National Library of Energy BETA

Sample records for max benzene volume

  1. Max Schulze

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

    Max Schulze June 9, 2015 Extreme unicycling The unicycle that Los Alamos student intern Max Schulze and his brother had given their dad for Father's Day in 2005 did not get much use until Schulze tried it and got hooked. Today, he is a three-time unicycling world champion, with world wins in New Zealand in 2010, Italy in 2012 and Canada in 2014. "My main competitive unicycling event is 'trials,'" Schulze explains, "which requires riders to navigate technically challenging obstacle

  2. Summary Max Total Units

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

    Summary Max Total Units *If All Splits, No Rack Units **If Only FW, AC Splits 1000 52 28 28 2000 87 59 35 3000 61 33 15 4000 61 33 15 Totals 261 153 93 ***Costs $1,957,500.00 $1,147,500.00 $697,500.00 Notes: added several refrigerants removed bins from analysis removed R-22 from list 1000lb, no Glycol, CO2 or ammonia Seawater R-404A only * includes seawater units ** no seawater units included *** Costs = (total units) X (estimate of $7500 per unit) 1000lb, air cooled split systems, fresh water

  3. 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.

  4. Collision lifetimes of polyatomic molecules at low temperatures: Benzenebenzene vs benzenerare 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 atommolecule interaction. We then compare the results of the atombenzene calculations with those for benzenebenzene collisions. The comparison illustrates that the mean lifetimes of the benzenebenzene 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 benzenebenzene collisions are much shorter than those for Xe with benzene and similar to those for Ne with benzene.

  5. Process for the preparation of ethyl benzene

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A.; Arganbright, Robert P.; Hearn, Dennis

    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.

  6. 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.

  7. Unfolding with Maxed and Gravel.

    Energy Science and Technology Software Center (OSTI)

    2004-07-12

    Version: 00 UMG (Unfolding with MAXED and GRAVEL) is a package of seven programs written for the analysis of data measured with spectrometers that require the use of unfolding techniques. See the developers’ website for information on training courses http://www.ptb.de/en/org/6/utc2006/intro.htm. The program MAXED applies the maximum entropy principle to the unfolding problem, and the program GRAVEL uses a modified SAND-II algorithm to do the unfolding. There are two versions of each: MXD_FC33 and GRV_FC33 formore » “few-channel” unfolding (e.g., Bonner sphere spectrometers) and MXD-MC33 and GRV_MC33 for “multi-channel” unfolding (e.g., NE-213). The program IQU can be used to calculate integral quantities for both MAXED and GRAVEL solution spectra and, in the case of MAXED solutions, it can also be used to calculate the uncertainty in these values as well as the uncertainty in the solution spectrum. The uncertainty calculation is handled in the following way: given a solution spectrum generated by MAXED, the program IQU considers variations in the measured data and in the default spectrum and uses standard methods to do sensitivity analysis and uncertainty propagation. There are two versions: IQU_FC33 for “few channel” unfolding and IQU_MC33 for “multi-channel” unfolding. The program UMGPlot can be used to display the results from the unfolding programs MAXED and GRAVEL in graphical form in a quick and easy way.« less

  8. Max Ambiental S A | Open Energy Information

    Open Energy Info (EERE)

    Ambiental S A Jump to: navigation, search Name: Max Ambiental S.A. Place: Sao Paulo, Brazil Zip: 01452-938 Sector: Carbon Product: Max Ambiental is a company involved in the...

  9. MaxWest Environmental Systems | Open Energy Information

    Open Energy Info (EERE)

    MaxWest Environmental Systems Jump to: navigation, search Name: MaxWest Environmental Systems Place: Houston, Texas Zip: 77057 Product: MaxWest Environmental Systems designs,...

  10. Low level benzene exposure in Sweden: effect on blood elements and body burden of benzene

    SciTech Connect (OSTI)

    Berlin, M.

    1985-01-01

    Measurements for benzene exposure were performed for different work places. In addition, breath benzene concentrations were measured in different occupations in order to establish toxico-kinetics of benzene in man; chromosomal aberrations in lymphocytes of exposed workers were also examined. Smoking appears to result in a large increase in benzene concentration in exhaled breath. The smoke from one cigarette contains 60-80 micrograms of benzene. It was found that exposure levels of 10 ppm are rather uncommon among workers handling gasoline or gasoline equipment. It was concluded that the gasoline load of road tankers cannot be responsible for chromosome changes of the driver, as milk truck drivers showed the same changes. These results did not prove that benzene was the cause of the observed changes. Smoking is the confounding factor, with a potency of at least the same order of magnitude as benzene. In addition, our present knowledge about mechanisms of benzene is not sufficiently developed to permit quantitative conclusions as to the human health risks.

  11. Indirect validation of benzene exposure assessment by association with benzene poisoning

    SciTech Connect (OSTI)

    Dosemeci, M.; Linet, M.; Wacholder, S.

    1996-12-01

    We present a validation study of a quantitative retrospective exposure assessment method used in a follow-up study of workers exposed to benzene. Assessment of exposure to benzene was carried out in 672 factories in 12 cities in China. Historical exposure data were collected for 3179 unique job titles. The basic unit for exposure assessment was a factory/work unit/job title combination over seven periods between 1949 and 1987. A total of 18,435 exposure estimates was developed, using all available historical information, including 8477 monitoring data. Overall, 38% of the estimates were based on benzene monitoring data. The highest time-weighted average exposures were observed for the rubber industry (30.7 ppm) and for rubber glue applicators (52.6 ppm). Because of its recognized link with benzene exposure, the association between a clinical diagnosis of benzene poisoning and benzene exposure was evaluated to validate the assessment method that we used in the cohort study. Our confidence in the assessment method is supported by the observation of a strong positive trend between benzene poisoning and various measures, especially recent intensity of exposure to benzene. 23 refs., 6 figs., 2 tabs.

  12. SolarMax Inc | Open Energy Information

    Open Energy Info (EERE)

    Korea (Republic) Zip: 445-912 Sector: Solar Product: Manufacturer and engineer of solar heating systems and boilers. References: SolarMax Inc1 This article is a stub. You...

  13. 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...

  14. max kwh | OpenEI Community

    Open Energy Info (EERE)

    This is likely due to users not understanding the meaning of "Max kWh"--often I see things like: "300, 700, 1000" (derived from "first 300, next 700, greater than 1000") which...

  15. 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.

  16. Benzene reduction in RFG, a new low cost route

    SciTech Connect (OSTI)

    Gildert, R.; Gildert, G.

    1994-12-31

    Benzene has been targeted for reduction in reformulated gasoline because it is the largest single contributor to the toxic emissions group. This presentation describes processes of benzene removal for the petroleum refiner. By making maximum use of existing equipment, the refiner can minimize the changes necessary to produce reformulated gasoline with a reduction in benzene levels.

  17. 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.

  18. Rainer Held > Guest Researcher - Max-Planck Institute for Solid...

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

    Rainer Held Guest Researcher - Max-Planck Institute for Solid State Research heldrain@gmail.com Formerly a member of the Schlom Group, he joined the Max-Planck Institute for Solid ...

  19. 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.

  20. 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...

  1. 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.

  2. Neutron 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 response 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.

  3. Catalytic conversion of alcohols to hydrocarbons with low benzene content

    DOE Patents [OSTI]

    Narula, Chaitanya K.; Davison, Brian H.; Keller, Martin

    2016-03-08

    A method for converting an alcohol to a hydrocarbon fraction having a lowered benzene content, the method comprising: converting said alcohol to a hydrocarbon fraction by contacting said alcohol, under conditions suitable for converting said alcohol to said hydrocarbon fraction, with a metal-loaded zeolite catalyst catalytically active for converting said alcohol to said hydrocarbon fraction, and contacting said hydrocarbon fraction with a benzene alkylation catalyst, under conditions suitable for alkylating benzene, to form alkylated benzene product in said hydrocarbon fraction. Also described is a catalyst composition useful in the method, comprising a mixture of (i) a metal-loaded zeolite catalyst catalytically active for converting said alcohol to said hydrocarbon, and (ii) a benzene alkylation catalyst, in which (i) and (ii) may be in a mixed or separated state. A reactor for housing the catalyst and conducting the reaction is also described.

  4. Adsorption characteristics of benzene on biosolid adsorbent and commercial activated carbons

    SciTech Connect (OSTI)

    Hung-Lung Chiang; Kuo-Hsiung Lin; Chih-Yu Chen; Ching-Guan Choa; Ching-Shyung Hwu; Nina Lai

    2006-05-15

    This study selected biosolids from a petrochemical wastewater treatment plant as the raw material. The sludge was immersed in 0.5-5 M of zinc chloride (ZnCl{sub 2}) solutions and pyrolyzed at different temperatures and times. Results indicated that the 1-M ZnCl{sub 2}-immersed biosolids pyrolyzed at 500{sup o}C for 30 min could be reused and were optimal biosolid adsorbents for benzene adsorption. Pore volume distribution analysis indicated that the mesopore contributed more than the macropore and micropore in the biosolid adsorbent. The benzene adsorption capacity of the biosolid adsorbent was 65 and 55% of the G206 (granular-activated carbon) and BPL (coal-based activated carbon; Calgon, Carbon Corp.) activated carbons, respectively. Data from the adsorption and desorption cycles indicated that the benzene adsorption capacity of the biosolid adsorbent was insignificantly reduced compared with the first-run capacity of the adsorbent; therefore, the biosolid adsorbent could be reused as a commercial adsorbent, although its production cost is high. 18 refs., 9 figs., 3 tabs.

  5. SolarMax Technology Inc | Open Energy Information

    Open Energy Info (EERE)

    Technology Inc Jump to: navigation, search Name: SolarMax Technology Inc Place: City of Industry, California Zip: 91745 Product: PV module maker and residential and commercial PV...

  6. Incorporating the min-max mesh optimization method within the...

    Office of Scientific and Technical Information (OSTI)

    Incorporating the min-max mesh optimization method within the Target-Matrix Paradigm. ... Country of Publication: United States Language: English Word Cloud More Like This Full ...

  7. Incorporating the min-max mesh optimization method within the...

    Office of Scientific and Technical Information (OSTI)

    Title: Incorporating the min-max mesh optimization method within the Target-Matrix ... Country of Publication: United States Language: English Word Cloud More Like This Full ...

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

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  9. The MAX facility for CFD code validation

    SciTech Connect (OSTI)

    Lomperski, S.; Merzari, E.; Obabko, A.; Pointer, W. D.; Fischer, P.

    2012-07-01

    ANL has recently completed construction of a fluid dynamics test facility devised to provide validation data for CFD simulation tools used to evaluate various aspects of nuclear power plant design and safety. Experiments with the facility involve mixing air jets within a 1x1x1.7m long glass tank at atmospheric pressure. A particle image velocimetry system measures flow velocity and turbulence quantities within the tank while a high-speed infrared camera records temperatures across the tank lid. The tandem of high fidelity thermal and turbulence data is particularly useful for benchmarking transient heat transfer phenomena such as thermal striping. This paper describes the MAX facility, preliminary data obtained during shakedown tests, and the results of companion CFD calculations employing RANS-based Star-CCM+ and large eddy simulations with Nek 5000. (authors)

  10. Method of removing benzene from petroleum desalter brine

    SciTech Connect (OSTI)

    Hart, P.R.

    1993-08-17

    A method is described for removing benzene from petroleum refinery desalter effluent brine containing dispersed oil, solids, oily solids and benzene comprising contacting the brine with a sufficient amount for the purpose of flocculating oily solids of a combination of a aluminum chlorohydrate and a water soluble cationic polymer selected from the group consisting of polyamines and dialkyldiallylammonium polymers, in a ratio of from 1:10 to 100:1 at a temperature of about 250 F, separating the resulting floc from the brine; and thereafter contacting the brine with a sufficient amount for the purpose of reducing benzene levels in the brine of an oil solvent in combination with a demulsifier.

