National Library of Energy BETA

Sample records for max benzene volume

  1. 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

  2. 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

  3. 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

  4. 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...

  5. 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).

  6. 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.

  7. Matrix Groups Max Neunhffer

    E-Print Network [OSTI]

    St Andrews, University of

    Matrix Groups Max Neunhöffer Introduction GAP examples Matrix groups in GAP Schreier-Sims Problems Group algebras SLPs Constructive recognition The problem Troubles Matrix Groups Max Neunhöffer University of St Andrews GAC 2010, Allahabad #12;Matrix Groups Max Neunhöffer Introduction GAP examples

  8. 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

  9. 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.

  10. Max-Planck-Institut fur Mathematik

    E-Print Network [OSTI]

    , Leipzig, Germany 4) Max Planck Institute for Mathematics in the Sciences, Leipzig, Germany 1 #12;We Helmholtz free energy of the solution as a function of radius of gyration and the cosolvent concentration within gyration volume. After minimization of the total Helmholtz free energy with respect to its

  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. 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

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. Making CARS better Max Zimmerleya

    E-Print Network [OSTI]

    Potma, Eric Olaf

    Making CARS better Max Zimmerleya , Hyun Min Kima , Desiré Whitmorea , Vishnu Vardhan is presented of recent trends in coherent anti-Stokes Raman scattering (CARS) microscopy. We briefly discuss the influence of tissue scattering on the CARS signal, methods for controlling the CARS emission and prospects

  6. Cloud Security by Max Garvey

    E-Print Network [OSTI]

    Tolmach, Andrew

    Cloud Security Survey by Max Garvey #12;Cloudy Cloud is Cloudy What is the cloud? On Demand Service, performance SECaaS - Cloud hosted security measures Certifications - measurements for cloud security. #12;Cloud Questions If you have $0 security budget, could cloud be a security improvement? Who owns the data

  7. 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...

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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.

  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. Technologietransfer fr die Max-Planck-Gesellschaft

    E-Print Network [OSTI]

    markets inventions in the fields of biology and medicine as well as in chemistry, physics and technology and creates new jobs in Ger- many as a business location. Every year, Max Planck Innovation evaluates 140. These spin-offs have since resulted in the creation of over 2,650 jobs. Die Max-Planck-Innovation GmbH ist

  3. Max-Planck-Institut fur Mathematik

    E-Print Network [OSTI]

    . Auera a Max-Planck-Institut for Chemical Energy Conversion, Stiftstraße 34-36, D-45470 M¨ulheim a.d.R, Germany; b Max-Planck-Institute for Mathematics in the Sciences, Inselstraße 22, D-04103 Leipzig, Germany-MO integral transformation, the calculation of the MP2 energy and the potential usage of tensors in low rank

  4. 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...

  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. 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

  7. 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

  8. 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

  9. 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

  10. Max Tech and Beyond Design Competition

    Broader source: Energy.gov [DOE]

    The Max Tech and Beyond Design Competition is an annual competition run by the Department of Energy (DOE) and the Lawrence Berkeley National Laboratory (LBNL) that challenges students to design...

  11. 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

  12. 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

  13. 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

  14. 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;

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. Max-Planck-Institut fur Mathematik

    E-Print Network [OSTI]

    Max-Planck-Institut f¨ur Mathematik in den Naturwissenschaften Leipzig Local Thermal Equilibrium;#12;Local Thermal Equilibrium States in Relativistic Quantum Field Theory Michael Gransee Abstract. It is well-known that thermal equilibrium states in quan- tum statistical mechanics and quantum field theory

  2. Research Life Cycle Max J. Egenhofer

    E-Print Network [OSTI]

    Egenhofer, Max J.

    Research Life Cycle Max J. Egenhofer #12;Five Phases Research Orientation Phase Research Startup Phase Research Proposal Preparation Phase Active Research Phase Harvest #12;Research Orientation Phase Identify the field in which you want to do research Do some selected reading · Identify key concepts

  3. Introduction to Graduate Research Max J. Egenhofer

    E-Print Network [OSTI]

    Egenhofer, Max J.

    a graduate degree A researcher's credentials (CV, publication list) Types of research Literature search SpeedSIE 501 Introduction to Graduate Research Max J. Egenhofer #12;Pragmatics 1-credit course · First;Topics Covered Measures of research success Goals of academic research Research life cycle How to get

  4. Max-Planck-Institut fur Mathematik

    E-Print Network [OSTI]

    , topology and information geometry. This research is motivated by a theory of info- max principles, where we operationally by coding theorems: These entropies quantify the amount of physical resources needed probability. Optimal tests are known in state tomog- raphy with respect to natural measures of efficiency [WF

  5. 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

  6. 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.

  7. 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)

  8. 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°

  9. 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

  10. Max-Planck-Institut f ur Mathematik

    E-Print Network [OSTI]

    by the equations: (1.1) (# t +D)u = 0, u(x; 0) = #, and Bu = 0. The specific heat # is a section to the dual bundle V # . Let #(#, #, D, B)(t) := # M u# be the total heat energy content. As t # 0, there is a completeMax-Planck-Institut fË? ur Mathematik in den Naturwissenschaften Leipzig Heat content asymptotics

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. Neurton Damage and MAX Phase Ternary Compounds

    SciTech Connect (OSTI)

    Barsoum, Michael; Hoffman, Elizabeth; Sindelar, Robert; Garcua-Duaz, Brenda; Kohse, Gordon

    2014-06-17

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the resonse of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  8. MaxPower Inc | Open Energy Information

    Open Energy Info (EERE)

    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 QA:QAsource History View NewTexas:Montezuma,InformationIllinois:Martin,OpenMatthews,Maverick County,MaxPower Inc

  9. Max-Planck-Institut fr biologische Kybernetik Max Planck Institute for Biological Cybernetics

    E-Print Network [OSTI]

    and analysis of human psychophysical experiments. · Good understanding of the English language in speaking Position in Human Motion Simulation The Max Planck Institute for Biological Cybernetics in Tübingen laws of perception will be implemented into the control framework of motion-based simulators. Human

  10. 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

  11. 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

  12. 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

  13. 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

  14. Princeton, Max Planck Society launch new research center for...

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

    of the Federal Republic of Germany in New York Busso von Alvensleben meet to sign an agreement launching the new Max Planck Princeton Research Center for Plasma Physics....

  15. AVTA: 2013 Ford C-MAX HEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Ford C-MAX HEV (a hybrid electric vehicle).

  16. 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.

  17. On Quanti ed Weighted MAX-SAT Amol Dattatraya Mali

    E-Print Network [OSTI]

    Mali, Amol D.

    On Quanti#12;ed Weighted MAX-SAT Amol Dattatraya Mali Dept. of Electrical Engg. & Computer Science, University of Wisconsin, Milwaukee, WI 53211, mali@miller.cs.uwm.edu, Phone: 1-414-229-6762, Fax: 1-414-229-2769, http://www.cs.uwm.edu/faculty/mali Abstract In this paper we introduce quanti#12;ed weighted MAX-SAT (Q

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. Max-Planck-Institut fur Mathematik

    E-Print Network [OSTI]

    at the price of an additional surface energy. We study analytically a two-dimensional variational model domains. We first derive the scaling regimes of the minimal energy in terms of the volume of the film opposing types of energies, namely, the stored strain energy due to the crystallographic misfit

  6. 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).

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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...

  16. 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.

  17. 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.

  18. 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...

  19. 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

  20. LINEAR-PROGRAMMING DESIGN AND ANALYSIS OF FAST ALGORITHMS FOR MAX 2-CSP

    E-Print Network [OSTI]

    Scott, Alexander Alexander

    LINEAR-PROGRAMMING DESIGN AND ANALYSIS OF FAST ALGORITHMS FOR MAX 2-CSP ALEXANDER D. SCOTT AND GREGORY B. SORKIN Abstract. The class Max (r, 2)-CSP (or simply Max 2-CSP) consists of constraint(G) (13/75 + o(1))m, which gives a faster Max 2-CSP algorithm that uses exponential space: running in time

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. (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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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.

  20. 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

  1. 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. ...

  2. 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.

  3. 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...

  4. 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)

  5. Curriculum Vitae Arne Max Erich Winguth, Ph.D.

    E-Print Network [OSTI]

    Winguth, Arne

    in an earth system model", two months summer salary, 2005. [9] Visiting Scientist, Max Planck Institute for Meteorology, Germany, "Development of marine carbon cycle in an earth system model", two months summer salary of marine carbon cycle in an earth system model", two months summer salary, 2003. [12] University

  6. Water Quality for Livestock Max Irsik DVM, MAB

    E-Print Network [OSTI]

    Watson, Craig A.

    Water Quality for Livestock Max Irsik DVM, MAB Beef Cattle Extension Veterinarian University of Florida College of Veterinary Medicine Water is an essential nutrient for humans and livestock and drinking water is the primary source of water for most cattle. The most important aspect of water

  7. Molecular motors interacting with their own tracks Max N. Artyomov

    E-Print Network [OSTI]

    Molecular motors interacting with their own tracks Max N. Artyomov Department of Chemistry; published 17 April 2008 Dynamics of molecular motors that move along linear lattices and interact with them exactly solvable discrete-state "burnt- bridge" models. Molecular motors are viewed as diffusing particles

  8. Quantum Algorithms for Evaluating MIN-MAX Trees

    E-Print Network [OSTI]

    Richard Cleve; Dmitry Gavinsky; David L. Yeung

    2007-10-31

    We present a bounded-error quantum algorithm for evaluating Min-Max trees. For a tree of size N our algorithm makes N^{1/2+o(1)} comparison queries, which is close to the optimal complexity for this problem.

  9. SINGLE-ZONE STACK-DOMINATED INFILTRATION MODELING Max Sherman

    E-Print Network [OSTI]

    dominates and total ventilation can be calculated by treating other effects (i.e., wind and small fansSINGLE-ZONE STACK-DOMINATED INFILTRATION MODELING Max Sherman Energy Performance of Buildings Group Energy, Office of Buildings and Community Systems Building Systems Division of the U.S. Department

  10. Naive Geography Max J. Egenhofer and David M. Mark

    E-Print Network [OSTI]

    California at Santa Barbara, University of

    Naive Geography by Max J. Egenhofer and David M. Mark National Center for Geographic Information;1 Abstract This paper defines the notion and concepts of Naive Geography, the field of study that is concerned with formal models of the common-sense geographic world. Naive Geography is the body of knowledge

  11. 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...

  12. 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.

  13. max walltime for "low" queue is increased to 24 hrs on Hopper

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

    max walltime for low queue is increased to 24 hrs on Hopper max walltime for low queue is increased to 24 hrs on Hopper May 31, 2012 by Helen He (0 Comments) We have increased the...

  14. WPPI GreenMax-Scheller Residence: Near Zero Energy Monitoring Summary

    SciTech Connect (OSTI)

    2010-11-19

    This report describes results of GreenMax 2 monitoring project referred to as the GreenMax Net Zero Home, a demonstration home that can provide a wealth of information for the building community.

  15. 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

  16. 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.

  17. Limitations of the planning organ at risk volume (PRV) concept

    SciTech Connect (OSTI)

    Stroom, Joep C. [Netherlands Cancer Institute, Department of Radiation Oncology, Amsterdam (Netherlands)]. E-mail: j.stroom@nki.nl; Heijmen, Ben J.M. [Erasmus MC-Daniel den Hoed Cancer Center, Department of Radiation Oncology, Rotterdam (Netherlands)

    2006-09-01

    Purpose: Previously, we determined a planning target volume (PTV) margin recipe for geometrical errors in radiotherapy equal to M{sub T} = 2{sigma} + 0.7{sigma}, with {sigma} and {sigma} standard deviations describing systematic and random errors, respectively. In this paper, we investigated margins for organs at risk (OAR), yielding the so-called planning organ at risk volume (PRV). Methods and Materials: For critical organs with a maximum dose (D{sub max}) constraint, we calculated margins such that D{sub max} in the PRV is equal to the motion averaged D{sub max} in the (moving) clinical target volume (CTV). We studied margins for the spinal cord in 10 head-and-neck cases and 10 lung cases, each with two different clinical plans. For critical organs with a dose-volume constraint, we also investigated whether a margin recipe was feasible. Results: For the 20 spinal cords considered, the average margin recipe found was: M{sub R} = 1.6{sigma} + 0.2{sigma} with variations for systematic and random errors of 1.2{sigma} to 1.8{sigma} and -0.2{sigma} to 0.6{sigma}, respectively. The variations were due to differences in shape and position of the dose distributions with respect to the cords. The recipe also depended significantly on the volume definition of D{sub max}. For critical organs with a dose-volume constraint, the PRV concept appears even less useful because a margin around, e.g., the rectum changes the volume in such a manner that dose-volume constraints stop making sense. Conclusion: The concept of PRV for planning of radiotherapy is of limited use. Therefore, alternative ways should be developed to include geometric uncertainties of OARs in radiotherapy planning.

