUCTIONS IN CASE OF EMERGENCY AN EMERGENCY EVACUATION.............................................................................27 APPENDIX

  5. Categorizing impacts of implementing Enterprise Content Management Systems

    E-Print Network [OSTI]

    Utrecht, Universiteit

    Electronic Document Management EDMS Electronic Document Management System ERM Electronic Records Management Management (ERM), Web Content Management (WCM), and Workflow Management (WfM) (Päivärinta and Munkvold, 2005

  6. THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY RARAF Table of Contents

    E-Print Network [OSTI]

    THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY 118 RARAF Table of Contents RARAF Professional ANNUAL REPORT 2008 119 The Radiological Research Accelerator Facility AN NIH-SUPPORTED RESOURCE CENTER................................................................................................................................................119 Development of Facilities

  7. THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY RARAF -Table of Contents

    E-Print Network [OSTI]

    THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY 113 RARAF - Table of Contents RARAF Professional · ANNUAL REPORT 2007 114 The Radiological Research Accelerator Facility AN NIH-SUPPORTED RESOURCE CENTER................................................................................................................................................114 Development of Facilities

  8. THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY RARAF -Table of Contents

    E-Print Network [OSTI]

    THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY 117 RARAF - Table of Contents RARAF Professional RESEARCH · ANNUAL REPORT 2010 118 The Radiological Research Accelerator Facility AN NIH-SUPPORTED RESOURCE................................................................................................................................................117 Development of Facilities

  9. THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY RARAF Table of Contents

    E-Print Network [OSTI]

    THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY RARAF Table of Contents RARAF Professional Staff RESEARCH ANNUAL REPORT 2009 The Radiological Research Accelerator Facility AN NIH-SUPPORTED RESOURCE................................................................................................................................................101 Development of Facilities

  10. THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY RARAF -Table of Contents

    E-Print Network [OSTI]

    THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY 75 RARAF - Table of Contents RARAF Professional FOR RADIOLOGICAL RESEARCH · ANNUAL REPORT 2005 76 The Radiological Research Accelerator Facility AN NIH .................................................................................................................................................72 Development of Facilities

  11. THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY RARAF -Table of Contents

    E-Print Network [OSTI]

    THE RADIOLOGICAL RESEARCH ACCELERATOR FACILITY 65 RARAF - Table of Contents RARAF Professional FOR RADIOLOGICAL RESEARCH · ANNUAL REPORT 2006 66 The Radiological Research Accelerator Facility AN NIH..................................................................................................................................................66 Development of facilities

  12. The Effects of The Content Enhancement Model in College Algebra

    E-Print Network [OSTI]

    VanCleave, Janet Milleret

    2010-04-26

    , and Concept Anchoring. The topics used in these routines included function, domain, slope, linear functions, and quadratic functions. The Content Enhancement Organizers included Course, Unit, and Lesson. The organizers were used for an introductory function...

  13. Mercury Contents of Natural Thermal and Mineral Fluids, In- U...

    Open Energy Info (EERE)

    OpenEI Reference LibraryAdd to library Book Section: Mercury Contents of Natural Thermal and Mineral Fluids, In- U.S. Geological Survey Professional Paper 713 Abstract...

  14. UDR Handbook AY 2015-2016 Table of Contents

    E-Print Network [OSTI]

    Snider, Barry B.

    UDR Handbook AY 2015-2016 Table of Contents UDR Program Info Introduction Roles & Responsibilities Mentor Handbook 2010. #12;UDR Program Information Page 2 Back to Top Roles & Responsibilities UDRs

  15. Integrating Web Content Clustering into Web Log Association Rule Mining

    E-Print Network [OSTI]

    Keselj, Vlado

    with the content of Web pages, ­ Web Stucture Mining, concerned with the link structure of the Web, and ­ Web Usage interests. Also, with the development of Web design techniques, more and more CGI programs are used instead

  16. Understanding and Supporting Directed Content Sharing on the Web

    E-Print Network [OSTI]

    Miller, Rob

    2009-10-07

    To find interesting, personally relevant web content, we often rely on friends and colleagues to pass links along as they encounter them. In this paper, we study and augment link-sharing via e-mail, the most popular means ...