  11. University of Maryland Wins Max Tech and Beyond Competition for

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

    Ultra-Efficient Clothes Dryer | Department of Energy University of Maryland Wins Max Tech and Beyond Competition for Ultra-Efficient Clothes Dryer University of Maryland Wins Max Tech and Beyond Competition for Ultra-Efficient Clothes Dryer September 10, 2013 - 12:00pm Addthis The Energy Department announced today that the University of Maryland won the second annual Max Tech and Beyond design competition for ultra-low energy use appliances and equipment for the second year in a row. The

  12. Max Tech Electric Heat Pump Water Heater with Lower GWP Halogenated...

    Energy Savers [EERE]

    Max Tech Electric Heat Pump Water Heater with Lower GWP Halogenated Refrigerant Max Tech Electric Heat Pump Water Heater with Lower GWP Halogenated Refrigerant Information flow ...

  13. Zhejiang Max Solar Energy Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    Solar Energy Co Ltd Jump to: navigation, search Name: Zhejiang Max Solar Energy Co Ltd Place: Huzhou, Zhejiang Province, China Zip: 313009 Product: A Zhejiang-based PV module...

  14. Subkilovolt response of Kodak T max XUV film

    SciTech Connect (OSTI)

    Dittmore, C.; Stoering, J.P. ); Gullikson, E. )

    1990-02-08

    A calibration of Kodak T max 100 XUV film at six x-ray energies ranging from 0.27 keV to 1.49 keV has been concluded. The primary purpose was to compare the sensitivity of this film to that of Kodak type 101-07 XUV film in order to appraise the feasibility of replacing the type 101-07 film with the type T max 100 film. In addition to being considerably less expensive, the T max 100 film is less disposed to abrasion from handling. A secondary objective was to provide a base for further response measurements should the T max 100 film prove to be an acceptable substitute for the type 101-07 film. 10 figs., 2 tabs.

  15. 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)

  16. Control of benzene waste NESHAP emissions from a petroleum refinery

    SciTech Connect (OSTI)

    Truelove, R.D. )

    1992-02-01

    This paper discusses the control of benzene emissions from a petroleum refinery as regulated by the National Emission Standards for Hazardous Air Pollutants (NESHAO) Subpart FF - National Standard for Benzene Waste Operations. This regulation is complex and confusing, but it provides flexibility to achieve compliance through various strategies to control benzene emissions. The first step to achieve compliance with the benzene waste NESHAP is understanding the regulation itself. Therefore, this paper summarizes the regulation to provide the reader with sufficient background to understand why specific controls are required for specific processes. The flexibility provided by the regulation to achieve compliance is not always readily apparent. This paper summarizes some of these subtleties. The author's involvement with an industry trade association in meetings with the Environmental Protection Agency during the development of the regulation allows some of EPA's expressions of their intent and internal interpretation to also be contained in the summary. The second step to achieve compliance with the benzene waste NESHAP is to actually design and operate a cost effective solution for a specific set of existing conditions within a refinery. This paper provides a case study of the equipment necessary to achieve compliance with the substantive requirements of the regulation at a large, integrated refinery. The retrofit requirements are very specific to the circumstances of this facility. Therefore, they will not be a universal, cost effective means of compliance for other refineries.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. The interactional foundations of MaxEnt: Open questions

    SciTech Connect (OSTI)

    Harr, Michael S.

    2014-12-05

    One of the simplest and potentially most useful techniques to be developed in the 20{sup th} century, a century noted for an ever more mathematically sophisticated formulation of the sciences, is that of maximising the entropy of a system in order to generate a descriptive, stochastic model of that system in closed form, often abbreviated to MaxEnt. The extension of MaxEnt to systems beyond the physics from which it originated is hampered by the fact that the microscopic physical interactions that are not justified or justifiable within the MaxEnt framework need to be falsifiably evaluated in each new field of application. It is not obvious that such justification exists for many systems in which the interactions are not directly based on physics. For example what is the justification for the use of MaxEnt in biology, climate modelling or economics? Is it simply a useful heuristic or is there some deeper connection with the foundations of some systems? Without further critical examination of the microscopic foundations that give rise to the success of the MaxEnt principle it is difficult to motivate the use of such techniques in other fields except through theoretically an practically unsatisfying analogical arguments. This article briefly presents the basis of MaxEnt principles as originally introduced in statistical mechanics in the Jaynes form, the Tsallis form and the Rnyi form. Several different applications are introduced including that of ecological diversity where maximising the different diversity measures is equivalent to maximising different entropic functionals.

  2. Paul Blom: Research Director, Max Planck Institute for Polymer Research |

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

    Center for Energy Efficient Materials Paul Blom: Research Director, Max Planck Institute for Polymer Research Jan 22, 2014 | 2:00 PM - 3:00 PM Paul Blom Research Director, Max Planck Institute for Polymer Research Transport and Recombination in Polymer:fullerene bulk Heterojunction Solar Cells January 22, 2014 | 2:00pm | ESB 2001 Faculty host: Thuc Quyen-Nguyen >>>Video and Slides available after the presentation* Abstract In solar cells, free charge carriers can recombine both via

  3. Benzene distribution in product streams from in-tank processing

    SciTech Connect (OSTI)

    Walker, D.D.

    1987-01-15

    Benzene is the major product of radiolytic decomposition of tetraphenylborate salts during in-tank salt decontamination. Its production rate has been measured at the Savannah River Laboratory (SR) and at the University of Florida under various conditions of importance to the in-tank process. Recent work has been concerned with the extent of decomposition for long storage periods, and the composition of the product streams from the process. The major results from this work are: the stored potassium tetraphenylborate precipitate will decompose at a rate of 7.3 {plus minus} 1.1% per year; the major products of the decomposition are benzene, phenol, biphenyl, and phenylboric acid; decomposition is directly proportional to the total dose and is unaffected by dose rate; the decomposition produces acidic compounds which will cause a decrease in the pH of the storage tank. 13 refs., 6 figs., 6 tabs.

  4. High temperature ion irradiation effects in MAX phase ceramics

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

    Clark, D. W.; Zinkle, Steven J.; Patel, Maulik K.; Parish, Chad M.

    2015-12-24

    The family of layered carbides and nitrides known as MAX phase ceramics combine many attractive properties of both ceramics and metals due to their nanolaminate crystal structure and are promising potential candidates for application in future nuclear reactors. This research examines the effects of energetic heavy ion (5.8 MeV Ni) irradiations on polycrystalline samples of Ti3SiC2, Ti3AlC2, and Ti2AlC. The irradiation conditions consisted of midrange ion doses between 10 and 30 displacements per atom at temperatures of 400 and 700⁰C, conditions relevant to application in future nuclear reactors and a relatively un-explored regime for this new class of materials. Followingmore » irradiation, a comprehensive analysis of radiation response properties was compiled using grazing incidence X-ray diffraction (XRD), nanoindentation, scanning electron microcopy (SEM), and transmission electron microscopy (TEM). In all cases, XRD and TEM analyses confirm the materials remain fully crystalline although the intense atomic collisions induce significant damage and disorder into the layered crystalline lattice. X-ray diffraction and nanoindentation show this damage is manifest in anisotropic swelling and hardening at all conditions and in all materials, with the aluminum based MAX phase exhibiting significantly more damage than their silicon counterpart. In all three materials there is little damage dependence on dose, suggesting saturation of radiation damage at levels below 10 displacements per atom, and significantly less retained damage at higher temperatures, suggesting radiation defect annealing. SEM surface analysis showed significant grain boundary cracking and loss of damage tolerance properties in the aluminum-based MAX phase irradiated at 400⁰C, but not in the silicon counterpart. TEM analysis of select samples suggest that interstitials are highly mobile while vacancies are immobile and that all three materials are in the so-called point defect swelling regime

  5. 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.

  6. 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...

  7. Tip-contact related low-bias negative differential resistance and rectifying effects in benzeneporphyrinbenzene 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 benzeneporphyrinbenzene (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 currentvoltage (IV) 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.

  8. Volume I

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

    DOENVl 0630-I 1 Volume I November 1990 . . . . . . ..A- "'asf NEVADA TEST SITE ANNUAL ... Volume I DOENVl 0630-l 1 Volume I NEVADA TEST SITE ANNUAL SITE ENVIRONMENTAL REPORT - ...

  9. 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.

  10. 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.

  11. 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.

  12. First Principals and Classical Molecular Dynamics Simulations of Solvated Benzene

    SciTech Connect (OSTI)

    Allesch, M; Lightstone, F; Schwegler, E; Galli, G

    2007-09-11

    We have performed extensive ab initio and classical MD simulations of benzene in water in order to examine the unique solvation structures that are formed. Qualitative differences between classical and ab initio MD simulations are found and the importance of various technical simulation parameters is examined. Our comparison indicates that non-polarizable classical models are not capable of describing the solute-water interface correctly if local interactions become energetically comparable to water hydrogen bonds. In addition, a comparison is made between a rigid water model and fully flexible water within ab initio MD simulations which shows that both models agree qualitatively for this challenging system.

  13. 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, Jos 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.

  14. The relationship between low-level benzene exposure and leukemia in Canadian petroleum distribution workers

    SciTech Connect (OSTI)

    Schnatter, A.R.; Armstrong, T.W.; Nicolich, M.J.

    1996-12-01

    This study was conducted to evaluate the relationship between leukemia occurrence and long-term, low-level benzene exposures in petroleum distribution workers. Fourteen cases were identified among a previously studied cohort. Four controls per case were selected from the same cohort, controlling for birth year and time at risk. Industrial hygienists estimated workplace exposures for benzene, without knowledge of case-control status. Average benzene concentrations ranged from 0.01 to 6.2 ppm. Company medical records were used to abstract information on other potential confounders such as cigarette smoking. Odds ratios were calculated for several exposure metrics. Conditional logistic regression modeling was used to control for potential confounders. The risk of leukemia was not associated with increasing cumulative exposure to benzene for these exposure levels. Duration of benzene exposure was more closely associated with leukemia risk than other exposure metrics, although results were not statistically significant. A family history of cancer and cigarette smoking were the two strongest risk factors for leukemia, with cumulative benzene exposure showing no additional risk when considered in the same models. This study is consistent with other data in that it was unable to demonstrate a relationship between leukemia and long-term, low-level benzene exposures. The power of the study was limited. Thus, further study on benzene exposures in this concentration range are warranted. 20 refs., 1 fig., 6 tabs.

  15. Geographical distribution of benzene in air in northwestern Italy and personal exposure

    SciTech Connect (OSTI)

    Gilli, G.; Scursatone, E.; Bono, R.

    1996-12-01

    Benzene is a solvent strictly related to some industrial activities and to automotive emissions. After the reduction in lead content of fuel gasoline, and the consequent decrease in octane number, an increase in benzene and other aromatic hydrocarbons in gasoline occurred. Therefore, an increase in the concentration of these chemicals in the air as primary pollutants and as precursors of photochemical smog could occur in the future. The objectives of this study were to describe the benzene air pollution at three sites in northwestern Italy throughout 1991 and 1994; to examine the relationship between benzene air pollution in indoor, outdoor, and personal air as measured by a group of nonsmoking university students; and to determine the influence of environmental tobacco smoke on the level of benzene exposure in indoor air environments. The results indicate a direct relationship between population density and levels of contamination; an indoor/outdoor ratio of benzene air pollution higher than 1 during day and night; a similar level of personal and indoor air contamination; and a direct relationship between levels of personal exposure to benzene and intensity of exposure to tobacco smoke. Human exposure to airborne benzene has been found to depend principally on indoor air contamination not only in the home but also in many other confined environments. 29 refs., 2 figs., 6 tabs.