  18. Sugar++: A SAT-Based MAX-CSP/COP Solver Tomoya Tanjo1

    E-Print Network [OSTI]

    Banbara, Mutsunori

    Sugar++: A SAT-Based MAX-CSP/COP Solver Tomoya Tanjo1 , Naoyuki Tamura2 , and Mutsunori Banbara2 1 describes some features of Sugar++, a SAT-based MAX- CSP/COP solver entering the Third International CSP Solver Competition. In our approach, a MAX-CSP is translated into a Constraint Optimization Problem (COP

  19. 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.

  20. 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.

  1. 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

  2. MAX-PLANCK-INSTITUT A Recursion Planning Analysis of

    E-Print Network [OSTI]

    Waldmann, Uwe

    Richard Barnett David Basin Jane Hesketh MPI­I­92­230 July 1992 k I N F O R M A T I K Im Stadtwald W 6600 Saarbr¨ucken Germany #12;Authors' Addresses Richard Barnett ICL Cavendish Road, Stevenage, Herts SG1 3DS, UK R.D.Barnett@ste0404.wins.icl.co.uk David Basin, Max-Planck-Institut f¨ur Informatik Im

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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)

  10. 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

  11. 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.

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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...

  19. Property:Incentive/MaxInc | Open Energy Information

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 Jump to: navigation, searchContDiv Jump to:FundSrc Jump to:MaxInc Jump to:

  20. Property:Incentive/PVPbiFitMaxKW | Open Energy Information

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 Jump to: navigation, searchContDiv Jump to:FundSrc JumpPVPbiFitMaxKW Jump

  1. MaxWest Environmental Systems | Open Energy Information

    Open Energy Info (EERE)

    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 QA:QA J-E-1 SECTION J APPENDIXsource HistoryScenariosMarysville Mt GeothermalMauna Loa Northeast RiftMaxWest

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. (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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. The use and misuse of Vc,max in Earth System Models Alistair Rogers

    E-Print Network [OSTI]

    Rogers, Alistair

    REVIEW The use and misuse of Vc,max in Earth System Models Alistair Rogers Received: 18 November Dordrecht (outside the USA) 2013 Abstract Earth System Models (ESMs) aim to project global change. Central Á Vc,max Á Leaf nitrogen Á Earth System Models Introduction The primary goal of Earth System Models

  5. Andreas Sundelf, Valerio Bartolino, Max Cardinale Aqua reports 2013:15

    E-Print Network [OSTI]

    Andreas Sundelöf, Valerio Bartolino, Max Cardinale Aqua reports 2013:15 Waking the Deads Final report #12;Waking the Deads Final report Andreas Sundelöf, Valerio Bartolino, Max Cardinale Address SLU 2013 SLU, Department of Aquatic Resources Aqua reports 2013:15 ISBN: 978-91-576-9177-4 (elektronisk

  6. Jung-Jin Lee PhD Candidate, Max Planck Institute for Biological Cybernetics

    E-Print Network [OSTI]

    Jung-Jin Lee PhD Candidate, Max Planck Institute for Biological Cybernetics I have been trained, and Action at Max Planck Institute for Biological Cybernetics, I conduct research on human factors and Behavioral Sciences! ! ! ! ! ! ! 2011 - present Korea University, Seoul, South Korea Master of Engineering

  7. 07. September 2007 Julia Ducke 1 Max-Planck-Institut fr

    E-Print Network [OSTI]

    07. September 2007 Julia Ducke 1 Max-Planck-Institut für Mikrostrukturphysik HalleWeb 2.0-Workshop Wiki Erfahrungen mit Web 2.0 Erfahrungsbericht aus der Bibliothek des MPI für Mikrostrukturphysik #12;07. September 2007 Julia Ducke 2 Max-Planck-Institut für Mikrostrukturphysik HalleWeb 2.0-Workshop #12

  8. 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

  9. 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

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. A Connectionist model of Planning via Back-chaining Search Max Garagnani

    E-Print Network [OSTI]

    Shastri, Lokendra

    A Connectionist model of Planning via Back-chaining Search Max Garagnani Department of Computing+1 World state ObservableEpisodic Memory ECALL Figure 1: A block diagram showing the basic compo

  15. Max-Min characterization of the mountain pass energy level for a class of variational problems

    E-Print Network [OSTI]

    Jacopo Bellazzini; Nicola Visciglia

    2009-09-01

    We provide a max-min characterization of the mountain pass energy level for a family of variational problems. As a consequence we deduce the mountain pass structure of solutions to suitable PDEs, whose existence follows from classical minimization argument.

  16. Max Tech Appliance Design: Potential for Maximizing U.S. Energy Savings through Standards

    E-Print Network [OSTI]

    Garbesi, Karina

    2011-01-01

    savings. Annual Reduction in Primary Energy Use for Best-on-Product Annual Reduction in Primary Energy Use for Max Tech30-year Baseline Primary Energy Use (quads) Annual Primary

  17. Max Tech and Beyond: Maximizing Appliance and Equipment Efficiency by Design

    E-Print Network [OSTI]

    Desroches, Louis-Benoit

    2012-01-01

    from moving to best-on- market designs) is realized for thefor most best-on-market products, design information isboth best-on-market and max tech designs (e.g. , best

  18. On the "counter-example" in the article "Max -controlled siphons for liveness of S3

    E-Print Network [OSTI]

    Reveliotis, Spiridon "Spyros"

    On the "counter-example" in the article "Max -controlled siphons for liveness of S3 PGR2 characterization of the S3PGR2 nets by means of the structural object of deadly marked siphon, are correct

  19. The introduction of symmetry constraints within MaxEnt Jaynes's methodology

    E-Print Network [OSTI]

    F. Holik; C. Massri; A. Plastino

    2014-12-31

    We provide a generalization of the approach to geometric probability advanced by the great mathematician Gian Carlo Rota, in order to apply it to generalized probabilistic physical theories. In particular, we use this generalization to provide an improvement of the Jaynes' MaxEnt method. The improvement consists in providing a framework for the introduction of symmetry constrains. This allows us to include group theory within MaxEnt. Some examples are provided.

  20. 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.

  1. 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.

  2. 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).

  3. 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.

  4. 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.

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

    SciTech Connect (OSTI)

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

    2011-01-15

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

  6. Volume Comparison

    Gasoline and Diesel Fuel Update (EIA)

    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 GasAdjustments (Billion Cubic Feet) Wyoming963 1.969 1.979Coal Consumers inYear JanSalesa.E. GreatCSV FileVolume

  7. 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.

  8. 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

  9. 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.

  10. 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

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

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

    E-Print Network [OSTI]

    Zheng, L.

    2011-01-01

    synthetic aluminous goethite before and after transformationAdsorption of lead(ll) on the goethite surface: voltammetric5.35.   Profile of the goethite volume fraction change (

  1. A Power-Law Formulation of Laminar Flow in Short Pipes Max Sherman

    E-Print Network [OSTI]

    A Power-Law Formulation of Laminar Flow in Short Pipes Max Sherman Indoor Environment Program ABSTRACT This report develops a theoretical description of the hydrodynamic relationship based on a power pipes can be described with a simple power law dependence on pressure, but that the exponent

  2. Improved Approximation Algorithms for the Min-max Tree Cover and Bounded Tree Cover Problems

    E-Print Network [OSTI]

    Salavatipour, Mohammad R.

    ). In this paper we consider Min-Max k-Tree Cover Problem (MMkTC) and Bounded Tree Cover Problem (BTC) defined of the largest tree in the cover is minimized. In the Bounded Tree Cover problem (BTC), we are given the weight G

  3. Computing Reliability Distributions of Windowed Max-log-map (MLM) Detectors : ISI Channels

    E-Print Network [OSTI]

    Kavcic, Aleksandar

    Computing Reliability Distributions of Windowed Max-log-map (MLM) Detectors : ISI Channels Fabian-log-map (MLM) detector has well-known appli- cations to the intersymbol interefence (ISI) channel [1, · · · , is trans- mitted across the ISI channel. Let the following random This work was performed when F. Lim

  4. A Variable Leaky LMS Adaptive Algorithm Max Kamenetsky and Bernard Widrow

    E-Print Network [OSTI]

    Widrow, Bernard

    A Variable Leaky LMS Adaptive Algorithm Max Kamenetsky and Bernard Widrow ISL, Department (650) 723-4769 fax: +1 (650) 723-8473 Abstract--The LMS algorithm has found wide application in many ar- eas of adaptive signal processing and control. We introduce a variable leaky LMS algorithm, designed

  5. Dr. Anke Henning -Curriculum vitae Business: Max Planck Institute for Biological Cybernetics

    E-Print Network [OSTI]

    Dr. Anke Henning - Curriculum vitae Business: Max Planck Institute for Biological Cybernetics MRZ Department Spemannstrasse 41 72076 Tübingen Germany Tel : +49 7071 601 723 anke.henning thesis: Prof. H.J. Hinneberg Structural investigations of CrSi2-films by TEM. 09.1999 - 05.2000 Exchange

  6. Cost-Optimal Planning using Weighted MaxSAT Nathan Robinson

    E-Print Network [OSTI]

    Gretton, Charles

    -benefit plan- ning in fixed-horizon problems. In this setting actions have costs and goal utilities canCost-Optimal Planning using Weighted MaxSAT Nathan Robinson , Charles Gretton , Duc-Nghia Pham the problem of computing optimal plans for propositional planning problems with action costs. In the spirit

  7. Large-Scale Patent Classification with Min-Max Modular Support Vector Machines

    E-Print Network [OSTI]

    Lu, Bao-Liang

    Large-Scale Patent Classification with Min-Max Modular Support Vector Machines Xiao-Lei Chu, Chao Ma, Jing Li, Bao-Liang Lu Senior Member, IEEE, Masao Utiyama, and Hitoshi Isahara Abstract-- Patent-world patent classification typically exceeds one million, and this number increases every year. An effective

  8. A Centralized Associative Behavioral Robotic System Rolando Panez Max Makeev A. Antonio Arroyo Eric Schwartz

    E-Print Network [OSTI]

    Schwartz, Eric M.

    A Centralized Associative Behavioral Robotic System Rolando Panez Max Makeev A. Antonio Arroyo Eric Laboratory University of Florida Abstract The implementation of swarm robotics is still in early stages of simplified swarm intelligence, between robots using the master/slave concept. This paper will give a brief

  9. Advanced Android Motion Detection App Number of teams you can accommodate: max 6

    E-Print Network [OSTI]

    Reed, Nancy E.

    Advanced Android Motion Detection App Number of teams you can accommodate: max 6 Number of students per team: 3-4 Industry Challenge Background The rapid rise of Android and iOS devices has made mobile to grow, many in the defense industry have started viewing Android-based devices as viable low

  10. AmbiMax: Autonomous Energy Harvesting Platform for Multi-Supply Wireless Sensor Nodes

    E-Print Network [OSTI]

    Shinozuka, Masanobu

    AmbiMax: Autonomous Energy Harvesting Platform for Multi-Supply Wireless Sensor Nodes Chulsung Park and a supercapacitor based energy storage system for wireless sensor nodes (WSN). Previous WSNs attempt to harvest of multiple energy harvesting sources including solar, wind, thermal, and vibration, each with a different

  11. On Quanti ed Weighted MAX-SAT Amol D. Mali 1

    E-Print Network [OSTI]

    Mali, Amol D.

    On Quanti#12;ed Weighted MAX-SAT Amol D. Mali 1 Abstract Propositional satis#12;ability (SAT Science, University of Wisconsin, Milwaukee, WI 53211, mali@miller.cs.uwm.edu, Phone: 1-414-229-6762, Fax: 1-414-229-2769, http://www.cs.uwm.edu/faculty/mali. This technical report is an extended version

  12. An Algorithm for Pruning Redundant Modules in Min-Max Modular Network

    E-Print Network [OSTI]

    Lu, Bao-Liang

    of the trained M3 network associated with training data to find out the redundant modules by means of `back, all trained network modules can be integreted into a M3 network automatically according to two moduleAn Algorithm for Pruning Redundant Modules in Min-Max Modular Network Hui-Cheng Lian and Bao

  13. HEAT RECOVERY IN BUILDING ENVELOPES Max H. Sherman and Iain S. Walker

    E-Print Network [OSTI]

    1 LBNL 47329 HEAT RECOVERY IN BUILDING ENVELOPES Max H. Sherman and Iain S. Walker Energy formula may produce an unreasonably high contribution because of heat recovery within the building physical model has been developed and used to predict the infiltration heat recovery based on the Peclet

  14. Airborne MAX-DOAS measurements over California: Testing the NASA OMI tropospheric NO2 product

    E-Print Network [OSTI]

    Airborne MAX-DOAS measurements over California: Testing the NASA OMI tropospheric NO2 product Hilke] Airborne Multi-AXis Differential Optical Absorption Spectroscopy (AMAX-DOAS) measurements of NO2 are compared to the NASA Ozone Monitoring Instrument (OMI) tropospheric vertical columns (data product v2

  15. Salmonella and tomatoes: Q & A for consumers1 Max Teplitski, Keith Schneider and Michelle Danyluk2

    E-Print Network [OSTI]

    Burns, Jacqueline K.