  17. Interferometric tomography of fuel cells for monitoring membrane water content

    E-Print Network [OSTI]

    Waller, Laura

    We have developed a system that uses two 1D interferometric phase projections for reconstruction of 2D water content changes over time in situ in a proton exchange membrane (PEM) fuel cell system. By modifying the filtered ...

  18. TABLE OF CONTENTS Underground Construction (Tunnels), Shafts and Caissons

    E-Print Network [OSTI]

    US Army Corps of Engineers

    EM 385-1-1 30 Nov 14 26-i Section 26 TABLE OF CONTENTS Underground Construction (Tunnels), Shafts ......................................................................................................... 26-16 26.F Shafts-1 SECTION 26 Underground Construction (Tunnels), Shafts and Caissons 26. General. This section applies

  19. T-544: Cisco Security Advisory: Cisco Content Services Gateway...

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

    Cisco Content Services Gateway Vulnerabilities PLATFORM: Cisco IOS Software Release 12.4(24)MD1 on the Cisco CSG2 ABSTRACT: Cisco IOS Software Release 12.4(24)MD1 on the Cisco CSG2...

  20. UMIC NEWS 1/10 Table of Contents

    E-Print Network [OSTI]

    Kobbelt, Leif

    UMIC NEWS 1/10 Table of Contents www.umic.rwth-aachen.dewww.umic.rwth-aachen.de U M I Cltra High, along with energy, water and transportation, such that problems like address exhaustion, routing scaling

  1. HOME GROUNDS & ANIMALS 2014 Table of Contents 3

    E-Print Network [OSTI]

    Liskiewicz, Maciej

    HOME GROUNDS & ANIMALS 2014 Table of Contents 3 1 Regulations and Basic Information How to Use of Water ..................................................................... 1-26 Table 1.6 - Equivalent Quantities of Liquid Materials (Emulsifiable Concentrates, etc.) for Various Quantities of Water

  2. Table of Contents Degrees Offered and Associated Departments 334

    E-Print Network [OSTI]

    Varela, Carlos

    Table of Contents Degrees Offered and Associated Departments 334 Overview of Undergraduate Programs Water Institute 409 Inverse Problems at RPI (IPRPI) 410 New York Center for Studies on the Origins

  3. Table of Contents Degrees Offered and Associated Departments 338

    E-Print Network [OSTI]

    Varela, Carlos

    Table of Contents Degrees Offered and Associated Departments 338 Overview of Undergraduate Programs Water Institute 414 Inverse Problems at RPI (IPRPI) 415 New York Center for Studies on the Origins

  4. Modeling of thermally induced vibration of carbon Contents list

    E-Print Network [OSTI]

    Maruyama, Shigeo

    Modeling of thermally induced vibration of carbon nanotubes ( ) #12;#12;Contents list 1 modeling ....................................................................... 6 1.3 Thermal-Mechanical vibration ...................................................................... 12 2.1.1 Cantilevered SWNT

  5. Plants with modified lignin content and methods for production thereof

    SciTech Connect (OSTI)

    Zhao, Qiao; Chen, Fang; Dixon, Richard A.

    2014-08-05

    The invention provides methods for decreasing lignin content and for increasing the level of fermentable carbohydrates in plants by down-regulation of the NST transcription factor. Nucleic acid constructs for down-regulation of NST are described. Transgenic plants are provided that comprise reduced lignin content. Plants described herein may be used, for example, as improved biofuel feedstock and as highly digestible forage crops. Methods for processing plant tissue and for producing ethanol by utilizing such plants are also provided.