  16. 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.

  17. Mirant: Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and...

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

    Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and at Min Load for 12 hours Mirant: Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and at Min Load for 12 hours Docket No. ...

  18. 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)

  19. 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.

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

    SciTech Connect (OSTI)

    Gianetti, Thomas L.; Nocton, Grgory; 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.

  1. 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(μ-C6H6)} (BDI = N,N'-diisopropylbenzene-β-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(μ-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 δ-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

  2. 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.

  3. Diffusion of Ag, Au and Cs implants in MAX phase Ti3SiC2 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Title: Diffusion of Ag, Au and Cs implants in MAX phase Ti3SiC2 MAX phases (M: early transition metal; A: elements in group 13 or 14; X: C or N), such as titanium silicon carbide ...

  4. 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.

  5. ARM - Field Campaign - 2006 MAX-Mex-Megacity Aerosol eXperiment - Mexico

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

    City 6 MAX-Mex-Megacity Aerosol eXperiment - Mexico City ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Campaign : 2006 MAX-Mex-Megacity Aerosol eXperiment - Mexico City 2006.03.03 - 2006.03.28 Lead Scientist : Jeffrey Gaffney For data sets, see below. Abstract A 4-week field campaign was conducted in and downwind of Mexico City during March 2006. The Megacity Aerosol eXperiment - MEXico City (MAX-MEX)

  6. 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 We have increased the max walltime for the low queue on Hopper from 12 to 24 hrs. Subscribe via RSS Subscribe Browse by Date February 2013 September 2012 August 2012 May 2012 April 2012 March 2012 February 2012 January 2012 November 2011 October 2011 September 2011 August 2011 July 2011 June 2011 May 2011 April 2011 March 2011 February 2011 January 2011

  7. runtime error message: "apsched: request exceeds max nodes, alloc"

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

    apsched: request exceeds max nodes, alloc" runtime error message: "apsched: request exceeds max nodes, alloc" September 12, 2014 Symptom: User jobs with single or multiple apruns in a batch script may get this runtime error. "apsched: request exceeds max nodes, alloc". This problem is intermittent, started in April, then mid July, and again since late August. Status: This problem is identified as a problem when Torque/Moab batch scheduler becomes out of sync with the

  8. Property:OpenEI/UtilityRate/DemandRateStructure/Tier5Max | Open...

    Open Energy Info (EERE)

    navigation, search This is a property of type Number. Retrieved from "http:en.openei.orgwindex.php?titleProperty:OpenEIUtilityRateDemandRateStructureTier5Max&oldid539754...

  9. Property:OpenEI/UtilityRate/EnergyRateStructure/Tier1Max | Open...

    Open Energy Info (EERE)

    navigation, search This is a property of type Number. Retrieved from "http:en.openei.orgwindex.php?titleProperty:OpenEIUtilityRateEnergyRateStructureTier1Max&oldid539766...

  10. Property:OpenEI/UtilityRate/DemandRateStructure/Tier4Max | Open...

    Open Energy Info (EERE)

    navigation, search This is a property of type Number. Retrieved from "http:en.openei.orgwindex.php?titleProperty:OpenEIUtilityRateDemandRateStructureTier4Max&oldid539751...

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

    Open Energy Info (EERE)

    it should as we are trying to prevent users from writing "less than X", "greater than Y", etc. and follow the intention of the "Max kWh" field. Also there should be a warning...

  12. 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.

  13. Princeton, Max Planck Society launch new research center for plasma physics

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

    | Princeton Plasma Physics Lab Princeton, Max Planck Society launch new research center for plasma physics By John Greenwald March 30, 2012 Tweet Widget Google Plus One Share on Facebook (From left to right) Princeton University Professor of Astrophysical Sciences James Stone, Princeton University President Shirley M. Tilghman, Princeton University Dean for Research A. J. Stewart Smith, Max Planck Society President Peter Gruss, and Consul General of the Federal Republic of Germany in New

  14. Max Tech Electric Heat Pump Water Heater with Lower GWP Halogenated

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

    Refrigerant | Department of Energy Max Tech Electric Heat Pump Water Heater with Lower GWP Halogenated Refrigerant Max Tech Electric Heat Pump Water Heater with Lower GWP Halogenated Refrigerant Information flow schematic for an integrated heat pump design model and wrapped tank model. Image credit: Oak Ridge National Laboratory. Information flow schematic for an integrated heat pump design model and wrapped tank model. Image credit: Oak Ridge National Laboratory. Information flow schematic

  15. 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, Michelle J.; Zoerb, Matthew C.; Campbell, Nicole R.; Zimmermann, Kathryn J.; Blomquist, Byron W.; Huebert, Barry J.; Bertram, Timothy H.

    2016-04-05

    Here, 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, β-caryophyllene) as well as previously studied VOCs (i.e., isoprene, α-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 α-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a much weaker electric field, demonstrated that ion–molecule reactions likely proceed through a combinationmore » 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 (< 25 %) was observed for the detection of β-caryophyllene, a bicyclic sesquiterpene. The in-field stability of benzene cluster cations using CI-ToFMS was examined in the marine boundary layer during the High Wind Gas Exchange Study (HiWinGS). The use of benzene cluster cation chemistry for the selective detection of DMS was validated against an atmospheric pressure ionization mass spectrometer, where measurements from the two instruments were highly correlated (R2 > 0.95, 10 s averages) over a wide range of sampling conditions.« less

  16. 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.

  17. 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.

  18. 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.

  19. 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)

  20. 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 amorecombination 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

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

    SciTech Connect (OSTI)

    Mei, Donghai; Lebarbier, Vanessa M.; Rousseau, Roger; Glezakou, Vassiliki-Alexandra; Albrecht, Karl O.; Kovarik, Libor; Flake, Matt; Dagle, Robert A.

    2013-06-07

    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

  6. Band gap estimation from temperature dependent Seebeck measurementDeviations from the 2e|S|{sub max}T{sub max} relation

    SciTech Connect (OSTI)

    Gibbs, Zachary M.; Kim, Hyun-Sik; Wang, Heng; Snyder, G. Jeffrey

    2015-01-12

    In characterizing thermoelectric materials, electrical and thermal transport measurements are often used to estimate electronic band structure properties such as the effective mass and band gap. The Goldsmid-Sharp band gap, E{sub g}?=?2e|S|{sub max}T{sub max}, is a tool widely employed to estimate the band gap from temperature dependent Seebeck coefficient measurements. However, significant deviations of more than a factor of two are now known to occur. We find that this is when either the majority-to-minority weighted mobility ratio (A) becomes very different from 1.0 or as the band gap (E{sub g}) becomes significantly smaller than 10 k{sub B}T. For narrow gaps (E{sub g}???6 k{sub B}T), the Maxwell-Boltzmann statistics applied by Goldsmid-Sharp break down and Fermi-Dirac statistics are required. We generate a chart that can be used to quickly estimate the expected correction to the Goldsmid-Sharp band gap depending on A and S{sub max}; however, additional errors can occur for S?

  7. 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.

  8. 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, Michelle J.; Zoerb, Matthew C.; Campbell, Nicole R.; Zimmermann, Kathryn J.; Blomquist, Byron W.; Huebert, Barry J.; Bertram, Timothy H.

    2016-01-01

    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, β-caryophyllene) as well as previously studied VOCs (i.e., isoprene, α-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 α-pinene standards. Parallel measurements conducted using a chemical-ionization quadrupole mass spectrometer, with a much weaker electric field, demonstrated that ion–molecule reactions likely proceed through a combination of ligand-switching and directmore » charge transfer mechanisms. Laboratory tests suggest that benzene cluster cations may be suitable for the selective ionization of sesquiterpenes, where minimal fragmentation (< 25 %) was observed for the detection of β-caryophyllene, a bicyclic sesquiterpene. The in-field stability of benzene cluster cations using CI-ToFMS was examined in the marine boundary layer during the High Wind Gas Exchange Study (HiWinGS). The use of benzene cluster cation chemistry for the selective detection of DMS was validated against an atmospheric pressure ionization mass spectrometer, where measurements from the two instruments were highly correlated (R2 > 0.95, 10 s averages) over a wide range of sampling conditions.« less

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

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

    Claire E. Max, 2004 The Ernest Orlando Lawrence Award Lawrence Award Home Nomination & Selection Guidelines Award Laureates 2010's 2000's 1990's 1980's 1970's 1960's Ceremony The Life of Ernest Orlando Lawrence Contact Information The Ernest Orlando Lawrence Award U.S. Department of Energy SC-2/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301) 903-2411 E: Email Us 2000's Claire E. Max, 2004 Print Text Size: A A A FeedbackShare Page Physics: For her contributions to

  10. 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.

  11. 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

  12. Leukemia mortality by cell type in petroleum workers with potential exposure to benzene

    SciTech Connect (OSTI)

    Raabe, G.K.; Wong, O.

    1996-12-01

    Workers in the petroleum industry are potentially exposed to a variety of petrochemicals, including benzene or benzene-containing liquids. Although a large number of studies of petroleum workers have been conducted to examine leukemia and other cancer risks, few existing studies have investigated cell-type-specific leukemias. One of the major reasons for the lack of cell-type-specific analysis was the small number of deaths by cell type in individual studies. In the present investigation, all cohort studies of petroleum workers in the United States and the United Kingdom were combined into a single database for cell-type-specific leukemia analysis. The majority of these workers were petroleum refinery employees, but production, pipeline, and distribution workers in the petroleum industry were also included. The combined cohort consisted of more than 208,000 petroleum workers, who contributed more than 4.6 million person-years of observation. Based on a meta-analysis of the combined data, cell-type-specific leukemia risks were expressed in terms of standardized mortality ratios (meta-SMRs). The meta-SMR for acute myeloid leukemia was 0.96. The lack of an increase of acute myeloid leukemia was attributed to the low levels of benzene exposure in the petroleum industry, particularly in comparison to benzene exposure levels in some previous studies of workers in other industries, who had been found to experience an increased risk of acute myeloid leukemia. Similarly, no increase in chronic myeloid, acute lymphocytic, or chronic lymphocytic leukemias was found in petroleum workers (meta-SMRs of 0.89, 1.16, and 0.84, respectively). Stratified meta-analyses restricted to refinery studies or to studies with at least 15 years of follow-up yielded similar results. The findings are consistent with those from several recent case-control studies of cell-type-specific leukemia. 95 refs., 4 figs., 10 tabs.

  13. Carbon Nanothreads from Compressed Benzene | U.S. DOE Office of Science

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

    (SC) Carbon Nanothreads from Compressed Benzene Basic Energy Sciences (BES) BES Home About Research Facilities Science Highlights Benefits of BES Funding Opportunities Basic Energy Sciences Advisory Committee (BESAC) Community Resources Contact Information Basic Energy Sciences U.S. Department of Energy SC-22/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301) 903-3081 F: (301) 903-6594 E: Email Us More Information » 04.01.15 Carbon Nanothreads from Compressed

  14. Testing of stripping columns for the removal of benzene from aqueous radioactive salt solution

    SciTech Connect (OSTI)

    Georgeton, G.K.; Taylor, G.A.; Gaughan, T.P.

    1995-06-27

    Radioactive high level wastes (HLW) generated from production of special nuclear materials at the Savannah River Site (SRS) are held in interim storage in 51 underground, million gallon tanks. Radioactive cesium ({sup 137}Cs) is segregated by evaporation of aqueous waste solution for interim storage in a salt matrix comprised of Na and K salts or in concentrated salt solution. The saltcake will be dissolved and {sup 137}Cs will be separated from the nonradioactive salts in solution in the In-Tank Precipitation (ITP) Process. The cesium will be combined with other radioactive species and glass formers to be melted and poured into stainless steel canisters in the Defense Waste Processing Facility (DWPF). The salt solution remaining after decontamination in the ITP process will be incorporated into grout for disposal at the site`s Saltstone facility. In the ITP facility, sodium tetraphenylborate (STPB) will be added to precipitate the cesium. Potassium in the waste solution also reacts with STPB and precipitates. Due to radiolytic and chemical degradation of the tetraphenylborate (TPB) precipitate, benzene is generated. The benzene dissolves into the decontaminated salt solution (DSS) and into water (WW) used to {open_quotes}wash{close_quotes} the precipitate to lower the soluble salt content of the slurry. Safety and processing requirements for disposal of the DSS and for temporary storage of the WW dictate that the benzene concentration be reduced.