    SL263 Salmonella and tomatoes: Q & A for consumers1 Max Teplitski, Keith Schneider and Michelle sick. Typically, at least several thousand cells of Salmonella are required to cause salmonellosis in healthy adults (although one outbreak of salmonellosis resulted from consuming as few as four Salmonella

  16. Phosphatidic acid activates a wound-activated MAPK in Glycine max

    E-Print Network [OSTI]

    Hirt, Heribert

    the alfalfa MAPK, SIMK. When PA production is inhibited with n-butanol, an inhibitor of phospholipase DPhosphatidic acid activates a wound-activated MAPK in Glycine max Sumin Lee1 , Heribert Hirt2 a systemic increase in phosphatidic acid (PA) levels after being wounded (Lee et al., 1997). To understand

  17. 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

  18. Advances in Lung Volume

    E-Print Network [OSTI]

    Jones, Michelle

    Advances in Lung Volume Reduction Surgery The Ohio University Medical Center Lung Volume Reduction LungVolumeReductionSurgery Spring 2010 © 2010 The Ohio State University Medical Center ­ 04 Consult Ohio State's #12;The Ohio State University Medical Center Lung Volume Reduction Surgery Patient

  19. 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.

  20. 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 ...

  1. Queue length asymptotics for generalized max-weight scheduling in the presence of heavy-tailed traffic

    E-Print Network [OSTI]

    Jagannathan, Krishna Prasanna

    We investigate the asymptotic behavior of the steady-state queue length distribution under generalized max-weight scheduling in the presence of heavy-tailed traffic. We consider a system consisting of two parallel queues, ...

  2. 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).

  3. 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.

  4. ~max0006

    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-effectWorkingLosThe 26thI D- 6 0 4 2 rz machine |NNSA0202(2).pdf More

  5. Max Schulze

    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 Outreach Home Room NewsInformationJesse BergkampCentermillion toMSDSMaterialsMathematicalWalther

  6. Max Schulze

    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 on dark matter By Sarah Schlieder *8Matthew Tirrell

  7. Reduction of perturbation gas chromatographic data to equilibrium sorption isotherms with application to the ternary benzene / polybutadiene / cyclohexane system 

    E-Print Network [OSTI]

    Ruff, William Arthur

    1984-01-01

    the concepts of hard-core and free volumes to account for local liquid structure and, thus, volume changes on mixing. It involved considering the number of ways that particles of volume v* could be placed into a configurational space divided into cells whose... volume, v, was a function of temperature, pressure and composition. The volume v* became the hard-core or impenetrable volume of the segment and v became the actual molecular volume of the segment. The definition of a segment is arbitrary...

  8. 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.

  9. Max Tech and Beyond: Maximizing Appliance and Equipment Efficiency by Design

    SciTech Connect (OSTI)

    Desroches, Louis-Benoit; Garbesi, Karina

    2011-07-20

    It is well established that energy efficiency is most often the lowest cost approach to reducing national energy use and minimizing carbon emissions. National investments in energy efficiency to date have been highly cost-effective. The cumulative impacts (out to 2050) of residential energy efficiency standards are expected to have a benefit-to-cost ratio of 2.71:1. This project examined energy end-uses in the residential, commercial, and in some cases the industrial sectors. The scope is limited to appliances and equipment, and does not include building materials, building envelopes, and system designs. This scope is consistent with the scope of DOE's appliance standards program, although many products considered here are not currently subject to energy efficiency standards. How much energy could the United States save if the most efficient design options currently feasible were adopted universally? What design features could produce those savings? How would the savings from various technologies compare? With an eye toward identifying promising candidates and strategies for potential energy efficiency standards, the Max Tech and Beyond project aims to answer these questions. The analysis attempts to consolidate, in one document, the energy savings potential and design characteristics of best-on-market products, best-engineered products (i.e., hypothetical products produced using best-on-market components and technologies), and emerging technologies in research & development. As defined here, emerging technologies are fundamentally new and are as yet unproven in the market, although laboratory studies and/or emerging niche applications offer persuasive evidence of major energy-savings potential. The term 'max tech' is used to describe both best-engineered and emerging technologies (whichever appears to offer larger savings). Few best-on-market products currently qualify as max tech, since few apply all available best practices and components. The three primary analyses presented in this report are: Nevertheless, it is important to analyze best-on-market products, since data on truly max tech technologies are limited. (1) an analysis of the cross-cutting strategies most promising for reducing appliance and equipment energy use in the U.S.; (2) a macro-analysis of the U.S. energy-saving potential inherent in promising ultra-efficient appliance technologies; and (3) a product-level analysis of the energy-saving potential.

  10. Property:OpenEI/UtilityRate/DemandRateStructure/Tier1Max | Open Energy

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 JumpPublicationDate Jump to:Information Tier1Max Jump to: navigation,

  11. Property:OpenEI/UtilityRate/DemandRateStructure/Tier2Max | Open Energy

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 JumpPublicationDate Jump to:Information Tier1Max Jump

  12. Property:OpenEI/UtilityRate/DemandRateStructure/Tier3Max | Open Energy

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 JumpPublicationDate Jump to:Information Tier1MaxInformation

  13. Property:OpenEI/UtilityRate/EnergyRateStructure/Tier3Max | Open Energy

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 JumpPublicationDate JumpEnergyInformation SellInformation Max Jump

  14. Property:OpenEI/UtilityRate/EnergyRateStructure/Tier5Max | Open Energy

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 JumpPublicationDateInformation Max Jump to: navigation, search This is

  15. Property:OpenEI/UtilityRate/EnergyRateStructure/Tier6Max | Open Energy

    Open Energy Info (EERE)

    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 QA:QAsource History ViewMayo,AltFuelVehicle2 JumpPublicationDateInformation Max Jump to: navigation,

  16. text in "Max kWh" fields | OpenEI Community

    Open Energy Info (EERE)

    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 QA:QA J-E-1 SECTION J APPENDIX ECoop IncIowa (UtilityMichigan)data bookresult formats Homestormtext in "Max

  17. Claire E. Max, 2004 | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    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-effectWorkingLosThe 26thI D- 6 0GrantsTheBurtonCertifiedChicago OfficeClaire E. Max,

  18. 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.

  19. 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 ...

  20. Statistically Quantitative Volume Visualization

    E-Print Network [OSTI]

    Kniss, Joe Michael

    in the visualization pipeline involves some level of uncertainty, this valuable quantity should accessible as part for volume visualization ­ Risk transfer functions ­ Visual uncertainty ­ Interactive decision manipulation

  1. Computer News, Volume 2

    E-Print Network [OSTI]

    MATH DEPT Computer News, Volume 2. How to handle .pdf files on the web: acroread, distill, and Netscape. Click on RELOAD now. This page is frequently ...

  2. Computer News, Volume 35

    E-Print Network [OSTI]

    MATH DEPT Computer News, Volume 34. Click on RELOAD now. This page is frequently updated and you might be looking at an old version saved by your ...

  3. 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.

  4. Max Phase Materials And Coatings For High Temperature Heat Transfer Applications

    SciTech Connect (OSTI)

    Martinez-Rodriguez, M.; Garcia-Diaz, B.; Olson, L.; Fuentes, R.; Sindelar, R.

    2015-10-19

    Molten salts have been used as heat transfer fluids in a variety of applications within proposed Gen IV nuclear designs and in advanced power system such as Concentrating Solar Power (CSP). However, operating at elevated temperatures can cause corrosion in many materials. This work developed coating technologies for MAX phase materials on Haynes-230 and characterized the corrosion of the coatings in the presence of commercial MgCl2-KCl molten salt. Cold spraying of Ti2AlC and physical vapor deposition (PVD) of Ti2AlC or Zr2AlC were tested to determine the most effective form of coating MAX phases on structural substrates. Corrosion testing at 850°C for 100 hrs showed that 3.9 ?m Ti2AlC by PVD was slightly protective while 117 ?m Ti2AlC by cold spray and 3.6 ?m Zr2AlC by PVD were completely protective. None of the tests showed decomposition of the coating (Ti or Zr) into the salt

  5. Volume Ray Casting Neslisah Torosdagli

    E-Print Network [OSTI]

    Pattanaik, Sumanta N.

    Volume Ray Casting Neslisah Torosdagli #12;Overview · Light Transfer Optical Models · Math behind Direct Volume Ray Casting · Demonstration · Transfer Functions · Details of our Application · References #12;What is Volume Ray Casting? · Volume Ray Casting is construction of 3D volume using stack of 2D

  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. 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...

  8. 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...

  9. Min-max control design for large angle maneuvers of flexible spacecraft 

    E-Print Network [OSTI]

    Kim, Cheolho

    1991-01-01

    ( ber) gP Shankar P. Bhattacharyy (Member) Srinivas R. Vadali (Member) /Ye~- gc'g Walter E. Haisler (Head of Department) December 1991 ABSTRACT Min-Max Control Design for Large Angle Maneuvers of Flexible Spacecraft(December 1991) Cheolho I...] ? S] C2 6, (2, 1. 10) 03 C]S2C3 + S3S] C]S2S] + C3S] C]C2 63 where C, = cos8, and S, = sin8, . Hence, o] = d];6, = (C2C3)61+ ( ? C2S3)62+ (S3)63 (2, 1. 11) For the convenience of notation, the permutation symbol e03 is used. 1 e;ic = 0 ? 1...

  10. Boride-based nano-laminates with MAX-phase-like behaviour

    SciTech Connect (OSTI)

    Telle, Rainer . E-mail: telle@ghi.rwth-aachen.de; Momozawa, Ai; Music, Denis; Schneider, Jochen M.

    2006-09-15

    MAX-phases being usually composed of transition metals, group A elements and carbon/nitrogen are considered interesting materials for many applications because of their tremendous bulk modulus, 'reversible' plasticity, and machinability. This is mainly due to their unique kind of bonding comprising covalent, ionic as well as metallic bonds providing 'easy' planes of rupture and deformability due to the layered crystal structures. In transition metal boride systems, similar types of bonding are available. In particular the W{sub 2}B{sub 5}-structure type and its stacking variations allow the synthesis of strongly layered crystal structures exhibiting unique delamination phenomena. The paper presents ab initio calculations showing the similarities of bonding between the ternary carbides and the corresponding ternary or quaternary borides. Formation of boride-based nano-laminates from auxiliary liquid phases, from the melt as well as during sintering and precipitation from supersaturated solid solutions will be discussed by means of SEM and TEM studies. The role of impurities weakening the interlayer bonding will be addressed in particular. The pronounced cleavage parallel to the basal plane gives rise for crack deflection and pull-out mechanisms if the laminates are dispersed in brittle matrices such as boron carbide, silicon carbide or other transition metal borides. - Graphical abstract: Some transition metal borides crystallise in a layered structure of alternating stacks of metal and boron atoms giving rise for strongly anisotropic properties. Their preferred cleavage parallel and the deformability perpendicular to the basal plan are similar to the peculiar mechanical behaviour recently described for MAX-phases. Ab initio calculations of the crystal structure prove the weak bonds between the layers for a variety of borides which can be used to reinforce ceramic materials on a nano-scale level.

  11. Head Tracking for the Oculus Rift Steven M. LaValle1 Anna Yershova1 Max Katsev1 Michael Antonov

    E-Print Network [OSTI]

    LaValle, Steven M.

    maintaining human head orientation using low-cost MEMS sensors. We particularly address gyroscope integrationHead Tracking for the Oculus Rift Steven M. LaValle1 Anna Yershova1 Max Katsev1 Michael Antonov tracking head movement in the Oculus Rift Development Kit, which is the most widely used virtual reality

  12. 5782 IEEE TRANSACTIONS ON SIGNAL PROCESSING, VOL. 55, NO. 12, DECEMBER 2007 Max-SINR ISI/ICI-Shaping Multicarrier

    E-Print Network [OSTI]

    Schniter, Philip

    5782 IEEE TRANSACTIONS ON SIGNAL PROCESSING, VOL. 55, NO. 12, DECEMBER 2007 Max-SINR ISI-symbol/inter-car- rier interference (ISI/ICI) subject to orthogonal or biorthogonal constraints. In doubly dispersive channels, however, complete sup- pression of ISI/ICI is impossible, and the ISI/ICI pattern gener- ated

  13. INTEGRAL EQUATIONS FOR KINEMATIC DYNAMO MODELS Max-Planck-Institut fur Aeronomie, Katlenburg-Lindau, Germany1

    E-Print Network [OSTI]

    Dobler, Wolfgang

    INTEGRAL EQUATIONS FOR KINEMATIC DYNAMO MODELS W. Dobler Max-Planck-Institut f¨ur Aeronomie of the induction equation and boundary conditions at infinity into an integral equation. We show that the integral of integration by parts and shows that an arbitrary gradient can be added to or subtracted from j(x) 1 Address

  14. ITALY DAILY, WEDNESDAY, JULY 25, 2001 PAGE 3 temp min c/f max c/f

    E-Print Network [OSTI]

    Frischer, Bernard

    Hunting for Horace's Humble Home Did the Poet Live as Modestly as He Said He Did? An Archaeological TeamDISCOVER ITALY DAILY, WEDNESDAY, JULY 25, 2001 PAGE 3 Weather temp min c/f max c/f SUNNY PARTLY in his writing than many of his contemporaries, he left clues as to where he made his home. He wrote

  15. In-Depth Look at Ground Source Heat Pumps and Other Electric Loads in Two GreenMax Homes

    SciTech Connect (OSTI)

    Puttagunta, S.; Shapiro, C.