  6. The Salt or Sodium Chloride Content of Feeds 

    E-Print Network [OSTI]

    Fraps, G. S. (George Stronach); Lomanitz, S. (Sebastian)

    1920-01-01

    STATION AGRICULTURAL AND MECHANICAL COLLEGE OF TEXAS W. B. BIZZELL, Preeident BULLETIN NO. 271 OCTOBER, 1920 DIVISION OF CHEMISTRY THE SALT OR SODIUM CHLORIDE CONTENT OF FEEDS B. YOUNGBLOOD, DIRECTOK COLLEGE STATION, BRAZOS COUNTT, TEXAS I..... ................... Summary ancl conclusions. Page. l1 [Blank Page in Original Bulletin] BULLETIN XO. 271. OCTOBE- '"On THE SALT OR SODIUM CHLORIDE CONTENT OF FEI The Texas feed law requires the statement of the ingredients of many mixed feeds. Common salt or sodium...

  7. Content Development Policy: Earth, Atmospheric and Environmental Sciences 1 The University of Manchester Library

    E-Print Network [OSTI]

    Abrahams, I. David

    Content Development Policy: Earth, Atmospheric and Environmental Sciences 1 The University of Manchester Library Content Development Policy Earth, Atmospheric and Environmental Sciences Monday, 30 April.................................................................................................55 #12;2 Content Development Policy: Earth, Atmospheric and Environmental Sciences Introduction

  8. Vegetation water content mapping using Landsat data derived normalized difference water index for corn and soybeans

    E-Print Network [OSTI]

    Hunt Jr., E. Raymond

    Vegetation water content mapping using Landsat data derived normalized difference water index Information about vegetation water content (VWC) has widespread utility in agriculture, forestry. D 2003 Elsevier Inc. All rights reserved. Keywords: Vegetation water content; Landsat; NDWI 1

  9. Content Development Policy: Mechanical Aerospace & Civil Engineering 1 The University of Manchester Library

    E-Print Network [OSTI]

    Abrahams, I. David

    Content Development Policy: Mechanical Aerospace & Civil Engineering 1 The University of Manchester Library Content Development Policy Mechanical Aerospace and Civil Engineering Monday, 30 April 2012 ...........................................................................................................18 #12;2 Content Development Policy: Mechanical Aerospace & Civil Engineering Introduction

  10. Introduction Luminance and Chrominance High Frequency Content References Smoke Detection in Stationary Video Using

    E-Print Network [OSTI]

    Knaust, Helmut

    Introduction Luminance and Chrominance High Frequency Content References Smoke Detection and Chrominance High Frequency Content References The Problem The Problem: VIDEO: #12;Introduction Luminance and Chrominance High Frequency Content References Fire/Smoke Detection Techniques Standard techniques for fire

  11. Table of Contents Page i 2013 Residential Compliance Manual January 2014

    E-Print Network [OSTI]

    Table of Contents Page i 2013 Residential Compliance Manual January 2014 Table of Contents 5. Water Heating Requirements ................................................................................................................................1 5.1.1 Water Heating Energy

  12. RH-TRU Waste Content Codes (RH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-08-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR limits based on a 10-day shipping period (rather than the standard 60-day shipping period) may be used as specified in an approved content code. Requests for new or revised content codes may be submitted to the WIPP RH-TRU Payload Engineer for review and approval, provided all RH-TRAMPAC requirements are met.

  13. Errors in determination of soil water content using time-domain reflectometry caused by soil compaction around wave guides

    E-Print Network [OSTI]

    Ghezzehei, T.A.

    2008-01-01

    as well as the water content and water retention propertiesvariations in soil-water content, Water Resources Research,eld soil. Subsequent to water content water measurement, the

  14. Turbidimetric determination of the total glucozinolate content of rape

    SciTech Connect (OSTI)

    Kononova, R.V.; Chaika, I.K.; Levitskii, A.P.; Lucashenok, E.V.

    1986-03-01

    The objective of the investigation was to develop a procedure for the determination of the total GZ (glucozinolate--non-nurishing substances found in rapeseed) content from the content of sulfate ion SO/sup 2 -4/which is formed in the fermentative hydrolysis of GZ, based on the degree of turbidity formed by the addition of a barium chloride solution in the presence of the surfactant Tween-80 (poly(20)ethoxysorbitan monooleate.). The supernatant liquid is used to determine the SO/sup 2 -4 -/ion before and after fermentative hydrolysis. The GZ content of the analyzed sample of rapeseed raw material was calculated from an equation. Data show that the precision, reliability, and reproducibility of the results obtained by the proposed method are satisfactory. The procedure can be sued for serial analysis in selection establishments as well as feed production plants.