  15. Comparative pharmacokinetic study of the role of gender and developmental differences in occupational and environmental exposure to benzene. Master's thesis

    SciTech Connect (OSTI)

    Brown, E.A.

    1994-09-01

    The purpose of this study is two-fold. First, it shows that physiological differences between men and women result in gender-specific exposures with respect to benzene. Second, it assesses the potential for a lactating woman's occupational and personal benzene exposure to impact a nursing infant's exposure, highlighting the possibility of subjecting an infant to the effects of industrial chemicals via breast feeding. This study employs physiologically based pharmacokinetic (PBPK) modeling to investigate the influence of physiological parameters and to evaluate the ability of inhaled benzene to transfer from mother to infant through breastmilk. The models are run through scenarios that simulate occupational, smoking, and background exposures. The gender comparison is facilitated by a sensitivity analysis. The blood/air partition coefficient and maximum velocity of metabolism were found to substantially impact model output. These values were both higher in women and caused an increase in the percentage of benzene metabolized in all of the exposure scenarios. The study of lactating women and infants is essentially theoretical. There is evidence that over 65% of an infant's benzene exposure can be attributed to contaminated breastmilk. A large portion of the ingested exposure can be eliminated by adjusting the mother's working or nursing schedule. Benzene, Physiologically based pharmacokinetics, PBPK.

  16. An Order-of-Magnitude Estimation of Benzene Concentration in Saltstone Vault

    SciTech Connect (OSTI)

    CHOI, A

    2006-03-20

    The contents of Tank 48H that include the tetraphenylborate (TPB) precipitates of potassium and cesium will be grouted and stored in the Saltstone vault. The grouting process is exothermic, which should accelerate the rate of decomposition of TPB precipitates eventually to benzene. Because the vault is not currently outfitted with an active ventilation system, there is a concern that a mixture of flammable gases may form in the vapor space of each cell filled with the curing grout. The purpose of this study was to determine if passive breathing induced by the diurnal fluctuations of barometric pressure would provide any mitigating measure against potential flammability in the cell vapor space. In Revision 0 of this document, a set of algorithms were presented that would predict the equilibrium concentration of benzene in the cell vapor space as a function of benzene generation rate, fill height, and passive breathing rate. The algorithms were derived based on several simplifying assumptions so that order of magnitude estimates could be made quickly for scoping purposes. In particular, it was assumed that passive breathing would occur solely due to barometric pressure fluctuations that were sinusoidal; the resulting algorithm for estimating the rate of passive breathing into or out of each cell is given in Eq. (10). Since Revision 0 was issued, the validity of this critical assumption on the mode of passive breathing was checked against available passive ventilation data for the Hanford waste tanks. It was found that the passive breathing rates estimated from Eq. (10) were on average 50 to 90% lower than those measured for 5 out of 6 Hanford tanks considered in this study (see Table 1); for Tank U-106, the estimated passive breathing rates were on average 20% lower than the measured data. These results indicate that Eq. (10) would most likely under predict passive breathing rates of the Saltstone vault. At a given fill height and benzene generation rate, under

  17. Film Collection Volume One

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

    Volume One Film Collection Volume Two 75th Anniversary Hydropower in the Northwest Woody Guthrie Videos Strategic Direction Branding & Logos Power of the River History Book...

  18. Volume One Disc Two

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

    Volume One Film Collection Volume Two 75th Anniversary Hydropower in the Northwest Woody Guthrie Videos Strategic Direction Branding & Logos Power of the River History Book...

  19. DOE - Office of Legacy Management -- Max Zuckerman and Sons - IL 30

    Office of Legacy Management (LM)

    - IL 30 FUSRAP Considered Sites Site: MAX ZUCKERMAN & SONS (IL.30 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: 1925 N. Kenmore Avenue , Chicago , Illinois IL.30-1 Evaluation Year: 1994 IL.30-2 Site Operations: Sample sized quantities of radioactive materials were shipped through this location; broker arranged purchases of materials for third party buyers. IL.30-2 Site Disposition: Eliminated - Potential for contamination

  20. ~max0006

    National Nuclear Security Administration (NNSA)

    ... NNSA Headauarters. 1) For cyber security. direct assessment of NNSA contractors by NASA Ifeadquarters organizations consists of the following: a) Annual revieus of Site Office ...

  1. Max Schulze

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

    Matty Greene About Us Matty Greene - Former Videographer Matty Greene Matty joined the Department of Energy as a videographer in May 2013, producing, filming and editing online video content for Energy. Prior to joining the Department of Energy, her other video pursuits included interning at the White House in the Office of Digital Strategy, where she filmed the President and First Lady, and making short films that played at festivals including South by Southwest. A native Austinite and avid

  2. 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 47 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 5080 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.

  3. FY 2007 Volume 5

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

    5 DOE/CF-006 Volume 5 Environmental management Department of Energy FY 2007 Congressional Budget Request February 2006 Office of Chief Financial Officer Volume 5 DOE/CF-006 Volume 5 Printed with soy ink on recycled paper Environmental management Department of Energy/ Environmental Management FY 2007 Congressional Budget Volume 5 Table of Contents Page Appropriation Account Summary .........................................................................................................3

  4. FY 2008 Volume 5

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

    5 DOE/CF-018 Volume 5 Environmental Management Department of Energy FY 2008 Congressional Budget Request February 2007 Office of Chief Financial Officer Volume 5 DOE/CF-018 Volume 5 Environmental Management Printed with soy ink on recycled paper Department of Energy/ Environmental Management FY 2008 Congressional Budget Volume 5 Table of Contents Page Appropriation Account Summary.............................................................................................................3

  5. FY 2011 Volume 4

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

    4 DOE/CF-0050 Volume 4 Science Department of Energy FY 2011 Congressional Budget Request February 2010 Office of Chief Financial Officer Volume 4 DOE/CF-0050 Volume 4 Science Printed with soy ink on recycled paper Department of Energy FY 2011 Congressional Budget Request Department of Energy/ Science FY 2011 Congressional Budget Volume 4 Table of Contents Page Appropriation Account

  6. FY 2012 Volume 4

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

    0 Volume 4 Department of Energy FY 2012 Congressional Budget Request Science Science February 2011 Office of Chief Financial Officer Volume 4 DOE/CF-0060 Volume 4 Department of Energy FY 2012 Congressional Budget Request Science Science February 2011 Office of Chief Financial Officer Volume 4 Printed with soy ink on recycled paper Department of Energy/ Science FY 2012 Congressional Budget Volume 4 Table of Contents Page Appropriation Account Summary

  7. 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.

  8. 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).

  9. 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.

  10. 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.

  11. Exposure to methyl tert-butyl ether, benzene, and total hydrocarbons at the Singapore-Malaysia causeway immigration checkpoint

    SciTech Connect (OSTI)

    Tan, C.; Ong, H.Y.; Kok, P.W.

    1996-12-31

    The primary aim of this study was to determine the extent and levels of exposure to volatile organic compounds (VOCs) from automobile emissions in a group of immigration officers at a busy cross-border checkpoint. A majority (80%) of the workers monitored were exposed to benzene at levels between 0.01 and 0.5 ppm, with only 1.2% exceeding the current Occupational Safety and Health Administration occupational exposure limit of 1 ppm. The geometric mean (GM) concentrations of 8-hr time-weighted average exposure were 0.03 ppm, 0.9 ppm, and 2.46 ppm for methyl-tert-butyl ether (MTBE), benzene, and total hydrocarbons (THC), respectively. The highest time-weighted average concentrations measured were 1.05 ppm for MTBE, 2.01 ppm for benzene, and 34 ppm for THC. It was found that motorbikes emitted a more significant amount of pollutants compared with motor cars. On average, officers at the motorcycle booths were exposed to four to five times higher levels of VOCs (GMs of 0.07 ppm, 0.23 ppm, and 4.7 ppm for MTBE, benzene, and THC) than their counterparts at the motor car booths (GMs of 0.01 ppm, 0.05 ppm, and 1.5 ppm). The airborne concentrations of all three pollutants correlated with the flow of vehicle traffic. Close correlations were also noted for the concentrations in ambient air for the three pollutants measured. Benzene and MTBE had a correlation coefficient of 0.97. The overall findings showed that the concentrations of various VOCs were closely related to the traffic density, suggesting that they were from a common source, such as exhaust emissions from the vehicles. The results also indicated that although benzene, MTBE, and THC are known to be volatile, a significant amount could still be detected in the ambient environment, thus contributing to our exposure to these compounds. 4 refs., 6 figs.

  12. 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)

  13. 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

  14. DOE - Office of Legacy Management -- Max Zuckerman and Sons Inc - MD 04

    Office of Legacy Management (LM)

    Inc - MD 04 FUSRAP Considered Sites Site: MAX ZUCKERMAN & SONS, INC. (MD.04 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: Maryland Alloys Corporation MD.04-1 Location: 5245 Fairlawn Avenue , Baltimore , Maryland MD.04-2 Evaluation Year: 1994 MD.04-1 MD.04-3 Site Operations: Scrap metals broker that arranged purchases of materials for third party buyers. MD.04-2 MD.04-4 Site Disposition: Eliminated - Potential for contamination remote MD.04-3

  15. FY 2006 Volume 4

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

    Science Nuclear Waste Disposal Defense Nuclear Waste Disposal Departmental Administration Inspector General Working Capital Fund Office of Management, Budget and Evaluation/CFO Volume 4 February 2005 DOE/ME-0049 Volume 4 Department of Energy FY 2006 Congressional Budget Request Science Nuclear Waste Disposal Defense Nuclear Waste Disposal Departmental Administration Inspector General Working Capital Fund Office of Management, Budget and Evaluation/CFO Volume 4 February 2005 DOE/ME-0049 Volume 4

  16. FY 2011 Volume 5

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

    5 DOE/CF-0051 Volume 5 Environmental Management Department of Energy FY 2011 Congressional Budget Request February 2010 Office of Chief Financial Officer Volume 5 DOE/CF-0051 Volume 5 Environmental Management Printed with soy ink on recycled paper Department of Energy FY 2011 Congressional Budget Request Department of Energy/ Environmental Management FY 2011 Congressional Budget Volume 5 Table of Contents Page Appropriation Account

  17. FY 2012 Volume 7

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

    3 Volume 7 Department of Energy FY 2012 Congressional Budget Request Nuclear Energy D f N l W t Di l Defense Nuclear Waste Disposal Nuclear Waste Disposal February 2011 Office of Chief Financial Officer Volume 7 Printed with soy ink on recycled paper Department of Energy/ Volume 7 FY 2012 Congressional Budget Volume 7 Table of Contents Page Appropriation Account Summary ........................................................................................................... 3 Nuclear Energy

  18. FY 2013 Volume 5

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

    5 DOE/CF-0075 Volume 5 Environmental Management Department of Energy FY 2013 Congressional Budget Request February 2012 Office of Chief Financial Officer Volume 5 DOE/CF-0075 Volume 5 Environmental Management Printed with soy ink on recycled paper Department of Energy FY 2013 Congressional Budget Request Environmental Management Page 1 FY 2013 Congressional Budget Volume 5 Table of Contents Page Appropriation Account Summary

  19. 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.