    2012-04-01

    CARB partnered with WPPI Energy to answer key research questions on in-field performance of ground-source heat pumps and LAMELs through extensive field monitoring at two WPPI GreenMax demonstration homes in Wisconsin. These two test home evaluations provided valuable data on the true in-field performance of various building mechanical systems and lighting, appliances, and miscellaneous loads (LAMELs).

  16. DETECTION OF HAIRLINE MANDIBULAR FRACTURE USING MAX-FLOW MIN-CUT AND KOLMOGOROV-SMIRNOV DISTANCE

    E-Print Network [OSTI]

    Bhandarkar, Suchendra "Suchi" M.

    DETECTION OF HAIRLINE MANDIBULAR FRACTURE USING MAX-FLOW MIN-CUT AND KOLMOGOROV-SMIRNOV DISTANCE. ABSTRACT The paper addresses a clinically challenging problem of hairline mandibular fracture detection from Computed Tomography (CT) images. A hairline fracture that has critical clinical importance, can

  17. Finite Volume Element Method

    E-Print Network [OSTI]

    2003-12-06

    a volume integral formulation of the problem with a finite partitioning set of ... where ?0 and ?1 partition the boundary of ?, the ds-measure of ?0 is strictly positive ...

  18. Application of binary parameters to the ternary cyclohexane/polybutadiene/benzene system using open tubular columns in gas chromatography 

    E-Print Network [OSTI]

    Tsotsis, Thomas Karl

    1986-01-01

    ) = const(vs ? v 3) '" esp( ') (kT) or in reduced variables Z(T. V) = const v"" (63 ? 1) " ezp~= crN - 3 scrN Cr P I. T) where V v = ?. = volume per segment r? 11 V reduced volume rNv" hard-core volume per segment N = number of molecules 1 p... total hydrostatic pressure ckT characteristic pressure = ?--- In order to extend the Flory theory to mixtures. a. set of mixing rules must be established: 12 1) Segment sizes are chosen to be equal v, =v =v 2) The total hard-core volume...

  19. FY 2012 Volume 4

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9Energy2 fVolume 4

  20. FY 2012 Volume 5

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9Energy2 fVolume

  1. FY 2012 Volume 7

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9Energy2 Volume 7

  2. When do stochastic max-plus linear systems have a cycle time ?

    E-Print Network [OSTI]

    Merlet, Glenn

    2007-01-01

    We analyze the asymptotic behavior of the sequence of random variables (x(n, x0))n \\in N defined by x(0, x0) = x0 and x(n+1, x0) = A(n)x(n, x0), where (A(n))n \\in N is a stationary and ergodic sequence of random matrices with entries in the semiring (R \\cup {-\\infinity}, max, +). Such sequences model a large class of discrete event systems, among which timed event graphs, 1-bounded Petri nets, some queuing networks, train or computer networks. We give a necessary condition for 1/n x(n, x0) n \\in N to converge almost-surely, which proves to be sufficient when the A(n) are i.i.d. Moreover, we construct a new example, in which (A(n))n \\in N is strongly mixing, that condition is satisfied, but 1/n x(n, x0) n \\in N do not converge almost-surely.

  3. 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.

  4. 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.

  5. Viability Assessment Volume 4

    SciTech Connect (OSTI)

    DOE

    1998-12-01

    Volume 4 provides the DOE plan and cost estimate for the remaining work necessary to proceed from completing this VA to submitting an LA to NRC. This work includes preparing an EIS and evaluating the suitability of the site. Both items are necessary components of the documentation required to support a decision in 2001 by the Secretary of Energy on whether or not to recommend that the President approve the site for development as a repository. If the President recommends the site to Congress and the site designation becomes effective, then DOE will submit the LA to NRC in 2002 for authorization to construct the repository. The work described in Volume 4 constitutes the last step in the characterization of the Yucca Mountain site and the design and evaluation of the performance of a repository system in the geologic setting of this site. The plans in this volume for the next 4 years' work are based on the results of the previous 15 years' work, as reported in Volumes 1, 2, and 3 of this VA. Volume 1 summarizes what DOE has learned to date about the Yucca Mountain site. Volume 2 describes the current, reference repository design, several design options that might enhance the performance of the reference design, and several alternative designs that represent substantial departures from the reference design. Volume 2 also summarizes the results of tests of candidate materials for waste packages and for support of the tunnels into which waste would be emplaced. Volume 3 provides the results of the latest performance assessments undertaken to evaluate the performance of the design in the geologic setting of Yucca Mountain. The results described in Volumes 1, 2, and 3 provide the basis for identifying and prioritizing the work described in this volume. DOE believes that the planned work, together with the results of previous work, will be sufficient to support a site suitability evaluation for site recommendation and, if the site is recommended and designated, a defensible LA. Volume 4 is divided into seven sections. Section 2 presents a rationale and summary for the technical work to be done to develop the preclosure and postclosure safety cases that will support the compliance evaluations required for the evaluation of site suitability and for licensing. Section 2 also describes other necessary technical work, including that needed to support design decisions and development of the necessary design information. Section 3 presents a more detailed description of the technical work required to address the issues identified in Section 2. Section 3 also describes activities that will continue after submittal of the site recommendation and the LA. Examples include the drift scale heater test in the Exploratory Studies Facility (Section 3.1.4.3) and long-term waste package corrosion testing (Section 3.2.2.9). Section 4 discusses the statutory and regulatory framework for site recommendation and submittal of an LA, and describes the activities and documentation that must be completed to achieve these milestones, including the development of an EIS. Section 5 describes the numerous activities required to support program milestones, including support for completing the testing program, continuing tests as part of the performance confirmation program, and managing information and records to support regulatory and legal review. Sections 6 and 7 provide cost and schedule information for the activities planned.

  6. 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.

  7. An In-Depth Look at Ground Source Heat Pumps and Other Electric Loads in Two GreenMax Homes

    SciTech Connect (OSTI)

    Puttagunta, Srikanth; Shapiro, Carl

    2012-04-01

    Building America research team Consortium for Advanced Residential Buildings (CARB) partnered with WPPI Energy to answer key research questions on in-field performance of ground-source heat pumps and lighting, appliance, and miscellaneous loads (LAMELs) through extensive field monitoring at two WPPI GreenMax demonstration homes in Wisconsin. These two test home evaluations provided valuable data on the true in-field performance of various building mechanical systems and LAMELs.

  8. CHARACTERIZATION Volume 1: Report

    E-Print Network [OSTI]

    #12;EFFLUENT CHARACTERIZATION STUDY Volume 1: Report for FRASER RIVER ESTUARY MANAGEMENT PROGRAM Report No.: F07201RP.J11 #12;EFFLUENT CHARACTERIZATION STUDY i PREFACE The Fraser River Estuary Resource Inc. (TRI) was contracted to characterize the effluent from eleven industrial sites. Mc

  9. Constant Volume During Combustion | Department of Energy

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

    Constant Volume During Combustion Constant Volume During Combustion This presentation covers constant volume during combustion and discusses how it can alter the kinematics of...

  10. Cell, Volume 127 Supplemental Data

    E-Print Network [OSTI]

    Doebley, John

    Cell, Volume 127 Supplemental Data The Molecular Genetics of Crop Domestication John F. Doebley supplemental information. 2 For genes listed

  11. Viability Assessment Volume 2

    SciTech Connect (OSTI)

    DOE

    1998-12-01

    This volume describes the major design features of the Monitored Geologic Repository. This document is not intended to provide an exhaustive, detailed description of the repository design. Rather, this document summarizes the major systems and primary elements of the design that are radiologically significant, and references the specific technical documents and design analyses wherein the details can be found. Not all portions of the design are at the same level of completeness. Highest priority has been given to assigning resources to advance the design of the Monitored Geologic Repository features that are important to radiological safety and/or waste isolation and for which there is no NRC licensing precedent. Those features that are important to radiological safety and/or waste isolation, but for which there is an NRC precedent, receive second priority. Systems and features that have no impact on radiological safety or waste isolation receive the lowest priority. This prioritization process, referred to as binning, is discussed in more detail in Section 2.3. Not every subject discussed in this volume is given equal treatment with regard to the level of detail provided. For example, less detail is provided for the surface facility design than for the subsurface and waste package designs. This different level of detail is intentional. Greater detail is provided for those functions, structures, systems, and components that play key roles with regard to protecting radiological health and safety and that are not common to existing nuclear facilities already licensed by NRC. A number of radiological subjects are not addressed in the VA, (e.g., environmental qualification of equipment). Environmental qualification of equipment and other radiological safety considerations will be addressed in the LA. Non-radiological safety considerations such as silica dust control and other occupational safety considerations are considered equally important but are not addressed in th is volume of the VA (see Volume 1, Section 2.2.1.2, subsection on Health Related Mineral Issues).

  12. High Volume Test Automation 1 High Volume Test AutomationHigh Volume Test Automation

    E-Print Network [OSTI]

    High Volume Test Automation 1 High Volume Test AutomationHigh Volume Test Automation Keynote Automation 2 AcknowledgementsAcknowledgements · Many of the ideas in this presentation were initially jointly developed with Doug Hoffman,as we developed a course on test automation architecture, and in the Los Altos

  13. Fluid mechanics experiments in oscillatory flow. Volume 1

    SciTech Connect (OSTI)

    Seume, J.; Friedman, G.; Simon, T.W.

    1992-03-01

    Results of a fluid mechanics measurement program is oscillating flow within a circular duct are present. The program began with a survey of transition behavior over a range of oscillation frequency and magnitude and continued with a detailed study at a single operating point. Such measurements were made in support of Stirling engine development. Values of three dimensionless parameters, Re{sub max}, Re{sub W}, and A{sub R}, embody the velocity amplitude, frequency of oscillation and mean fluid displacement of the cycle, respectively. Measurements were first made over a range of these parameters which included operating points of all Stirling engines. Next, a case was studied with values of these parameters that are representative of the heat exchanger tubes in the heater section of NASA`s Stirling cycle Space Power Research Engine (SPRE). Measurements were taken of the axial and radical components of ensemble-averaged velocity and rms-velocity fluctuation and the dominant Reynolds shear stress, at various radial positions for each of four axial stations. In each run, transition from laminar to turbulent flow, and in reverse, were identified and sufficient data was gathered to propose the transition mechanism. Models of laminar and turbulent boundary layers were used to process the data into wall coordinates and to evaluate skin friction coefficients. Such data aids in validating computational models and is useful in comparing oscillatory flow characteristics to those of fully-developed steady flow. Data were taken with a contoured entry to each end of the test section and with flush square inlets so that the effects of test section inlet geometry on transition and turbulence are documented. The following is presented in two-volumes. Volume I contains the text of the report including figures and supporting appendices. Volume II contains data reduction program listings and tabulated data (including its graphical presentation).