  15. Everyday the Same Picture: Popularity and Content Diversity

    E-Print Network [OSTI]

    Bessi, Alessandro; Del Vicario, Michela; Scala, Antonio; Caldarelli, Guido; Petroni, Fabio; Gonçalves, Bruno; Quattrociocchi, Walter

    2015-01-01

    Facebook is flooded by diverse and heterogeneous content, from kittens up to music and news, passing through satirical and funny stories. Each piece of that corpus reflects the heterogeneity of the underlying social background. In the Italian Facebook we have found an interesting case: a page having more than $40K$ followers that every day posts the same picture of Toto Cutugno, a popular Italian singer. In this work, we use such a page as a benchmark to study and model the effects of content heterogeneity on popularity. In particular, we use that page for a comparative analysis of information consumption patterns with respect to pages posting science and conspiracy news. In total, we analyze about $2M$ likes and $190K$ comments, made by approximately $340K$ and $65K$ users, respectively. We conclude the paper by introducing a model mimicking users selection preferences accounting for the heterogeneity of contents.

  16. Measurement of Moisture Content in Sand, Slag, and Crucible Materials

    SciTech Connect (OSTI)

    Gray, J.H.

    1999-09-20

    The deinventory process at Rocky Flats (RFETS) has included moisture content measurements of sand, slag, and crucible (SSC) materials by performing weight loss measurements at 210 degrees - 220 degrees Celsius on representative samples prior to packaging for shipment. Shipping requirements include knowledge of the moisture content. Work at the Savannah River Technology Center (SRTC) showed that the measurement at 210 degrees - 220 degrees Celsius did not account for all of the moisture. The objective of the work in this report was to determine if the measurement at 210 degrees - 220 degrees Celsius at RFETS could be used to set upper bounds on moisture content and therefore, eliminate the need for RFETS to unpack, reanalyze and repack the material.

  17. RH-TRU Waste Content Codes (RH TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions

    2007-05-01

    The Remote-Handled Transuranic (RH-TRU) Content Codes (RH-TRUCON) document describes the inventory of RH-TRU waste within the transportation parameters specified by the Remote-Handled Transuranic Waste Authorized Methods for Payload Control (RH-TRAMPAC).1 The RH-TRAMPAC defines the allowable payload for the RH-TRU 72-B. This document is a catalog of RH-TRU 72-B authorized contents by site. A content code is defined by the following components: • A two-letter site abbreviation that designates the physical location of the generated/stored waste (e.g., ID for Idaho National Laboratory [INL]). The site-specific letter designations for each of the sites are provided in Table 1. • A three-digit code that designates the physical and chemical form of the waste (e.g., content code 317 denotes TRU Metal Waste). For RH-TRU waste to be transported in the RH-TRU 72-B, the first number of this three-digit code is “3.” The second and third numbers of the three-digit code describe the physical and chemical form of the waste. Table 2 provides a brief description of each generic code. Content codes are further defined as subcodes by an alpha trailer after the three-digit code to allow segregation of wastes that differ in one or more parameter(s). For example, the alpha trailers of the subcodes ID 322A and ID 322B may be used to differentiate between waste packaging configurations. As detailed in the RH-TRAMPAC, compliance with flammable gas limits may be demonstrated through the evaluation of compliance with either a decay heat limit or flammable gas generation rate (FGGR) limit per container specified in approved content codes. As applicable, if a container meets the watt*year criteria specified by the RH-TRAMPAC, the decay heat limits based on the dose-dependent G value may be used as specified in an approved content code. If a site implements the administrative controls outlined in the RH-TRAMPAC and Appendix 2.4 of the RH-TRU Payload Appendices, the decay heat or FGGR limits based on a 10-day shipping period (rather than the standard 60-day shipping period) may be used as specified in an approved content code.

  18. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-02-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  19. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).

  20. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-09-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments" (10-day shipping period).