  20. FY 2008 Volume 6

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

    6 DOE/CF-019 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Power Administration Bonneville Power Administration Department of Energy FY 2008 Congressional Budget Request February 2007 Office of Chief Financial Officer Volume 6 DOE/CF-019 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Power Administration Bonneville Power Administration Printed with soy ink

  1. FY 2009 Volume 6

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

    6 DOE/CF-029 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Bonneville Power Administration February 2008 Office of Chief Financial Officer Department of Energy FY 2009 Congressional Budget Request Volume 6 DOE/CF-029 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Bonneville Power Administration Printed

  2. FY 2012 Volume 5

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

    1 Volume 5 Department of Energy FY 2012 Congressional Budget Request Environmental Management February 2011 Office of Chief Financial Officer Volume 5 Printed with soy ink on recycled paper Environmental Management FY 2011 Congressional Budget Volume 5 Table of Contents Page Appropriation Account Summary .............................................................................................................3 Appropriation Language

  3. FY 2013 Volume 6

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

    6 Volume 6 Department of Energy FY 2013 Congressional Budget Request Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Western Area Power Administration Bonneville Power Administration February 2012 Office of Chief Financial Officer Volume 6 DOE/CF-0076 Volume 6 Department of Energy FY 2013 Congressional Budget Request Power Marketing Administrations Southeastern Power Administration Southwestern Power

  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 μm Ti2AlC by PVD was slightly protective while 117 μm Ti2AlC by cold spray and 3.6 μm Zr2AlC by PVD were completely protective. None of the tests showed decomposition of the coating (Ti or Zr) into the salt

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

    SciTech Connect (OSTI)

    Sweeney, Lynn C.

    2013-04-01

    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

  6. Spectroscopic study on deuterated benzenes. I. Microwave spectra and molecular structure in the ground state

    SciTech Connect (OSTI)

    Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki; Nakajima, Masakazu; Endo, Yasuki

    2015-12-28

    We observed microwave absorption spectra of some deuterated benzenes and accurately determined the rotational constants of all H/D isotopomers in the ground vibrational state. Using synthetic analysis assuming that all bond angles are 120°, the mean bond lengths were obtained to be r{sub 0}(C–C) = 1.3971 Å and r{sub 0}(C–H) = r{sub 0}(C–D) = 1.0805 Å. It has been concluded that the effect of deuterium substitution on the molecular structure is negligibly small and that the mean bond lengths of C–H and C–D are identical unlike small aliphatic hydrocarbons, in which r{sub 0}(C–D) is about 5 mÅ shorter than r{sub 0}(C–H). It is considered that anharmonicity is very small in the C–H stretching vibration of aromatic hydrocarbons.

  7. 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. Choppins 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.

  8. 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.

  9. 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.

  10. FY 2006 Volume 1

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

    National Nuclear Security Administration Office of the Administrator Weapons Activities Defense Nuclear Nonproliferation Naval Reactors Office of Management, Budget and Evaluation/CFO Volume 1 February 2005 DOE/ME-0046 Volume 1 Department of Energy FY 2006 Congressional Budget Request National Nuclear Security Administration Office of the Administrator Weapons Activities Defense Nuclear Nonproliferation Naval Reactors Office of Management, Budget and Evaluation/CFO Volume 1 February 2005

  11. FY 2006 Volume 2

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

    2 February 2005 DOE/ME-0047 Volume 2 Other Defense Activities Security & Performance Assurance Environment, Safety & Health Legacy Management Nuclear Energy Defense Related Administrative Support Office of Hearings & Appeals Safeguards & Security Crosscut Department of Energy FY 2006 Congressional Budget Request Office of Management, Budget and Evaluation/CFO Volume 2 February 2005 DOE/ME-0047 Volume 2 Other Defense Activities Security & Performance Assurance Environment,

  12. FY 2006 Volume 5

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

    5 February 2005 DOE/ME-0050 Volume 5 Environmental Management Defense Site Acceleration Completion Defense Environmental Services Non-Defense Site Acceleration Completion Non-Defense Environmental Services Uranium Enrichment Decontamination and Decommissioning Fund Department of Energy FY 2006 Congressional Budget Request Office of Management, Budget and Evaluation/CFO Volume 5 February 2005 DOE/ME-0050 Volume 5 Environmental Management Defense Site Acceleration Completion Defense Environmental

  13. FY 2006 Volume 6

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

    6 February 2005 DOE/ME-0051 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Bonneville Power Administration Department of Energy FY 2006 Congressional Budget Request Office of Management, Budget and Evaluation/CFO Volume 6 February 2005 DOE/ME-0051 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Bonneville

  14. FY 2006 Volume 7

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

    7 February 2005 DOE/ME-0052 Volume 7 Interior & Related Agencies Fossil Energy Research & Development Naval Petroleum & Oil Shale Reserves Elk Hills School Lands Fund Energy Conservation Economic Regulation Strategic Petroleum Reserve Energy Information Administration Clean Coal Technology Department of Energy FY 2006 Congressional Budget Request Office of Management, Budget and Evaluation/CFO Volume 7 February 2005 DOE/ME-0052 Volume 7 Interior & Related Agencies Fossil Energy

  15. FY 2007 Volume 3

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

    3 DOE/CF-004 Volume 3 Energy supply and Conservation Energy efficiency and renewable energy Electricity delivery and energy reliability Nuclear energy Environment, safety and health Legacy management Department of Energy FY 2007 Congressional Budget Request February 2006 Office of Chief Financial Officer Volume 3 DOE/CF-004 Volume 3 Printed with soy ink on recycled paper Energy supply and Conservation Energy efficiency and renewable energy Electricity delivery and energy reliability Nuclear

  16. FY 2007 Volume 4

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

    4 DOE/CF-005 Volume 4 Science Nuclear waste disposal Defense nuclear waste disposal Departmental administration Inspector general Working capital fund Department of Energy FY 2007 Congressional Budget Request February 2006 Office of Chief Financial Officer Volume 4 DOE/CF-005 Volume 4 Printed with soy ink on recycled paper Science Nuclear waste disposal Defense nuclear waste disposal Departmental administration Inspector general Working capital fund Science Nuclear Waste Disposal Defense Nuclear

  17. FY 2007 Volume 6

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

    6 DOE/CF-007 Volume 6 Power marketing administrations Southeastern power administration Southwestern power administration Western power administration Bonneville power administration Department of Energy FY 2007 Congressional Budget Request February 2006 Office of Chief Financial Officer Volume 6 DOE/CF-007 Volume 6 Printed with soy ink on recycled paper Power marketing administrations Southeastern power administration Southwestern power administration Western power administration Bonneville

  18. FY 2007 Volume 7

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

    7 DOE/CF-008 Volume 7 Fossil energy and other Fossil energy research and development Naval petroleum & oil shale reserves Elk hills school lands fund Strategic petroleum reserve Clean coal technology Energy information administration Department of Energy FY 2007 Congressional Budget Request February 2006 Office of Chief Financial Officer Volume 7 DOE/CF-008 Volume 7 Printed with soy ink on recycled paper Fossil energy and other Fossil energy research and development Naval petroleum & oil

  19. FY 2008 Volume 2

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

    2 DOE/CF-015 Volume 2 Other Defense Activities Health, Safety and Security Legacy Management Nuclear Energy Defense-Related Administrative Support Hearings and Appeals Safeguards and Security Crosscut Department of Energy FY 2008 Congressional Budget Request February 2007 Office of Chief Financial Officer Volume 2 DOE/CF-015 Volume 2 Other Defense Activities Health, Safety and Security Legacy Management Nuclear Energy Defense-Related Administrative Support Hearings and Appeals Safeguards and

  20. FY 2008 Volume 3

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

    3 DOE/CF-016 Volume 3 Energy Supply and Conservation Energy Efficiency and Renewable Energy Electricity Delivery and Energy Reliability Nuclear Energy Legacy Management Department of Energy FY 2008 Congressional Budget Request February 2007 Office of Chief Financial Officer Volume 3 DOE/CF-016 Volume 3 Energy Supply and Conservation Energy Efficiency and Renewable Energy Electricity Delivery and Energy Reliability Nuclear Energy Legacy Management Printed with soy ink on recycled paper Energy

  1. FY 2008 Volume 4

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

    4 DOE/CF-017 Volume 4 Science Nuclear Waste Disposal Defense Nuclear Waste Disposal Departmental Administration Inspector General Loan Guarantee Program Working Capital Fund Department of Energy FY 2008 Congressional Budget Request February 2007 Office of Chief Financial Officer Volume 4 DOE/CF-017 Volume 4 Science Nuclear Waste Disposal Defense Nuclear Waste Disposal Departmental Administration Inspector General Loan Guarantee Program Working Capital Fund Printed with soy ink on recycled paper

  2. FY 2008 Volume 7

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

    7 DOE/CF-020 Volume 7 Fossil Energy and Other Fossil Energy Research and Development Naval Petroleum & Oil Shale Reserves Elk Hills School Lands Fund Strategic Petroleum Reserve Clean Coal Technology Ultra-Deepwater Unconventional Natural Gas Energy Information Administration Department of Energy FY 2008 Congressional Budget Request February 2007 Office of Chief Financial Officer Volume 7 DOE/CF-020 Volume 7 Fossil Energy and Other Fossil Energy Research and Development Naval Petroleum &

  3. FY 2009 Volume 2

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

    2 DOE/CF-025 Volume 2 Other Defense Activities Departmental Administration Inspector General Loan Guarantee Program Working Capital Fund Energy Information Administration Safeguards and Security Crosscut February 2008 Office of Chief Financial Officer Department of Energy FY 2009 Congressional Budget Request Volume 2 DOE/CF-025 Volume 2 Other Defense Activities Departmental Administration Inspector General Loan Guarantee Program Working Capital Fund Energy Information Administration Safeguards

  4. FY 2009 Volume 3

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

    3 DOE/CF-026 Volume 3 Energy Supply and Conservation Energy Efficiency and Renewable Energy Electricity Delivery and Energy Reliability Nuclear Energy Legacy Management February 2008 Office of Chief Financial Officer Department of Energy FY 2009 Congressional Budget Request Volume 3 DOE/CF-026 Volume 3 Energy Supply and Conservation Energy Efficiency and Renewable Energy Electricity Delivery and Energy Reliability Nuclear Energy Legacy Management Printed with soy ink on recycled paper Energy

  5. FY 2009 Volume 5

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

    5 DOE/CF-028 Volume 5 Environmental Management Defense Nuclear Waste Disposal Nuclear Waste Disposal February 2008 Office of Chief Financial Officer Department of Energy FY 2009 Congressional Budget Request Volume 5 DOE/CF-028 Volume 5 Environmental Management Defense Nuclear Waste Disposal Nuclear Waste Disposal Printed with soy ink on recycled paper Environmental Management Defense Nuclear Waste Disposal Nuclear Waste Disposal Environmental Management Defense Nuclear Waste Disposal Nuclear

  6. FY 2009 Volume 7

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

    7 DOE/CF-030 Volume 7 Fossil Energy Research and Development Naval Petroleum and Oil Shale Reserves Strategic Petroleum Reserve Northeast Home Heating Oil Reserve Clean Coal Technology Ultra-Deepwater Unconventional Natural Gas February 2008 Office of Chief Financial Officer Department of Energy FY 2009 Congressional Budget Request Volume 7 DOE/CF-030 Volume 7 Fossil Energy Research and Development Naval Petroleum and Oil Shale Reserves Strategic Petroleum Reserve Northeast Home Heating Oil

  7. FY 2010 Volume 3

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

    3 DOE/CF-037 Volume 3 Energy Efficiency and Renewable Energy Electricity Delivery and Energy Reliability Energy Transformation Acceleration Fund Nuclear Energy May 2009 Office of Chief Financial Officer FY 2010 Congressional Budget Request Volume 3 DOE/CF-037 Volume 3 Energy Efficiency and Renewable Energy Electricity Delivery and Energy Reliability Energy Transformation Acceleration Fund Nuclear Energy Printed with soy ink on recycled paper Energy Efficiency and Renewable Energy Electricity