  14. FY 2005 Volume 1

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress More Documents & PublicationsTableVolume

  15. FY 2005 Volume 3

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress More Documents &3 February 2004 Volume 3

  16. FY 2005 Volume 4

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress More Documents &3 February 2004 Volume

  17. FY 2005 Volume 5

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress More Documents &3 February 2004 Volume5

  18. FY 2005 Volume 6

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress More Documents &3 February 2004 Volume56

  19. FY 2005 Volume 7

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress More Documents &3 February 2004 Volume567

  20. FY 2008 Volume 1

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan k Res earc h,14 Volume 1

  1. FY 2008 Volume 2

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan k Res earc h,14 Volume 115

  2. FY 2008 Volume 3

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan k Res earc h,14 Volume

  3. FY 2008 Volume 4

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan k Res earc h,14 Volume17

  4. FY 2008 Volume 5

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan k Res earc h,14 Volume178

  5. FY 2008 Volume 6

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan k Res earc h,14 Volume1789

  6. FY 2009 Volume 2

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan k ResOrganization25 Volume

  7. FY 2010 Volume 1

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan kOMBAppropriation35 Volume

  8. FY 2010 Volume 7

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume 7 Fossil Energy

  9. FY 2011 Volume 1

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9 FY 2009S u u m

  10. FY 2011 Volume 2

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9 FY 2009S u u m48

  11. FY 2011 Volume 4

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9 FY 2009S u u

  12. FY 2011 Volume 5

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9 FY 2009S u u51

  13. FY 2012 Volume 1

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9Energy

  14. FY 2012 Volume 2

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9Energy2 f

  15. FY 2012 Volume 6

    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 GasAdjustmentsShirleyEnergy A plug-inPPLforLDRD Report to Congress MoreHyd rog en Tan41 Volume9Energy2

  16. FY 2013 Volume 3

    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 GasAdjustmentsShirley Ann JacksonDepartment ofOffice ofofWindUpcoming events inthe Department's73 Volume 3 Printed

  17. FY 2013 Volume 4

    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 Fuelsof Energy Services » Program ManagementAct4 DOE/CF-0074 Volume 4 Science

  18. FY 2013 Volume 5

    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 Fuelsof Energy Services » Program ManagementAct4 DOE/CF-0074 Volume 4 Science5

  19. FY 2013 Volume 6

    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 Fuelsof Energy Services » Program ManagementAct4 DOE/CF-0074 Volume 4 Science56

  20. FY 2013 Volume I

    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 Fuelsof Energy Services » Program ManagementAct4 DOE/CF-0074 Volume 4 Science561

  1. 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.

  2. HAZARDOUS WASTE & HAZARDOUS MATERIALS Volume 13, Number 2, 1996

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    bioremediation systems in Brazil. INTRODUCTION Groundwater contamination by petroleum hydrocarbons contamination by the toxic and water soluble components such as benzene, toluene, and xylenes (BTX promise as a cost-effective approach to hydrocarbon plume management. This technique requires thorough

  3. 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.

  4. 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.

  5. Twisted mass finite volume effects

    SciTech Connect (OSTI)

    Colangelo, Gilberto; Wenger, Urs; Wu, Jackson M. S.

    2010-08-01

    We calculate finite-volume effects on the pion masses and decay constant in twisted mass lattice QCD at finite lattice spacing. We show that the lighter neutral pion in twisted mass lattice QCD gives rise to finite-volume effects that are exponentially enhanced when compared to those arising from the heavier charged pions. We demonstrate that the recent two flavor twisted mass lattice data can be better fitted when twisted mass effects in finite-volume corrections are taken into account.

  6. 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.

  7. 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.

  8. 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.

  9. 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 ...

  10. 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.

  11. Rehab guide: Roofs. Volume 3

    SciTech Connect (OSTI)

    1999-03-01

    Nine volumes will eventually make up The Rehab Guide in its entirety, and they are listed on the back cover of this volume. Each one is devoted to distinct elements of the house, and within each volume is a range of issues that are common to that element of home rehabilitation work. This volume, Roofs, for example, covers the major roofing systems including framing and sheathing; protective strategies such as underlayments and flashing; energy and air infiltration issues; roofing materials; and gutters and down-spouts. Each volume addresses a wide range techniques, materials, and tools, and recommendations based on regional differences around the country. Throughout The Rehab Guide, special attention is given to issues related to energy efficiency, sustainability, and accessibility.

  12. Building America Program Evaluation, Harvard University, Volume...

    Energy Savers [EERE]

    1, 2004 Building America Program Evaluation, Harvard University, Volume 1, 2004 Building America Program Evaluation, Volume I: Main Report, prepared by Energy Technology Innovation...

  13. Building America Program Evaluation, Harvard University, Volume...

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

    2, 2004 Building America Program Evaluation, Harvard University, Volume 2, 2004 Building America Program Evaluation, Volume II: Appendices, prepared by: Energy Technology...

  14. Nuclear power reactor instrumentation systems handbook. Volume...

    Office of Scientific and Technical Information (OSTI)

    Nuclear power reactor instrumentation systems handbook. Volume 1 Citation Details In-Document Search Title: Nuclear power reactor instrumentation systems handbook. Volume 1 You...

  15. 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.

  16. Randomized min-max optimization: the exact risk of multiple cost levels Algo Car`e, Simone Garatti, Marco C. Campi

    E-Print Network [OSTI]

    Garatti, Simone

    . Our goal is to evaluate the risks associated to the various costs, where the risk associated to a cost. This evaluation characterizes completely the risks associated to the costs, and represents a full-fledged resultRandomized min-max optimization: the exact risk of multiple cost levels Algo Car`e, Simone Garatti

  17. IEEE TRANSACTIONS ON WIRELESS COMMUNICATIONS, VOL. XX, NO. XX, MONTH 2008 1 Redefinition of Max-Min Fairness in Multi-hop Wireless Networks

    E-Print Network [OSTI]

    Jiang, Hai

    . Zhuang is with the Centre for Wireless Com- munications, Department of Electrical and ComputerIEEE TRANSACTIONS ON WIRELESS COMMUNICATIONS, VOL. XX, NO. XX, MONTH 2008 1 Redefinition of Max-Min Fairness in Multi-hop Wireless Networks Ping Wang, Member, IEEE, Hai Jiang, Member, IEEE, Weihua Zhuang

  18. Name e-mail position Institution 1 Arndt, Max m.arndt@ged.rwth-aachen.de PhD RWTH-Aachen University, Geologie Endogene Dynamik, Aachen, Germany

    E-Print Network [OSTI]

    Cesare, Bernardo

    Name e-mail position Institution 1 Arndt, Max m.arndt@ged.rwth-aachen.de PhD RWTH-Aachen University, Geologie Endogene Dynamik, Aachen, Germany 2 Billia, Marco marco.billia@alumni.ethz.ch PhD Department of Geology, University of Otago, New Zealand 3 Boutonnet, Emmanuelle emmanuelle.boutonnet@ens-lyon.fr PhD

  19. [10] K. Mehlhorn and C. Uhrig. The Minimum Cut Algorithm of Stoer and Wagner. Unpublished manuscript, Max Planck Institute for Computer Science. Available at

    E-Print Network [OSTI]

    Fegaras, Leonidas

    [10] K. Mehlhorn and C. Uhrig. The Minimum Cut Algorithm of Stoer and Wagner. Unpublished manuscript, Max Planck Institute for Computer Science. Available at http://www.mpi­sb.mpg.de/guide/staff/uhrig, pp 238--248, May 1997. [15] P. Selinger, M. Astrahan, D. Chamberlin, R. Lorie, and T. Price. Access

  20. Reprocessing of line FFI-161 of the Brazos-Galveston area using Pro-MAX 2D to evaluate migration techniques 

    E-Print Network [OSTI]

    Fofang, Nicholas Ndeh

    1996-01-01

    ProMAX 2D, a software for the interactive and batch processing of two dimensional seismic data, was used to process approximately 25 km of seismic data from line FFI-161 of the Brazos-Galveston area of the Gulf of Mexico. ...

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. International Linear Collider Technical Design Report (Volumes 1 through 4)

    SciTech Connect (OSTI)

    Harrison M.

    2013-03-27

    The design report consists of four volumes: Volume 1, Executive Summary; Volume 2, Physics; Volume 3, Accelerator (Part I, R and D in the Technical Design Phase, and Part II, Baseline Design); and Volume 4, Detectors.

  8. Volume-Duration-Frequencies for Ungaged Catchments in Texas 

    E-Print Network [OSTI]

    Devulapalli, Ravi S.; Valdes, Juan B.

    1996-01-01

    of individual phases, consists of two volumes. Volume I (titled Volume-Duration-Frequencies for Ungaged Catchments in Texas: Calculation of Regional Regression Equations) presents the regional regression equations developed, while Volume II (titled Volume...

  9. High air volume to low liquid volume aerosol collector

    DOE Patents [OSTI]

    Masquelier, Donald A. (Tracy, CA); Milanovich, Fred P. (Lafayette, CA); Willeke, Klaus (Cincinnati, OH)

    2003-01-01

    A high air volume to low liquid volume aerosol collector. A high volume flow of aerosol particles is drawn into an annular, centripetal slot in a collector which directs the aerosol flow into a small volume of liquid pool contained is a lower center section of the collector. The annular jet of air impinges into the liquid, imbedding initially airborne particles in the liquid. The liquid in the pool continuously circulates in the lower section of the collector by moving to the center line, then upwardly, and through assistance by a rotating deflector plate passes back into the liquid at the outer area adjacent the impinging air jet which passes upwardly through the liquid pool and through a hollow center of the collector, and is discharged via a side outlet opening. Any liquid droplets escaping with the effluent air are captured by a rotating mist eliminator and moved back toward the liquid pool. The collector includes a sensor assembly for determining, controlling, and maintaining the level of the liquid pool, and includes a lower centrally located valve assembly connected to a liquid reservoir and to an analyzer for analyzing the particles which are impinged into the liquid pool.

  10. Bent Diamond Crystals and Multilayer Based Optics at the new 5-Station Protein Crystallography Beamline 'Cassiopeia' at MAX-lab

    SciTech Connect (OSTI)

    Mammen, Christian B.; Als-Nielsen, Jens; Ursby, Thomas; Thunnissen, Marjolein

    2004-05-12

    A new 5-station beamline for protein crystallography is being commissioned at the Swedish synchrotron light source MAX-II at Lund University. Of the 2K/{gamma} = 14 mrad horizontal wiggler fan, the central 2 mrad are used and split in three parts. The central 1 mrad will be used for a station optimized for MAD experiments and on each side of the central fan, from 0.5 mrad to 1 mrad, there are two fixed energy stations using different energies of the same part of the beam. These, in total five stations, can be used simultaneously and independently for diffraction data collection. The two upstream monochromators for the side stations are meridionally bent asymmetric diamond(111) crystals in Laue transmission geometry. The monochromators for the downstream side stations are bent Ge(111) crystals in asymmetric Bragg reflection geometry. Curved multilayer mirrors inserted in the monochromatic beams provide focusing in the vertical plane. The first side station is under commissioning, and a preliminary test protein data set has been collected.

  11. Borehole SASW testing to evaluate log(G{sub max}) - log({sigma}{prime}) relationships in situ

    SciTech Connect (OSTI)

    Kalinski, M.E.; Stokoe, K.H. II; Young, Y.L.; Roesset, J.M.

    1999-07-01

    A new method is being developed for the in-situ measurement of shear wave velocity, V{sub s}, in the soil surrounding a borehole. The method involves the measurement of axially propagating surface waves inside an uncased borehole using the Spectral-Analysis-of-Surface-Waves (SASW) approach. Testing if performed with instrumentation housed inside an inflatable tool. Inflation pressures applied by the tool are used to vary radial stresses in the soil surrounding the borehole. Surface wave velocities over a range of frequencies are measured at each inflation pressure. These measurements are then theoretically modeled so that the variation in V{sub s} (an hence small-strain shear module, G{sub max}) with distance behind the borehole wall is determined at each pressure. The results of field tests with the borehole SASW tool at two sites composed of unsaturated clayey soil are presented. These results are compared with independent field seismic measurements and with laboratory tests on intact specimens using the torsional resonant column to assess the validity of the new field method.

  12. PATRAM '80. Proceedings. Volume 2

    SciTech Connect (OSTI)

    Huebner, H.W. (ed.)

    1980-01-01

    Volume 2 contains papers from the following sessions: Safeguards-Related Problems; Neutronics and Criticality; Operations and Systems Experience II; Plutonium Systems; Intermediate Storage in Casks; Operations and Systems Planning; Institutional Issues; Structural and Thermal Evaluation I; Poster Session B; Extended Testing I; Structural and Thermal Evaluation II; Extended Testing II; and Emergency Preparedness and Response. Individual papers were processed. (LM)

  13. PATRAM '80. Proceedings. Volume 1

    SciTech Connect (OSTI)

    Huebner, H.W.

    1980-01-01

    Volume 1 contains papers from the following sessions: Plenary Session; Regulations, Licensing and Standards; LMFBR Systems Concepts; Risk/Safety Assessment I; Systems and Package Design; US Institutional Issues; Risk/Safety Assessment II; Leakage, Leak Rate and Seals; Poster Session A; Operations and Systems Experience I; Manufacturing Processes and Materials; and Quality Assurance and Maintenance. Individual papers were processed. (LM)

  14. Neuron, Volume 78 Supplemental Information

    E-Print Network [OSTI]

    Gentner, Timothy

    Neuron, Volume 78 Supplemental Information Associative Learning Enhances Population Coding colored dot denotes the mean response for two neurons to each of four stimuli. Each colored ellipse) For a positive relationship, neuron pairs with positive signal correlation and large noise correlation have

  15. What is Tandem affinity purification (TAP)? "Erwin Schrdinger Prize 2008 Goes to Researchers at the Max Delbrck Center First Map Showing Human Protein

    E-Print Network [OSTI]

    Skop, Ahna

    to Researchers at the Max Delbrück Center First Map Showing Human Protein Interactions. N.p., n.d. Web. 11 Apr. 2015. "Dystrophin and Duchenne Muscular Dystrophy." Protein-protein Interactions -. N.p., n.d. Web. 11 and Their Importance. EMBL-EBI, n.d. Web. 14 Apr. 2015. #12;3 How can you identify interacting proteins? #12;4 What

  16. Proposed Southline Transmission Line Project - Volume 3 of 4...

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

    Right-of-Way ... G-1 11 12 13 VOLUME SUMMARY 14 15 Volume 1 - Executive Summary, Chapters 1, 2, and 3 16 Volume 2 -...

  17. High-Temperature-High-Volume Lifting for Enhanced Geothermal...

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

    High-Temperature-High-Volume Lifting for Enhanced Geothermal Systems High-Temperature-High-Volume Lifting for Enhanced Geothermal Systems High-Temperature-High-Volume Lifting for...

  18. Mass and the creation of spatial volume

    E-Print Network [OSTI]

    C. L. Herzenberg

    2011-05-13

    The distortion of space by the presence of mass in general relativity appears to be capable of increasing three dimensional spatial volume. We examine excess volume effects associated with an isolated mass described by the Schwarzschild solution to the field equations. Fractional differential excess spatial volume in the vicinity of a mass is shown to be a direct measure of gravitational potential which can be easily visualized. The total amount of excess spatial volume associated with an isolated mass is evaluated and shown to be appreciable. Summing over the excess spatial volume contributions from individual masses present throughout the universe leads to an overall excess spatial volume comparable in magnitude to the volume of the observable universe. Interpretations of these results are discussed, including the possibility that this excess volume might contribute to clarifying the issue of missing matter in the contemporary universe. Alternatively, it is proposed speculatively that mass, rather than simply distorting preexisting space, might actually create it.

  19. Site Environmental Report for 2005 Volume I and Volume II

    SciTech Connect (OSTI)

    Ruggieri, Michael

    2006-07-07

    Each year, Ernest Orlando Lawrence Berkeley National Laboratory prepares an integrated report on its environmental programs to satisfy the requirements of United States Department of Energy Order 231.1A, ''Environment, Safety, and Health Reporting''. The ''Site Environmental Report for 2005'' summarizes Berkeley Lab's environmental management performance, presents environmental monitoring results, and describes significant programs for calendar year 2005. (Throughout this report, Ernest Orlando Lawrence Berkeley National Laboratory is referred to as ''Berkeley Lab'', ''the Laboratory'', ''Lawrence Berkeley National Laboratory'', and ''LBNL''.) The report is separated into two volumes. Volume I contains an overview of the Laboratory, the status of environmental programs, and summarized results from surveillance and monitoring activities. This year's Volume I text body is organized into an executive summary followed by six chapters. The report's structure has been reorganized this year, and it now includes a chapter devoted to environmental management system topics. Volume II contains individual data results from surveillance and monitoring activities. The ''Site Environmental Report'' is distributed by releasing it on the Web from the Berkeley Lab Environmental Services Group (ESG) home page, which is located at http://www.lbl.gov/ehs/esg/. Many of the documents cited in this report also are accessible from the ESG Web page. CD and printed copies of this Site Environmental Report are available upon request. The report follows the Laboratory's policy of using the International System of Units (SI), also known as the metric system of measurements. Whenever possible, results are also reported using the more conventional (non-SI) system of measurements, because the non-SI system is referenced by several current regulatory standards and is more familiar to some readers. Two tables are provided at the end of the Glossary to help readers: the first defines the prefixes used with SI units of measurement, and the second provides conversions to non-SI units.

  20. OMAE 1993: Proceedings. Volume 5: Pipeline technology

    SciTech Connect (OSTI)

    Yoon, M.; Murray, A.; Thygesen, J.

    1993-01-01

    This volume of conference proceedings is volume five of a five volume series dealing with offshore and arctic pipeline, marine riser, platforms, and ship design and engineering. This volume is a result of increased use of pipeline transportation for oil, gas, and liquid products and the resultant need for lower design and operating costs. Papers in this conference cover topics on environmental considerations, pipeline automation, computer simulation techniques, materials testing, corrosion protection, permafrost problems, pipeline integrity, geotechnical concerns, and offshore engineering problems.

  1. MACHINE CONTEST MACHINE VOLUME WORKSHEET

    E-Print Network [OSTI]

    Giles, C. Lee

    MACHINE CONTEST® MACHINE VOLUME WORKSHEET Note: Each square is 1' x 1' (0.3 m x 0.3 m) (Official the footprint of your machine NOTE: If any part of the machine falls within a square, you must count the entire: _______________ (choose one: ft2 or m2 ) STEP 3: Measure the height of your machine. NOTE: The maximum height is 8' (2.4 m

  2. Scuttlebutt Volume 2, No. 3 

    E-Print Network [OSTI]

    2008-01-01

    else for an award, at any time. These awards are as follows: CADET INITIAL ENTRY TRAINING AWARD The Cadet Initial Entry Training Award is awarded, automatically, to any Cadet who completes Cadet Advanced Marine Basic Training (PD-7) at the SFMCA... / June 2008 Volume 2, Issue 3 In This Issue * The Drake Equation: Are we alone? * Ethel, The Aardvark! * Latest profile from the RPG * Recipes and Filksongs * The 2007 RAAF Air Show! * Revisiting the Big Bang * Update on the Southern Cross...

  3. Petroleum supply annual 1994. Volume 1

    SciTech Connect (OSTI)

    1995-05-22

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1994 through annual and monthly surveys. The PSA is divided into two volumes. This first volume contains four sections: Summary Statistics, Detailed Statistics, Refinery Capacity, and Oxygenate Capacity each with final annual data. The second volume contains final statistics for each month of 1994, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. Below is a description of each section in Volume 1 of the PSA.

  4. Petroleum supply annual 1993. Volume 1

    SciTech Connect (OSTI)

    Not Available

    1994-06-01

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1993 through annual and monthly surveys. The PSA is divided into two volumes. This first volume contains four sections: Summary Statistics, Detailed Statistics, Refinery Capacity, and Oxygenate Capacity each with final annual data. The second volume contains final statistics for each month of 1993, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. Below is a description of each section in Volume 1 of the PSA.

  5. Publications Max J. Egenhofer

    E-Print Network [OSTI]

    Egenhofer, Max J.

    , Environment and Urban Systems (CEUS) Cartography and Geographic Information Science (CaGIS) #12;URISA Journal for Geographical Information Science (IJGIS) GeoInformatica Spatial Cognition and Computation Journal of Geographical Systems Transactions in GIS Computers, Environment and Urban Systems (CEUS) URISA Journal #12;Most

  6. Max, Min, Sup, Inf

    E-Print Network [OSTI]

    2007-01-09

    Looking at the graph, it is clear that f(x) ? 1 for all x in the domain of f. Furthermore, 1 is the smallest number which is greater than all of f's values. o y=(

  7. Summary Max Total Units

    Energy Savers [EERE]

    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 QA:QA J-E-1 SECTION J APPENDIX E LIST OF APPLICABLEStatutory Authority for anStudy: Algae CouldSubstanceRaineyS

  8. Volumes

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

    ... 58.0 58.2 - 431.5 170.7 602.2 723.8 730.9 - 4,244.1 3,422.1 7,666.2 June ... 60.4 61.0 - 446.3 179.6 625.9 741.9...

  9. Volumes

    Gasoline and Diesel Fuel Update (EIA)

    1,164.4 - 1,318.7 May ... 5,320.5 5,340.4 734.7 17,422.1 15,932.2 34,089.0 939.0 940.1 144.7 1,164.2 - 1,308.9 June ......

  10. Volumes

    Gasoline and Diesel Fuel Update (EIA)

    ... 41,268.8 42,625.5 45,805.9 149,527.7 33,070.0 228,403.6 9,430.0 9,584.6 W 15,546.1 W 25,812.2 November ... 40,285.0...

  11. Volumes

    Gasoline and Diesel Fuel Update (EIA)

    2,696.9 2,783.7 4,178.3 6,124.5 - 10,302.8 March ... 10,403.5 10,958.8 15,954.5 42,392.8 4,077.7 62,425.0 2,770.3 2,856.5 4,115.2 6,256.5 -...

  12. Volumes

    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 Page on Google Bookmark0","AK",2010,1,5889.296,25346.726,30607,7768.547,32303.665,10842,1432.777,7587.714,510,0,0,0,15090.62,65238.105,419595.69Reserves (Billion6,809

  13. Volumes

    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 Page on Google Bookmark0","AK",2010,1,5889.296,25346.726,30607,7768.547,32303.665,10842,1432.777,7587.714,510,0,0,0,15090.62,65238.105,419595.69Reserves (Billion6,8098,415.8

  14. Volumes

    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 Page on Google Bookmark0","AK",2010,1,5889.296,25346.726,30607,7768.547,32303.665,10842,1432.777,7587.714,510,0,0,0,15090.62,65238.105,419595.69Reserves

  15. Volumes

    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 Page on Google Bookmark0","AK",2010,1,5889.296,25346.726,30607,7768.547,32303.665,10842,1432.777,7587.714,510,0,0,0,15090.62,65238.105,419595.69Reserves3,357.9 44,491.4 47,621.3

  16. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E x p8,

  17. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E x

  18. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E x0,

  19. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E x0,9,

  20. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E x0,9,3

  1. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E x0,9,36

  2. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E

  3. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS E8,

  4. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS

  5. VOLUME

    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-effectWorking WithTelecentric viewing system forPortal.1 - MarchVISTAS18 P H Y S

  6. Scuttlebutt Volume 2, No. 2 

    E-Print Network [OSTI]

    2008-01-01

    issue is to come out. 2nd Quarter Issue Table of Contents 1. Souvenir Cover 3. From The Bridge 4. The Editor's Corner 5. The X/O's Desk 6. Club 360 Operations 5. Ship's Muster Ship's Services 7. RPG Corner: Character Spotlight 10... to matchmaking and leaderboards for the latest in tracking, Call of Duty 4: Modern Warfare's multiplayer is set to deliver easily accessible and addictive online play for all. 7The ScuttleButt Volume 2, Issue 2 RPG Corner: Character Spotlight The Southern...

  7. Environmental Report 1995. Volume 1

    SciTech Connect (OSTI)

    Harrach, R.J.; Failor, R.A.; Gallegos, G.M. [and others

    1996-09-01

    This report contains the results of Lawrence Livermore National Laboratory`s (LLNL) environmental monitoring and compliance effort and an assessment of the impact of LLNL operations on the environment and the public. This first volume describes LLNL`s environmental impact and compliance activities and features descriptive and explanatory text, summary data tables, and plots showing data trends. The summary data include measures of the center of data, their spread or variability, and their extreme values. Chapters on monitoring air, sewage, surface water, ground water, soil and sediment, vegetation and foodstuff, and environmental radiation are present.

  8. Solar Fundamentals Volume 1: Technology

    Broader source: Energy.gov [DOE]

    This report is one component of a multi-part series publication to assist in educating th'se seeking to become more familiar with the solar industry. This volume introduces solar technologies, explaining each technology’s applications, the components that make up a photovoltaic system, and how they can be used to optimize energy generation. This report explains solar insolation and how it impacts energy generation in illustrating where solar energy is a viable option. A final section highlights important considerations in solar project siting to maximize system production and avoid unexpected project development challenges.

  9. 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)

  10. Analysis of an implantable lactate sensor mathematical modeling of sensor response

    E-Print Network [OSTI]

    Wang, Will (Wei)

    2008-01-01

    expression V max maximum reaction velocity per unit volume zV max is the maximal reaction velocity per unit volume, K L

  11. Volume efficient sodium sulfur battery

    DOE Patents [OSTI]

    Mikkor, Mati (Ann Arbor, MI)

    1980-01-01

    In accordance with the teachings of this specification, a sodium sulfur battery is formed as follows. A plurality of box shaped sulfur electrodes are provided, the outer surfaces of which are defined by an electrolyte material. Each of the electrodes have length and width dimensions substantially greater than the thicknesses thereof as well as upwardly facing surface and a downwardly facing surface. An electrode structure is contained in each of the sulfur electrodes. A holding structure is provided for holding the plurality of sulfur electrodes in a stacked condition with the upwardly facing surface of one sulfur electrode in facing relationship to the downwardly facing surface of another sulfur electrode thereabove. A small thickness dimension separates each of the stacked electrodes thereby defining between each pair of sulfur electrodes a volume which receives the sodium reactant. A reservoir is provided for containing sodium. A manifold structure interconnects the volumes between the sulfur electrodes and the reservoir. A metering structure controls the flow of sodium between the reservoir and the manifold structure.