  8. FY 2010 Volume 5

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

    5 DOE/CF-039 Volume 5 Environmental Management Defense Nuclear Waste Disposal Nuclear Waste Disposal May 2009 Office of Chief Financial Officer FY 2010 Congressional Budget Request Volume 5 DOE/CF-039 Volume 5 Environmental Management Defense Nuclear Waste Disposal Nuclear Waste Disposal Printed with soy ink on recycled paper Environmental Management Defense Nuclear Waste Disposal Nuclear Waste Disposal Environmental Management Defense Nuclear Waste Disposal Nuclear Waste Disposal Department of

  9. FY 2010 Volume 6

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

    6 DOE/CF-040 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Bonneville Power Administration May 2009 Office of Chief Financial Officer FY 2010 Congressional Budget Request Volume 6 DOE/CF-040 Volume 6 Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Bonneville Power Administration Printed with soy ink on recycled

  10. FY 2010 Volume 7

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

    7 DOE/CF-041 Volume 7 Fossil Energy Research and Development Naval Petroleum and Oil Shale Reserves Strategic Petroleum Reserve Northeast Home Heating Oil Reserve Clean Coal Technology Ultra-Deepwater Unconventional Natural Gas May 2009 Office of Chief Financial Officer FY 2010 Congressional Budget Request Volume 7 DOE/CF-041 Volume 7 Fossil Energy Research and Development Naval Petroleum and Oil Shale Reserves Strategic Petroleum Reserve Northeast Home Heating Oil Reserve Clean Coal Technology

  11. FY 2011 Volume 1

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

    1 DOE/CF-0047 Volume 1 National Nuclear Security Administration Office of the Administrator Weapons Activities Defense Nuclear Nonproliferation Naval Reactors Department of Energy FY 2011 Congressional Budget Request February 2010 Office of Chief Financial Officer Volume 1 DOE/CF-0047 Volume 1 National Nuclear Security Administration Office of the Administrator Weapons Activities Defense Nuclear Nonproliferation Naval Reactors Printed with soy ink on recycled paper Department of Energy FY 2011

  12. FY 2011 Volume 2

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

    2 DOE/CF-0048 Volume 2 Other Defense Activities Departmental Administration Inspector General Advanced Technology Vehicles Manufacturing Loan Program Title 17 Innovative Technology Loan Guarantee Program Working Capital Fund Energy Information Administration Safeguards and Security Crosscut Domestic Utility Fee Pensions Department of Energy FY 2011 Congressional Budget Request February 2010 Office of Chief Financial Officer Volume 2 DOE/CF-0048 Volume 2 Other Defense Activities Departmental

  13. FY 2005 Volume 1

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

    2 Volume 1 February 2004 Volume 1 National Nuclear Security Administration National Nuclear Security Administration Office of the Administrator Office of the Administrator Weapons Activities Weapons Activities Defense Nuclear Nonproliferation Defense Nuclear Nonproliferation Naval Reactors Naval Reactors Office of Management, Budget and Evaluation/CFO Department of Energy Department of Energy FY 2005 Congressional Budget FY 2005 Congressional Budget Request Request DOE/ME-0032 Volume 1 February

  14. FY 2005 Volume 4

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

    ME-0035 Volume 4 Science Science Nuclear Waste Disposal Nuclear Waste Disposal Defense Nuclear Waste Disposal Defense Nuclear Waste Disposal Departmental Administration Departmental Administration Inspector General Inspector General Working Capital Fund Working Capital Fund February 2004 Volume 4 Office of Management, Budget and Evaluation/CFO Department of Energy Department of Energy FY 2005 Congressional Budget FY 2005 Congressional Budget Request Request DOE/ME-0035 Volume 4 Science Science

  15. FY 2013 Volume 2

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

    2 Volume 2 f Department of Energy FY 2013 Congressional B d R Budget Request Other Defense Activities Departmental Administration Inspector General Working Capital F nd Working Capital Fund Safeguards and Security Crosscut Pensions February 2012 Office of Chief Financial Officer Volume 2 DOE/CF-0072 Volume 2 f Department of Energy FY 2013 Congressional B d R Budget Request Other Defense Activities Departmental Administration Inspector General Working Capital F nd Working Capital Fund Safeguards

  16. FY 2013 Volume 4

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

    4 DOE/CF-0074 Volume 4 Science Advanced Research Projects Agency-Energy Department of Energy FY 2013 Congressional Budget Request February 2012 Office of Chief Financial Officer Volume 4 DOE/CF-0074 Volume 4 Science Advanced Research Projects Agency-Energy Printed with soy ink on recycled paper Department of Energy FY 2013 Congressional Budget Request Science Advanced Research Projects Agency- Energy Science Advanced Research Projects Agency- Energy Department of Energy/Science/ Advanced

  17. FY 2013 Volume I

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

    1 DOE/CF-0071 Volume 1 National Nuclear Security Administration Office of the Administrator Weapons Activities Defense Nuclear Nonproliferation Naval Reactors Department of Energy FY 2013 Congressional Budget Request February 2012 Office of Chief Financial Officer Volume 1 DOE/CF-0071 Volume 1 National Nuclear Security Administration Office of the Administrator Weapons Activities Defense Nuclear Nonproliferation Naval Reactors Printed with soy ink on recycled paper Department of Energy FY 2013

  18. Dedicated Max-Planck beamline for the in situ investigation of interfaces and thin films

    SciTech Connect (OSTI)

    Stierle, A.; Steinhaeuser, A.; Ruehm, A.; Renner, F.U.; Weigel, R.; Kasper, N.; Dosch, H.

    2004-12-01

    A dedicated beamline for the Max-Planck-Institut fuer Metallforschung was recently taken into operation at the Angstroemquelle Karlsruhe (ANKA). Here we describe the layout of the beamline optics and the experimental end-station, consisting of a heavy duty multiple circle diffractometer. For both a new design was realized, combining a maximum flexibility in the beam properties [white, pink (focused) monochromatic, energy range 6-20 keV] with a special diffractometer for heavy sample environments up to 500 kg, that can be run in different geometrical modes. In addition the angular-reciprocal space transformations for the diffractometer in use are derived, which allows an operation of the instrument in the convenient six circle mode. As an example, results from surface x-ray diffraction on a Cu{sub 3}Au(111) single crystal are presented.

  19. 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.

  20. FY 2012 Volume 6

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

    2 Volume 6 Department of Energy FY 2012 Congressional Budget Request Power Marketing Administrations Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Western Area Power Administration Bonneville Power Administration February 2011 Office of Chief Financial Officer Volume 6 Printed with soy ink on recycled paper Southeastern Power Administration Southwestern Power Administration Western Area Power Administration Bonneville Power Administration

  1. FY 2005 Volume 2

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

    3 Volume 2 February 2004 Volume 2 Office of Management, Budget and Evaluation/CFO Other Defense Activities Other Defense Activities Energy Security and Assurance Energy Security and Assurance Security Security Independent Oversight & Performance Assurance Independent Oversight & Performance Assurance Civilian Radioactive Waste Management Civilian Radioactive Waste Management Environment, Safety & Health Environment, Safety & Health Legacy Management Legacy Management Nuclear

  2. FY 2005 Volume 3

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

    4 Volume 3 February 2004 Volume 3 Office of Management, Budget and Evaluation/CFO Energy Supply Energy Supply Energy Efficiency and Renewable Energy Energy Efficiency and Renewable Energy Electric Transmission and Distribution Electric Transmission and Distribution Nuclear Energy Nuclear Energy Civilian Radioactive Waste Management Civilian Radioactive Waste Management Environment, Safety & Health Environment, Safety & Health Future Liabilities Future Liabilities Legacy Management Legacy

  3. FY 2005 Volume 5

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

    6 Volume 5 Environmental Management Environmental Management Defense Site Acceleration Completion Defense Site Acceleration Completion Defense Environmental Services Defense Environmental Services Non Non - - Defense Site Acceleration Completion Defense Site Acceleration Completion Non Non - - Defense Environmental Services Defense Environmental Services Uranium Enrichment Decontamination Uranium Enrichment Decontamination and Decommissioning Fund and Decommissioning Fund February 2004 Volume 5

  4. FY 2005 Volume 6

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

    7 Volume 6 Power Marketing Administrations Power Marketing Administrations Southeastern Power Administration Southeastern Power Administration Southwestern Power Administration Southwestern Power Administration Western Area Power Administration Western Area Power Administration Bonneville Power Administration Bonneville Power Administration February 2004 Volume 6 Office of Management, Budget and Evaluation/CFO Department of Energy Department of Energy FY 2005 Congressional Budget FY 2005

  5. 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 8731751167, 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

  6. Benzene metabolite levels in blood and bone marrow of B6C3F{sub 1} mice after low-level exposure

    SciTech Connect (OSTI)

    Bechtold, W.E.; Strunk, M.R.; Thornton-Manning, J.R.

    1995-12-01

    Studies at the Inhalation Toxicology Research Institute (ITRI) have explored the species-specific uptake and metabolism of benzene. Results have shown that metabolism is dependent on both dose and route of administration. Of particular interest were shifts in the major metabolic pathways as a function of exposure concentration. In these studies, B6C3F{sub 1} mice were exposed to increasing levels of benzene by either gavage or inhalation. As benzene internal dose increased, the relative amounts of muconic acid and hydroquinone decreased. In contrast, the relative amount of catechol increased with increasing exposure. These results show that the relative levels of toxic metabolites are a function of exposure level. Based on these results and assuming a linear relationship between exposure concentration and levels of bone marrow metabolites, it would be difficult to detect an elevation of any phenolic metabolites above background after occupational exposures to the OSHA Permissible Exposure Limit of 1 ppm benzene.

  7. A pilot-scale field study on the anaerobic biotreatment of soil impacted with highly chlorinated benzenes

    SciTech Connect (OSTI)

    Ramanand, K.; Foulke, B.; Delnicki, W.A.; Ying, A.C.; Baek, N.H.; Coats, M.L.; Duffy, J.J.

    1995-12-31

    An on-site pilot-scale demonstration of anaerobic biodegradation of highly chlorinated benzenes was successfully performed at a chemical manufacturing industrial facility in Niagara Falls, New York. The field investigation was conducted in 6-yd{sup 3} capacity soil boxes. Approximately 4 yd{sup 3} of soil impacted with chlorinated compounds was placed in each soil box. Chlorinated benzenes with 3 or more chlorines accounted for about 85% of the total chemistry in the soil. The soil box amended with water, nutrients, and acclimated soil microbial inoculum exhibited greater than 78% reduction in the levels of highly chlorinated compounds after one year of field study. The total concentrations of hexa-, penta-, tetra-, and trichlorobenzenes decreased from 920 mg/kg to less than 190 mg/kg, while the total concentrations of di-, and monochlorobenzene increased from 8 mg/kg to greater than 400 mg/kg during one year of field operation. The control soil that did not receive any external nutrient or microbial amendments maintained the same percentage of the highly chlorinated benzenes after one year and di-, and monochlorobenzene never exceeded more than 4 mg/kg at any given time period. The anaerobic activity was further confirmed by monitored parameters such as nutrient consumption (butyrate, nitrogen, organic matter), sulfate depletion, and methane production.