  12. A distributed computing environment for volume visualization 

    E-Print Network [OSTI]

    Barua, Sandip Pannalal

    1992-01-01

    in computer-aided instruction, and can be expected to be widely used in medical classrooms in the near future. Figure Remot W kststloos High Bandwidth I Li& I I I I I High Performance Computer Fig. 2. A real-time multi-user environment 2 could... Page Volume Rendering Time 48 Normalized and Processor Performance Compensated Volume Ren- dering Time 49 III Computation Overhead - Ray Trace Phase 51 IV Computation Overhead - Volume Build Phase . 51 CHAPTER I INTRODUCTION I. A Scientific...

  13. Petroleum supply annual 1995: Volume 1

    SciTech Connect (OSTI)

    1996-05-01

    The {ital Petroleum Supply Annual} contains information on supply and disposition of crude oil and petroleum products. It reflects data collected from the petroleum industry during 1995 through monthly surveys, and it is divided into 2 volumes. This volume contains three sections: summary statistics, detailed statistics, and selected refinery statistics, each with final annual data. (The other volume contains final statistics for each month and replaces data previously published in the {ital Petroleum Supply Monthly}).

  14. Petroleum supply annual, 1997. Volume 1

    SciTech Connect (OSTI)

    1998-06-01

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1997 through annual and monthly surveys. The PSA is divided into two volumes. This first volume contains three sections: Summary Statistics, Detailed Statistics, and Refinery Statistics; each with final annual data. The second volume contains final statistics for each month of 1997, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. 16 figs., 48 tabs.

  15. International Linear Collider Technical Design Report - Volume...

    Office of Scientific and Technical Information (OSTI)

    Linear Collider Technical Design Report - Volume 2: Physics Baer, Howard; Barklow, Tim; Fujii, Keisuke; Gao, Yuanning; Hoang, Andre; Kanemura, Shinya; List, Jenny; Logan, Heather...

  16. Site Environmental Report for 2008, Volume II

    E-Print Network [OSTI]

    Lackner, Regina

    2009-01-01

    the "RW-1 • Site Environmental Report for 2008RW CR SW SE FT SO Volume I Section A-1 Page A-2 • Site Environmental Report

  17. Optimization Online - Multimaterial topology optimization by volume ...

    E-Print Network [OSTI]

    R Tavakoli

    2013-11-14

    Nov 14, 2013 ... ... by the multiphase volume constrained Cahn-Hilliard energy functional. ... The success and efficiency of the presented method are shown ...

  18. International Linear Collider Technical Design Report - Volume...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: International Linear Collider Technical Design Report - Volume 2: Physics Citation Details In-Document Search Title: International Linear Collider Technical...

  19. Automatic volume control for auditory interfaces

    E-Print Network [OSTI]

    Brewster, S.A.

    Brewster,S.A. Crossan,A. Crease,M.C. Volume II Proceedings of BCS HCI 2000 (Sunderland, UK) pp 17-18 Academic Press

  20. Petroleum supply annual 1998: Volume 1

    SciTech Connect (OSTI)

    1999-06-01

    The ``Petroleum Supply Annual`` (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1998 through annual and monthly surveys. The PSA is divided into two volumes. This first volume contains three sections: Summary Statistics, Detailed Statistics, and Refinery Statistics; each with final annual data. The second volume contains final statistics for each month of 1998, and replaces data previously published in the PSA. The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. 16 figs., 59 tabs.

  1. Final environmental information volume for the coke oven gas cleaning project at the Bethlehem Steel Corporation Sparrows Point Plant

    SciTech Connect (OSTI)

    Not Available

    1990-04-24

    Bethelehem Steel Corporation (BSC) is planning to conduct a demonstration project involving an integrated system that can be retrofitted into coke oven gas handling systems to address a variety of environmental and operational factors in a more cost-effective manner. Successful application of this technology to existing US coke plants could: (1) reduce emissions of sulfur dioxide, cyanide, and volatile organic compounds (including benzene) (2) reduce the cost and handling of processing feed chemicals, (3) disposal costs of nuisance by-products and (4) increase reliability and reduce operation/maintenance requirements for coke oven gas desulfurization systems. The proposed system will remove sulfur from the coke oven gas in the form of hydrogen sulfide using the ammonia indigenous to the gas as the primary reactive chemical. Ammonia and hydrogen cyanide are also removed in this process. The hydrogen sulfide removed from the coke oven gas in routed to a modified Claus plant for conversion to a saleable sulfur by-product. Ammonia and hydrogen cyanide will be catalytically converted to hydrogen, nitrogen, carbon dioxide, and carbon monoxide. The tail gas from the sulfur recovery unit is recycled to the coke oven gas stream, upstream of the new gas cleaning system. The proposed demonstration project will be installed at the existing coke oven facilities at BSC's Sparrows Point Plant. This volume describes the proposed actions and the resulting environmental impacts. 21 refs., 19 figs., 9 tabs.

  2. Ironmaking conference proceedings. Volume 54

    SciTech Connect (OSTI)

    NONE

    1995-12-01

    The technical presentations at this conference displayed a renewed sense of viability of the coke and ironmaking community. In addition, many of the papers show that the environmental aspects of ironmaking are being integrated into day-to-day operations rather than being thought of as separate responsibilities. This volume contains 68 papers divided into the following sections: Blast furnace injection; Blast furnace fundamental studies; Blast furnace general; Blast furnace repairs/rebuilds/modernization; Process control techniques for blast furnaces; Cokemaking general; Cokemaking environmental; Coke--by-products--plant operations; Coal and coke research; Battery operations; Pelletizing; Direct reduction and smelting; and Sintering. Most of the papers have been processed separately for inclusion on the data base.

  3. Fundamental Kinetics Database Utilizing Shock Tube Measurements (Volumes 1, 2, 3, 4, and Volume 6)

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

    Davidson, D. F.; Hanson, R. K

    The data from shock tube experiments generally takes three forms: ignition delay times, species concentration time-histories and reaction rate measurements. Volume 1 focuses on ignition delay time data measured and published by the Shock Tube Group in the Mechanical Engineering Department of Stanford University. The cut-off date for inclusion into this volume was January 2005. Volume 2 focuses on species concentration time-histories and was cut off December 2005. The two volumes are in PDF format and are accompanied by a zipped file of supporting data. Volume 3 was issued in 2009. Volume 4, Ignition delay times measurements came out in May, 2014, along with Reaction Rates Measurements, Vol 6. Volume 5 is not available at this time.

  4. OPTIMUM DUCT DESIGN FOR VARIABLE AIR VOLUME SYSTEMS

    E-Print Network [OSTI]

    OPTIMUM DUCT DESIGN FOR VARIABLE AIR VOLUME SYSTEMS By TAECHEOL KIM Master of Science Oklahoma May, 2001 #12;ii OPTIMUM DUCT DESIGN FOR VARIABLE AIR VOLUME SYSTEMS Thesis Approved Volume Systems ............................................. 5 1.2.2. Duct Design Methods

  5. Ablation Casting Evaluation for High Volume Structural Castings...

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

    Ablation Casting Evaluation for High Volume Structural Castings Ablation Casting Evaluation for High Volume Structural Castings 2012 DOE Hydrogen and Fuel Cells Program and Vehicle...

  6. State Energy-Efficient Appliance Rebate Program: Volume 1 - Program...

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

    State Energy-Efficient Appliance Rebate Program: Volume 1 - Program Design Lessons Learned State Energy-Efficient Appliance Rebate Program: Volume 1 - Program Design Lessons...

  7. State Energy-Efficient Appliance Rebate Program: Volume 2 - Program...

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

    State Energy-Efficient Appliance Rebate Program: Volume 2 - Program Results State Energy-Efficient Appliance Rebate Program: Volume 2 - Program Results View the report State...

  8. Energy Department Authorizes Additional Volume at Proposed Freeport...

    Energy Savers [EERE]

    Additional Volume at Proposed Freeport LNG Facility to Export Liquefied Natural Gas Energy Department Authorizes Additional Volume at Proposed Freeport LNG Facility to Export...

  9. Promising Technology: Variable-Air-Volume Ventilation System

    Broader source: Energy.gov [DOE]

    Variable-air-volume (VAV) ventilation saves energy compared to a constant-air-volume (CAV) ventilation system, mainly by reducing energy consumption associated with fans.

  10. 50-nm E-mode In[subscript 0.7]Ga[subscript 0.3]As PHEMTs on 100-mm InP substrate with f[subscript max] > 1 THz

    E-Print Network [OSTI]

    del Alamo, Jesus A.

    We have demonstrated 50-nm enhancement-mode (E-mode) In[subscript 0.7]Ga[subscript 0.3]As PHEMTs with f[subscript max] in excess of 1 THz. The devices feature a Pt gate sinking process to effectively thin down the In[subscript ...

  11. 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

  12. Volume III, Chapter 3 Pacific Lamprey

    E-Print Network [OSTI]

    Volume III, Chapter 3 Pacific Lamprey #12;TABLE OF CONTENTS 3.0 Pacific Lamprey (Lampetra................................................................................................... 3-9 3.4.3 Water Development ......................................................................... 3-11 3.4.6 Water Quality

  13. Volume III, Chapter 9 Channel Catfish

    E-Print Network [OSTI]

    Volume III, Chapter 9 Channel Catfish #12;TABLE OF CONTENTS 9.0 Channel Catfish (Ictalurus................................................................................................... 9-6 9.4.3 Water Development.............................................................................................. 9-6 9.4.4 Water Quality

  14. Infinite volume limit for the dipole gas

    E-Print Network [OSTI]

    J. Dimock

    2009-04-28

    We consider a classical dipole gas in with low activity and show that the pressure has a limit as the volume goes to infinity. The result is obtained by a renormalization group analysis of the model.

  15. Site Environmental Report for 1999 - Volume II

    SciTech Connect (OSTI)

    Ruggieri, M.

    2000-08-01

    Each year, Ernest Orlando Lawrence Berkeley National Laboratory prepares an integrated report on its environmental programs to satisfy the requirements of United States Department of Energy Order 231.1. The Site Environmental Report for 1999 is intended to summarize Berkeley Lab's compliance with environmental standards and requirements, characterize environmental management efforts through surveillance and monitoring activities, and highlight significant programs and efforts for calendar year 1999. The report is separated into two volumes. Volume I contains a general overview of the Laboratory, the status of environmental programs, and summary results from surveillance and monitoring activities. Each chapter in Volume I begins with an outline of the sections that follow, including any tables or figures found in the chapter. Readers should use section numbers (e.g., {section}1.5) as navigational tools to find topics of interest in either the printed or the electronic version of the report. Volume II contains the individual data results from monitoring programs.

  16. Petroleum supply annual 1995: Volume 2

    SciTech Connect (OSTI)

    1996-06-01

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1995 through monthly surveys. The PSA is divided into two volumes. This first volume contains three sections: Summary Statistics, Detailed Statistics, and selected Refinery Statistics each with final annual data. The second volume contains final statistics for each month of 1995, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. Explanatory Notes, located at the end of this publication, present information describing data collection, sources, estimation methodology, data quality control procedures, modifications to reporting requirements and interpretation of tables. Industry terminology and product definitions are listed alphabetically in the Glossary.

  17. Petroleum supply annual 1994, Volume 2

    SciTech Connect (OSTI)

    1995-06-01

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1994 through annual and monthly surveys. The PSA is divided into two volumes. This first volume contains four sections: Summary Statistics, Detailed Statistics, Refinery Capacity, and Oxygenate Capacity each with final annual data. The second volume contains final statistics for each month of 1994, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. Explanatory Notes, located at the end of this publication, present information describing data collection, sources, estimation methodology, data quality control procedures, modifications to reporting requirements and interpretation of tables. Industry terminology and product definitions are listed alphabetically in the Glossary.

  18. Petroleum supply annual, 1997. Volume 2

    SciTech Connect (OSTI)

    1998-06-01

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1997 through monthly surveys. The PSA is divided into two volumes. The first volume contains three sections: Summary Statistics, Detailed Statistics, and Refinery Statistics; each with final annual data. The second volume contains final statistics for each month of 1997, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. Explanatory Notes, located at the end of this publication, present information describing data collection, sources, estimation methodology, data quality control procedures, modifications to reporting requirements and interpretation of tables. Industry terminology and product definitions are listed alphabetically in the Glossary. 35 tabs.

  19. Site Environmental Report for 2009, Volume 2

    E-Print Network [OSTI]

    Xu, Suying

    2010-01-01

    the "RW-1 • Site Environmental Report for 2009the "RW-2 • Site Environmental Report for 2009RW CR SW SE FT SO SD VT Volume I Section A-1 Page A-2 • Site Environmental Report

  20. Molecular Cell, Volume 28 Supplemental Data

    E-Print Network [OSTI]

    Chowdhury, Arindam

    Molecular Cell, Volume 28 Supplemental Data Dynamic Basis for One-Dimensional DNA Scanning R. Reichman, Eric Alani, and Eric C. Greene Supplemental Discussion Comparison of TIRFM with Other

  1. Photoexcitation of a Volume Plasmon in Buckyballs

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

    designed to study the interaction of ions and photons, Scully et al. have found that the geodesic-dome structure of buckyballs makes possible volume plasmons-which exhibit not the...

  2. Volume 64, Issues 3&4 (Complete) 

    E-Print Network [OSTI]

    Dickson, Donald

    2006-01-01

    and ecclesiological issues under discussion. The keystones of his volume, however, are the letters of Dudley Carleton (the English ambassador in the Netherlands), the letters of George Carleton, Bishop of Llandaff (the senior British delegate), and extracts from...

  3. Segmentation strategies for polymerized volume data sets 

    E-Print Network [OSTI]

    Doddapaneni, Venkata Purna

    2006-04-12

    A new technique, called the polymerization algorithm, is described for the hierarchical segmentation of polymerized volume data sets (PVDS) using the Lblock data structure. The Lblock data structure is defined as a ...

  4. Variable volume architecture : expanding the boundary

    E-Print Network [OSTI]

    Saheba, Asheshh (Asheshh Mohit), 1972-

    2001-01-01

    Research into the creation of a Variable Volume Architecture is explored through a series of proposals and projects. An argument is established to develop the means and methods of achieving an architecture of transformation. ...

  5. Petroleum supply annual 1998: Volume 2

    SciTech Connect (OSTI)

    1999-06-01

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1998 through monthly surveys. The PSA is divided into two volumes. The first volume contains three sections: Summary Statistics, Detailed Statistics, and Refinery Statistics; each with final annual data. This second volume contains final statistics for each month of 1998, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. Explanatory Notes, located at the end of this publication, present information describing data collection, sources, estimation methodology, data quality control procedures, modifications to reporting requirements and interpretation of tables. Industry terminology and product definitions are listed alphabetically in the Glossary. 35 tabs.

  6. Petroleum supply annual 1996: Volume 2

    SciTech Connect (OSTI)

    1997-06-01

    The Petroleum Supply Annual (PSA) contains information on the supply and disposition of crude oil and petroleum products. The publication reflects data that were collected from the petroleum industry during 1996 through monthly surveys. The PSA is divided into two volumes. The first volume contains three sections: Summary Statistics, Detailed Statistics, and Refinery Capacity; each with final annual data. The second volume contains final statistics for each month of 1996, and replaces data previously published in the Petroleum Supply Monthly (PSM). The tables in Volumes 1 and 2 are similarly numbered to facilitate comparison between them. Explanatory Notes, located at the end of this publication, present information describing data collection, sources, estimation methodology, data quality control procedures, modifications to reporting requirements and interpretation of tables. Industry terminology and product definitions are listed alphabetically in the Glossary. 35 tabs.

  7. Method of measuring a liquid pool volume

    DOE Patents [OSTI]

    Garcia, Gabe V. (Las Cruces, NM); Carlson, Nancy M. (Idaho Falls, ID); Donaldson, Alan D. (Idaho Falls, ID)

    1991-01-01

    A method of measuring a molten metal liquid pool volume and in particular molten titanium liquid pools, including the steps of (a) generating an ultrasonic wave at the surface of the molten metal liquid pool, (b) shining a light on the surface of a molten metal liquid pool, (c) detecting a change in the frequency of light, (d) detecting an ultrasonic wave echo at the surface of the molten metal liquid pool, and (e) computing the volume of the molten metal liquid.

  8. Volume dependences from lattice chiral perturbation theory

    E-Print Network [OSTI]

    B. Borasoy; R. Lewis

    2005-01-22

    The physics of pions within a finite volume is explored using lattice regularized chiral perturbation theory. This regularization scheme permits a straightforward computational approach to be used in place of analytical continuum techniques. Using the pion mass, decay constant, form factor and charge radius as examples, it is shown how numerical results for volume dependences are obtained at the one-loop level from simple summations.

  9. VOLUME 80, NUMBER 20 P H Y S I C A L R E V I E W L E T T E R S 18 MAY 1998 Long-Range Time Correlations in Plasma Edge Turbulence

    E-Print Network [OSTI]

    van Milligen, Boudewijn

    Euratom-Ciemat, 28040 Madrid, Spain 3 Max-Planck-Institut für Plasmaphysik, Euratom Association, 85740

  10. 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.

  11. Uranium in US surface, ground, and domestic waters. Volume 2

    SciTech Connect (OSTI)

    Drury, J.S.; Reynolds, S.; Owen, P.T.; Ross, R.H.; Ensminger, J.T.

    1981-04-01

    The report Uranium in US Surface, Ground, and Domestic Waters comprises four volumes. Volumes 2, 3, and 4 contain data characterizing the location, sampling date, type, use, and uranium conentrations of 89,994 individual samples presented in tabular form. The tabular data in volumes 2, 3, and 4 are summarized in volume 1 in narrative form and with maps and histograms.

  12. Bulletin of Tibetology: Volume 20 Number 1 : Full issue

    E-Print Network [OSTI]

    Namgyal Institute of Tibetology

    . 2. Alphabetum Tibetanum of Giorgi. 3. Bible in English; New Testament in Samkrit; St. Matthew's Gospel in Bengali; Gpamphlets. 5. Journal Asiatic SocietY,.9 volumes... ; Asiatic Researcht:s, tW('ntieth volume, Part I; foreign books, 6 volumes. Tibetan Grammar; Mahabharata, 4 volumes; Raja Tarallgini; Susrita; Naishada Charita; four Bengali pamphlets. I . Grammars and dictionaries - English Grammar and Exercises...

  13. Latin American Theatre Review, Volume 12, Number 2: Back Matter

    E-Print Network [OSTI]

    1979-04-01

    —The Pennsylvania State University George Woodyard—University of Kansas 3 Volumes: Volume I Rodolfo Usigli: Corona de sombra Osvaldo Dragún: El amasijo José Triana: La noche de los asesinos Volume II Xavier Villaurrutia: Invitación a la muerte Egon Wolíí...: Flores de papel Griselda Gámbaro: Los siameses Volume III Rene Marqués: Los soles truncos Jorge Díaz: El cepillo de dientes Emilio Carballido: Yo también hablo de la rosa Approximate price per volume—$4.50 US READY FOR CLASSES—SEPTEMBER 1979 GIROL...

  14. Architectures of Test Automation 1 High Volume Test AutomationHigh Volume Test Automation

    E-Print Network [OSTI]

    Architectures of Test Automation 1 High Volume Test AutomationHigh Volume Test Automation Cem Kaner Institute of Technology October 2003 #12;Architectures of Test Automation 2 Acknowledgements developed a course on test automation architecture, and in the Los Altos Workshops on Software Testing

  15. Application of Volume diffraction grating for TeraHertz lasing in Volume FEL (VFEL)

    E-Print Network [OSTI]

    V. G. Baryshevsky; K. G. Batrakov; V. I. Stolyarsky

    2002-09-06

    The generation of induced radiation in volume resonator formed by metal threads is considered. It is shown that using of such volume diffraction grating allows increasing of lasing efficiency in terahertz range. The requirements on beam and grating parameters are obtained.

  16. 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.

  17. Site Environmental Report for 2002, Volume 2

    SciTech Connect (OSTI)

    Pauer, Ron

    2003-07-01

    Each year, Ernest Orlando Lawrence Berkeley National Laboratory prepares an integrated report on its environmental programs to satisfy the requirements of United States Department of Energy Order 231.1. The ''Site Environmental Report for 2002'' summarizes Berkeley Lab's compliance with environmental standards and requirements, characterizes environmental management efforts through surveillance and monitoring activities, and highlights significant programs and efforts for calendar year 2002. Throughout this report, Ernest Orlando Lawrence Berkeley National Laboratory is referred to as ''Berkeley Lab,'' ''the Laboratory,'' ''Lawrence Berkeley National Laboratory,'' and ''LBNL.'' The report is separated into two volumes. Volume I contains a general overview of the Laboratory, the status of environmental programs, and summarized results from surveillance and monitoring activities. Volume II contains individual data results from the monitoring programs. This year, the ''Site Environmental Report'' was distributed on a CD in PDF format that includes Volume I, Volume II, and related documents. The report is also available on the Web at http://www.lbl.gov/ehs/esg/. The report follows the Laboratory's policy of using the International System of Units (SI), also known as the metric system of measurements. Whenever possible, results are additionally reported using the more conventional (non-SI) system of measurements because this system is referenced by some current regulatory standards and is more familiar to some readers. The tables included at the end of the Glossary are intended to help readers understand the various prefixes used with SI units of measurement and convert these units from one system to the other.

  18. Spent Fuel Working Group Report. Volume 1

    SciTech Connect (OSTI)

    O`Toole, T.

    1993-11-01

    The Department of Energy is storing large amounts of spent nuclear fuel and other reactor irradiated nuclear materials (herein referred to as RINM). In the past, the Department reprocessed RINM to recover plutonium, tritium, and other isotopes. However, the Department has ceased or is phasing out reprocessing operations. As a consequence, Department facilities designed, constructed, and operated to store RINM for relatively short periods of time now store RINM, pending decisions on the disposition of these materials. The extended use of the facilities, combined with their known degradation and that of their stored materials, has led to uncertainties about safety. To ensure that extended storage is safe (i.e., that protection exists for workers, the public, and the environment), the conditions of these storage facilities had to be assessed. The compelling need for such an assessment led to the Secretary`s initiative on spent fuel, which is the subject of this report. This report comprises three volumes: Volume I; Summary Results of the Spent Fuel Working Group Evaluation; Volume II, Working Group Assessment Team Reports and Protocol; Volume III; Operating Contractor Site Team Reports. This volume presents the overall results of the Working Group`s Evaluation. The group assessed 66 facilities spread across 11 sites. It identified: (1) facilities that should be considered for priority attention. (2) programmatic issues to be considered in decision making about interim storage plans and (3) specific vulnerabilities for some of these facilities.

  19. Site Environmental Report for 2002, Volume 1

    SciTech Connect (OSTI)

    Pauer, Ron

    2003-07-01

    Each year, Ernest Orlando Lawrence Berkeley National Laboratory prepares an integrated report on its environmental programs to satisfy the requirements of United States Department of Energy Order 231.1. The ''Site Environmental Report for 2002'' summarizes Berkeley Lab's compliance with environmental standards and requirements, characterizes environmental management efforts through surveillance and monitoring activities, and highlights significant programs and efforts for calendar year 2002. Throughout this report, Ernest Orlando Lawrence Berkeley National Laboratory is referred to as ''Berkeley Lab,'' ''the Laboratory,'' ''Lawrence Berkeley National Laboratory,'' and ''LBNL.'' The report is separated into two volumes. Volume I contains a general overview of the Laboratory, the status of environmental programs, and summarized results from surveillance and monitoring activities. Volume II contains individual data results from the monitoring programs. This year, the ''Site Environmental Report'' was distributed on a CD in PDF format that includes Volume I, Volume II, and related documents. The report is also available on the Web at http://www.lbl.gov/ehs/esg/. The report follows the Laboratory's policy of using the International System of Units (SI), also known as the metric system of measurements. Whenever possible, results are additionally reported using the more conventional (non-SI) system of measurements because this system is referenced by some current regulatory standards and is more familiar to some readers. The tables included at the end of the Glossary are intended to help readers understand the various prefixes used with SI units of measurement and convert these units from one system to the other.

  20. Time varying, multivariate volume data reduction

    SciTech Connect (OSTI)

    Ahrens, James P; Fout, Nathaniel; Ma, Kwan - Liu

    2010-01-01

    Large-scale supercomputing is revolutionizing the way science is conducted. A growing challenge, however, is understanding the massive quantities of data produced by large-scale simulations. The data, typically time-varying, multivariate, and volumetric, can occupy from hundreds of gigabytes to several terabytes of storage space. Transferring and processing volume data of such sizes is prohibitively expensive and resource intensive. Although it may not be possible to entirely alleviate these problems, data compression should be considered as part of a viable solution, especially when the primary means of data analysis is volume rendering. In this paper we present our study of multivariate compression, which exploits correlations among related variables, for volume rendering. Two configurations for multidimensional compression based on vector quantization are examined. We emphasize quality reconstruction and interactive rendering, which leads us to a solution using graphics hardware to perform on-the-fly decompression during rendering. In this paper we present a solution which addresses the need for data reduction in large supercomputing environments where data resulting from simulations occupies tremendous amounts of storage. Our solution employs a lossy encoding scheme to acrueve data reduction with several options in terms of rate-distortion behavior. We focus on encoding of multiple variables together, with optional compression in space and time. The compressed volumes can be rendered directly with commodity graphics cards at interactive frame rates and rendering quality similar to that of static volume renderers. Compression results using a multivariate time-varying data set indicate that encoding multiple variables results in acceptable performance in the case of spatial and temporal encoding as compared to independent compression of variables. The relative performance of spatial vs. temporal compression is data dependent, although temporal compression has the advantage of offering smooth animations, while spatial compression can handle volumes of larger dimensions.