  8. FY 2006 Volume 3

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

    Energy Supply Energy Efficiency and Renewable Energy Electric Transmission and Distribution Nuclear Energy Environment, Safety & Health Legacy Management Office of Management, Budget and Evaluation/CFO Volume 3 February 2005 DOE/ME-0048 Volume 3 Department of Energy FY 2006 Congressional Budget Request Energy Supply Energy Efficiency and Renewable Energy Electric Transmission and Distribution Nuclear Energy Environment, Safety & Health Legacy Management Office of Management, Budget and

  9. Volume 4 | Department of Energy

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

    Volume 4 Volume 4 Volume_4.pdf (3.89 MB) More Documents & Publications Before the House Committee on Space, Science, and Technology Office of Science User Facilities DOE Exascale Initiative

  10. Benchmark Theoretical Study of the π–π 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-ζ quality, observing that both its intra- and inter-molecular parts have practically converged with the triple-ζ 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

  11. 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.

  12. Viability Assessment Volume 5

    SciTech Connect (OSTI)

    DOE,

    1998-12-01

    This volume presents a management summary of the cost estimate to complete the design, and to license, construct, operate, monitor, close, and decommission a Monitored Geologic Repository at Yucca Mountain in Nevada. This volume summarizes the scope, estimating methodologies, and assumptions used in development of the Monitored Geologic Repository-VA cost estimate. It identifies the key features necessary to understand the summary costs presented herein. This cost summary derives from a larger body of documented cost analysis. Volume 5 is organized to reflect this structured approach to cost estimation and contains the following sections: Section 1, Cost Elements. This section briefly defines the components of each major repository cost element. Section 2, Project Phases. This section presents the definition, as used in the estimate, of five project phases (Licensing, Pre-emplacement Construction, Emplacement Operations, Monitoring, and Closure and Decommissioning) and the schedule dates for each phase. It also contains major milestone dates and a bar chart schedule. Section 3, Major Assumptions. This section identifies key high-level assumptions for the cost estimate basis. Additional detailed assumptions are included in the appendices. Section 4, Integrated Cost Summary. This section presents a high-level roll-up of the VA costs resulting from the estimating work. The tables and figures contained in this section were compiled from the more detailed cost estimates in the appendices. Section 5, References. This section identifies the references that support this cost volume. Appendices. For each major repository cost element, Appendices B-F [B, C, D, E, F] presents additional information on the scope of cost elements, identifies methodologies used to develop the cost estimates, lists underlying cost assumptions, and tabulates summary results. Appendix A contains a glossary to assist the reader in understanding the terminology in Volume 5. Appendix G presents costs

  13. 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

  14. FY 2012 Volume 2

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

    8 Volume 2 f Department of Energy FY 2012 Congressional B d R Budget Request Other Defense Activities Other Defense Activities Departmental Administration Inspector General Advanced Technology Vehicles Manufacturing Loan Program Title 17 Innovative Technology Loan Guarantee Program Better Building Pilot Loan Guarantee Initiative for Universities Schools and Hospitals Universities, Schools, and Hospitals Working Capital Fund Energy Information Administration Safeguards and Security Crosscut

  15. FY 2005 Volume 7

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

    8 Volume 7 Interior & Related Agencies Interior & Related Agencies Fossil Energy Research & Development Fossil Energy Research & Development Naval Petroleum & Oil Shale Reserves Naval Petroleum & Oil Shale Reserves Elk Hills School Lands Fund Elk Hills School Lands Fund Energy Conservation Energy Conservation Economic Regulation Economic Regulation Strategic Petroleum Reserve Strategic Petroleum Reserve Energy Information Administration Energy Information Administration

  16. 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.

  17. FY 2013 Volume 3

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

    3 DOE/CF-0073 Volume 3 Printed with soy ink on recycled paper Department of Energy FY 2013 Congressional Budget Request Energy Efficiency and Renewable Energy Electricity Delivery and Energy Reliability Nuclear Energy Fossil Energy Research and Development Naval Petroleum and Oil Shale Reserves Strategic Petroleum Reserve Northeast Home Heating Oil Reserve Ultra-Deepwater Unconventional Natural Gas Elk Hills Lands Fund Advanced Tech. Vehicle Manufacturing Loan Program Title 17 Innovative Tech.

  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 metalbenzene 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 metalorganic reaction chemistry.

  19. 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.

  20. THE RELATIONSHIP BETWEEN {nu}{sub max} AND AGE t FROM ZAMS TO RGB-TIP FOR LOW-MASS STARS

    SciTech Connect (OSTI)

    Tang, Y. K.; Gai, N. E-mail: ning.gai@hotmail.com

    2013-07-10

    Stellar age is an important quantity in astrophysics, which is useful for many fields both in the universe and galaxies. It cannot be determined by direct measurements, but can only be estimated or inferred. We attempt to find a useful indicator of stellar age, which is accurate from the zero-age main sequence to the tip of red giant branch for low-mass stars. Using the Yale Rotation and Evolution Code (YREC), a grid of stellar models has been constructed. Meanwhile, the frequency of maximum oscillations' power {nu}{sub max} and the large frequency separation {Delta}{nu} are calculated using the scaling relations. For the stars, the masses of which are from 0.8 M{sub Sun} to 2.8 M{sub Sun }, we can obtain the {nu}{sub max} and stellar age by combing the scaling relations with the four sets of grid models (YREC, Dotter et al., Marigo et al., and YY isochrones). We find that {nu}{sub max} is tightly correlated and decreases monotonically with the age of the star from the main sequence to the red giant evolutionary stages. Moreover, we find that the line shapes of the curves in the Age versus {nu}{sub max} diagram, which is plotted by the four sets of grid models, are consistent for red giants with masses from 1.1 M{sub Sun} to 2.8 M{sub Sun }. For red giants, the differences of correlation coefficients between Age and {nu}{sub max} for different grid models are minor and can be ignored. Interestingly, we find two peaks that correspond to the subgiants and bump of red giants in the Age versus {nu}{sub max} diagram. By general linear least-squares, we make the polynomial fitting and deduce the relationship between log(Age) and log({nu}{sub max}) in red giants' evolutionary state.

  1. Diffusion of Ag, Au and Cs implants in MAX phase Ti3SiC2 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Additional Journal Information: Journal Volume: 462; Journal Issue: C; Journal ID: ISSN 0022-3115 Publisher: Elsevier Sponsoring Org: USDOE Office of Science (SC), Biological and ...

  2. 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).

  3. Petroleum Supply Annual, Volume 1

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

    Petroleum & Other Liquids Reports Petroleum Supply Annual, Volume 1 With Data for 2014 | Release Date: September 25, 2015 | Next Release Date: September 2016 Previous Issues Year: 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2001 2000 1999 1998 1997 1996 1995 Go Volume 1 - Final annual data for the supply and disposition of crude oil and petroleum products. Volume 1 Tables All Tables All Tables Detailed Statistics Tables National Statistics 1 U.S. Supply, Disposition, and

  4. 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.

  5. Petroleum Supply Annual, Volume 2

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

    Annual, Volume 2 With Data for 2014 | Release Date: September 25, 2015 | Next Release Date: September 2016 Previous Issues Year: 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2001 2000 1999 1998 1997 1996 1995 Go Volume 2 - Final monthly statistics for the supply and disposition of crude oil and petroleum products. Volume 2 Tables All Tables All Tables Detailed Statistics Tables National Statistics 1 U.S. Supply, Disposition, and Ending Stocks of Crude Oil and Petroleum

  6. 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.

  7. Spectroscopic study on deuterated benzenes. II. High-resolution laser spectroscopy and rotational structure in the S{sub 1} state

    SciTech Connect (OSTI)

    Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki; Hayashi, Masato; Hasegawa, Hirokazu; Ohshima, Yasuhiro

    2015-12-28

    High-resolution spectra of the S{sub 1}←S{sub 0} transition in jet-cooled deuterated benzenes were observed using pulse dye amplification of single-mode laser light and mass-selective resonance enhanced multiphoton ionization (REMPI) detection. The vibrational and rotational structures were accurately analyzed for the vibronic levels in the S{sub 1} state. The degenerate 6{sup 1} levels of C{sub 6}H{sub 6} or C{sub 6}D{sub 6} are split into 6a{sup 1} and 6b{sup 1} in many of deuterated benzenes. The rigid-rotor rotational constants were assessed and found to be slightly different between 6a and 6b because of different mean molecular structures. Their rotational levels are significantly shifted by Coriolis interactions. It was found that the Coriolis parameter proportionally changed with the number of substituted D atoms.

  8. 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.

  9. Benzene exposure in the petroleum distribution industry associated with leukemia in the United Kingdom: Overview of the methodology of a case-control study

    SciTech Connect (OSTI)

    Rushton, L.

    1996-12-01

    This paper describes basic principles underlying the methodology for obtaining quantitative estimates of benzene exposure in the petroleum marketing and distribution industry. Work histories for 91 cases of leukemia and 364 matched controls (4 per case) identified for a cohort of oil distribution workers up to the end of 1992 were obtained, primarily from personnel records. Information on the distribution sites, more than 90% of which were closed at the time of data collection, was obtained from site visits and archive material. Industrial hygiene measurements measured under known conditions were assembled for different tasks. These were adjusted for conditions where measured data were not available using variables known to influence exposure, such as temperature, technology, percentage of benzene in fuel handled, products handled, number of loads, and job activity. A quantitative estimate of dermal contact and peak exposure was also made. 20 refs., 1 fig., 3 tabs.

  10. 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.

  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. 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.

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  15. 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 ...

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

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

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

  17. 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 ...

  18. High air volume to low liquid volume aerosol collector

    DOE Patents [OSTI]

    Masquelier, Donald A.; Milanovich, Fred P.; Willeke, Klaus

    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.

  19. 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)

  20. PATRAM '80. Proceedings. Volume 2

    SciTech Connect (OSTI)

    Huebner, H.W.

    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)

  1. VOLUME

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

    role in the fluctuation structure. These experiments also report that the sign of the flux can actually reverse in the region of the shear flow, an effect not predicted by the...

  2. Volumes

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

    39,569.3 40,215.9 122,708.5 26,876.5 189,800.8 10,466.7 10,604.8 10,129.5 14,302.8 - 24,432.4 February ... 40,637.5 41,953.1 43,328.9 133,687.6...

  3. Volumes

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

    W W 843.8 W W 2,188.3 W W 193.2 133.6 - 326.8 November ... W W 818.4 1,151.9 NA 1,984.1 W W 189.5 127.0 - 316.5 December ... W W W...

  4. Volumes

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

    W 2,734.4 W W W W - 243.3 May ... W W 898.3 W W 2,818.3 W W W W - 255.4 June ... W W 919.7 W W 2,841.1 W W...

  5. Volumes

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

    13,752.8 14,204.9 16,837.5 52,025.3 9,480.0 78,342.8 2,675.9 2,738.6 2,823.0 4,995.6 - 7,818.6 August ... 13,908.8 14,400.4 17,863.9 53,248.7 8,114.1...

  6. VOLUME

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

    8, NUMBER 18 P H Y S I C A L R E V I E W L E T T E R S 6 MAY 2002 Measurement of the Current-Density Profile and Plasma Dynamics in the Reversed-Field Pinch D. L. Brower, W. X. Ding, and S. D. Terry Electrical Engineering Department, University of California at Los Angeles, Los Angeles, California 90095 J. K. Anderson, T. M. Biewer, B. E. Chapman, D. Craig, C. B. Forest, S. C. Prager, and J. S. Sarff Physics Department, University of Wisconsin - Madison, Madison, Wisconsin 53706 (Received 29

  7. VOLUME

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

    Reduced Edge Instability and Improved Confinement in the MST Reversed-Field Pinch B. E. Chapman, 1, * J. K. Anderson, 1 T. M. Biewer, 1 D. L. Brower, 2 S. Castillo, 1 P. K. Chattopadhyay, 1 C.-S. Chiang, 1 D. Craig, 1 D. J. Den Hartog, 1 G. Fiksel, 1 P. W. Fontana, 1 C. B. Forest, 1 S. Gerhardt, 1 A. K. Hansen, 1 D. Holly, 1 Y. Jiang, 2 N. E. Lanier, 1 S. C. Prager, 1 J. C. Reardon, 1 and J. S. Sarff 1 1 University of Wisconsin, Madison, Wisconsin 53706 2 University of California, Los Angeles,

  8. VOLUME

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

    3 P H Y S I C A L R E V I E W L E T T E R S 17 JULY 2000 Spectroscopic Observation of Fluctuation-Induced Dynamo in the Edge of the Reversed-Field Pinch P. W. Fontana, D. J. Den Hartog, G. Fiksel, and S. C. Prager Department of Physics, University of Wisconsin - Madison, Madison, Wisconsin 53706 (Received 29 October 1999) The fluctuation-induced dynamo ͗ ~ v 3 ~ b͘ has been investigated by direct measurement of ~ v and ~ b in the edge of a reversed-field pinch and is found to be significant in

  9. VOLUME

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

    0 P H Y S I C A L R E V I E W L E T T E R S 4 SEPTEMBER 2000 Control of Density Fluctuations and Electron Transport in the Reversed-Field Pinch N. E. Lanier, D. Craig, J. K. Anderson, T. M. Biewer, B. E. Chapman, D. J. Den Hartog, C. B. Forest, and S. C. Prager Department of Physics, University of Wisconsin-Madison, Madison, Wisconsin 53706 D. L. Brower and Y. Jiang Department of Electrical Engineering, University of California at Los Angeles, Los Angeles, California 90095-1594 (Received 24

  10. VOLUME

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

    Evidence of Stabilization in the Z-Pinch U. Shumlak, R. P. Golingo, and B. A. Nelson University of Washington, Aerospace and Energetics Research Program, Seattle, Washington 98195-2250 D. J. Den Hartog* Sterling Scientific, Inc., Madison, Wisconsin (Received 11 June 2001; published 29 October 2001) Theoretical studies have predicted that the Z-pinch can be stabilized with a sufficiently sheared axial flow [U. Shumlak and C. W. Hartman, Phys. Rev. Lett. 75, 3285 (1995)]. A Z-pinch experiment is

  11. VOLUME

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

    9, NUMBER 10 P H Y S I C A L R E V I E W L E T T E R S 8 SEPTEMBER 1997 Enhanced ... Particle content increases and H a radiation decreases upon application of bias and global ...

  12. VOLUME

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

    PPCD. The transition of the fluctuation to its low value coincides with a small saw- tooth in this and many improved PPCD plasmas. This is probably related to an abrupt but...

  13. VOLUME

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

    in a typical MST discharge. the cause of the sudden changes in rotation during saw- tooth crashes. First, we measure correlated triple products of three modes, and observe that...

  14. VOLUME

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

    point in the profiles presented below is an en- semble average of time-averaged data from 10-30 similar discharges. The time windows are of varying length, cho- sen to avoid...

  15. 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.

  16. 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.

  17. 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

  18. Managing natural gas volume analysis

    SciTech Connect (OSTI)

    Parker, J. ); Treat, R. ); Bergen, H. )

    1994-07-01

    In late 1992, Natural Gas Pipeline Co. of America and BMP Energy Systems began the joint development of a system for the automated verification and statistical correction of gas volume data captured at meter locations by flow computers. NGPL required a single system that would provide functionality for both chart processing and automated EFM data validation and correction. The pipeline company was looking for a vendor that would help develop a system to handle EFM data. The NGAS 4[trademark] system implemented at NGPL made the bridge from monthly to daily gas volume processing. The automated and rapid validation of flow data within the NGAS 4 system minimizes human intervention for validation and correction. NGPL has moved from reliance on paper chart processing to the EFM capability required in the evolving US gas market.

  19. 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.

  20. 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.; Alf, 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.

  1. 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.

  2. 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 Mller-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.

  3. Correlating Extent of PtNi 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.

  4. Volume International: Order (2014-CE-32014)

    Broader source: Energy.gov [DOE]

    DOE ordered Volume International Corporation to pay a $8,000 civil penalty after finding Volume International had failed to certify that certain models of ceiling fans comply with the applicable energy conservation standards.

  5. 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.

  6. Renewable Electricity Futures Study - Volume One

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

    Hand, Maureen; Mai, Treui; Baldwin, Sam; Brinkman, Greg; Sandor, Debbie; Denholm, Paul; Heath, Garvin; Wiser, Ryan

    2016-06-01

    Renewable Electricity Futures Study - Volume One. This is part of a series of four volumes describing exploring a high-penetration renewable electricity future for the United States of America. This data set is provides data for the entire volume one document and includes all data for the charts and graphs included in the document.

  7. Environmental Report 1995. Volume 1

    SciTech Connect (OSTI)

    Harrach, R.J.; Failor, R.A.; Gallegos, G.M.

    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. Product Guide Category Prices Volumes

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

    Product Guide Category Prices Volumes Crude oil Refiner acqusistion cost 1,1A - Domestic first purchases 1 - from selected states 18 - by API gravity 20 - for selected crude streams 19 - Imports F.O.B. cost 1 - from selected states 21 - by API gravity 23 - for selected crude streams 26 - Landed costs 1 - from selected states 22 - by API gravity 24 - for selected crude streams 27 - Percentage by gravity band 25 - - Motor gasoline all sellers 28 - refiners 2,4,6,31 3,5,7,39,40 prime suppliers - 45

  9. 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.

  10. 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.

  11. 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.

  12. Volume efficient sodium sulfur battery

    DOE Patents [OSTI]

    Mikkor, Mati

    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.

  13. Path integral Monte Carlo simulations of H{sub 2} adsorbed to lithium-doped benzene: A model for hydrogen storage materials

    SciTech Connect (OSTI)

    Lindoy, Lachlan P.; Kolmann, Stephen J.; D’Arcy, Jordan H.; Jordan, Meredith J. T.; Crittenden, Deborah L.

    2015-11-21

    Finite temperature quantum and anharmonic effects are studied in H{sub 2}–Li{sup +}-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H{sub 2}. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of the center-of-mass of the H{sub 2} molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔU{sub ads}, and enthalpy, ΔH{sub ads}, for H{sub 2} adsorption onto Li{sup +}-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling—coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H{sub 2}–Li{sup +}-benzene are the “helicopter” and “ferris wheel” H{sub 2} rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔU{sub ads} and ΔH{sub ads} are −13.3 ± 0.1 and −14.5 ± 0.1 kJ mol{sup −1}, respectively.

  14. 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 (Schlfli) symbol of (4,8{sup 2}). Complexes 3 and 6 are 2D networks, 4 is a 3-fold interpenetrating 3D framework with Point (Schlfli) symbol of (6{sup 5},8) and 5 is a (3,8)-connected 2D network with Point (Schlfli) 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 Schlfli 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 24 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.

  15. 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 -...

  16. X{sub max}{sup μ} vs. N{sup μ} from extensive air showers as estimator for the mass of primary UHECR's. Application for the Pierre Auger Observatory

    SciTech Connect (OSTI)

    Arsene, Nicusor; Sima, Octavian

    2015-02-24

    We study the possibility of primary mass estimation for Ultra High Energy Cosmic Rays (UHECR's) using the X{sub max}{sup μ} (the height where the number of muons produced on the core of Extensive Air Showers (EAS) is maximum) and the number N{sup μ} of muons detected on ground. We use the 2D distribution - X{sub max}{sup μ} against N{sup μ} in order to find its sensitivity to the mass of the primary particle. For that, we construct a 2D Probability Function Prob(p,Fe | X{sub max}{sup μ}, N{sup μ}) which estimates the probability that a certain point from the plane (X{sub max}{sup μ}, N{sup μ}) corresponds to a shower induced by a proton, respectively an iron nucleus. To test the procedure, we analyze a set of simulated EAS induced by protons and iron nuclei at energies of 10{sup 19}eV and 20° zenith angle with CORSIKA. Using the Bayesian approach and taking into account the geometry of the infill detectors from the Pierre Auger Observatory, we observe an improvement in the accuracy of the primary mass reconstruction in comparison with the results obtained using only the X{sub max}{sup μ} distributions.

  17. 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.

  18. 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 = 58) is investigated by density functional theory. For n = 68, 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.

  19. Ironmaking conference proceedings. Volume 54

    SciTech Connect (OSTI)

    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.

  20. Information architecture. Volume 3: Guidance

    SciTech Connect (OSTI)

    1997-04-01

    The purpose of this document, as presented in Volume 1, The Foundations, is to assist the Department of Energy (DOE) in developing and promulgating information architecture guidance. This guidance is aimed at increasing the development of information architecture as a Departmentwide management best practice. This document describes departmental information architecture principles and minimum design characteristics for systems and infrastructures within the DOE Information Architecture Conceptual Model, and establishes a Departmentwide standards-based architecture program. The publication of this document fulfills the commitment to address guiding principles, promote standard architectural practices, and provide technical guidance. This document guides the transition from the baseline or defacto Departmental architecture through approved information management program plans and budgets to the future vision architecture. This document also represents another major step toward establishing a well-organized, logical foundation for the DOE information architecture.

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

    SciTech Connect (OSTI)

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

    2014-11-14

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

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

    SciTech Connect (OSTI)

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

    2013-12-21

    Quantum and anharmonic effects are investigated in H{sub 2}-Li{sup +}-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials. Three- and 8-dimensional quantum diffusion Monte Carlo (QDMC) and rigid-body diffusion Monte Carlo (RBDMC) simulations are performed on potential energy surfaces interpolated from electronic structure calculations at the M05-2X/6-31+G(d,p) and M05-2X/6-311+G(2df,p) levels of theory using a three-dimensional spline or a modified Shepard interpolation. These calculations investigate the intermolecular interactions in this system, with three- and 8-dimensional 0 K H{sub 2} binding enthalpy estimates, ?H{sub bind} (0 K), being 16.5 kJmol{sup ?1} and 12.4 kJmol{sup ?1}, respectively: 0.1 and 0.6 kJmol{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 kJmol{sup ?1}. Harmonic intermolecular binding enthalpies can be corrected by treating the H{sub 2} helicopter and ferris wheel rotations as free and hindered rotations, respectively. These simple corrections yield results within 2% of the 8-dimensional anharmonic calculations. Nuclear ground state probability density histograms obtained from the QDMC and RBDMC simulations indicate the H{sub 2} molecule is delocalized above the Li{sup +}-benzene system at 0 K.

  3. 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 (B₃N₃H₆) 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

  4. 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 piston to crankshaft travel. deer08_joniec.pdf (88.76 KB) More Documents & Publications Utilizing the Rapid Ignition Region of HCCI to Attain > 60% BTE 50% thermo-mechanical efficiency utilizing a free-piston engine in Hybrid vehicles DOE-HDBK-1018/1-93

  5. 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}).

  6. Surface and Volume Contamination | Department of Energy

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

    Surface and Volume Contamination Surface and Volume Contamination (Questions Posted to ERAD in May 2012) Will there be volume contamination/activation guides as well as updated contamination guides? The only guidance being developed for volumetric contamination is a Technical Standard for accelerator facilities. However, a revised version of ANSI N13.12-1999 is expected in the future and it will be assessed to determine its acceptability for use as a pre-approved authorized limit. It is noted

  7. PARC Periodical | Volume 6, Issue 5 | Photosynthetic Antenna Research

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

    Center Volume 6, Issue 5 June 3, 2015 PARC Periodical | Volume 6, Issue 5 VIEW ARTICLE HERE

  8. 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...

  9. 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.

  10. ,"Alabama Natural Gas Underground Storage Volume (MMcf)"

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

    Underground Storage Volume (MMcf)" ,"Click worksheet name or tab at bottom for data" ...dnavnghistn5030al2m.htm" ,"Source:","Energy Information Administration" ,"For Help, ...