National Library of Energy BETA

Sample records for benzene content aromatic

  1. 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.

  2. 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)

  3. Refractometric determination of content of aromatic hydrocarbons in AI-93 gasolines

    SciTech Connect (OSTI)

    Kuznetsova, L.M.; Ioffe, B.V.; Mikheeva, E.G.

    1982-11-01

    Investigates the possibility of extending the use of the dispersometric method to the control of aromatic hydrocarbon content in AI-93 gasolines. Uses 4 model blends with aromatics content of 20-40% by weight. Finds that the dispersometric method can be used in analyzing both unleaded and leaded AI-93 gasolines, since the addition of ethyl fluid and dye in formulating the leaded gasolines does not affect the accuracy in determining the aromatic hydrocarbon content. Concludes that the dispersometric method can be used to determine the aromatic hydrocarbon content in AI-93 gasolines to within + or - 1.0% by weight, both in the laboratory (IRF-23M refractometer) and under commercial conditions (in ''Nafta-74'' unit).

  4. 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.

  5. Make aromatics from LPG

    SciTech Connect (OSTI)

    Doolan, P.C. ); Pujado, P.R. )

    1989-09-01

    Liquefied petroleum gas (LPG) consists mainly of the propane and butane fraction recovered from gas fields, associated petroleum gas and refinery operations. Apart from its use in steam cracking and stream reforming, LPG has few petrochemical applications. The relative abundance of LPG and the strong demand for aromatics - benzene, toluene and xylenes (BTX) - make it economically attractive to produce aromatics via the aromatization of propane and butanes. This paper describes the Cyclar process, which is based on a catalyst formulation developed by BP and which uses UOP's CCR catalyst regeneration technology, converts propane, butanes or mixtures thereof to petrochemical-quality aromatics in a single step.

  6. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    1994-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  7. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    1993-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene to about the mid point of the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  8. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A.

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  9. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    1994-06-14

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a molecular sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  10. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    1993-09-07

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a molecular sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene to about the mid point of the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 figures.

  11. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  12. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    1993-01-01

    Aromatic compounds are alkylated in a combination reactor/distillation column comprising a vessel suitable for operating between 70.degree. C. and 500.degree. C. and from 0.5 to 20 atmospheres pressure; an inert distillation packing in the lower one-third of said vessel; solid acidic catalytic material such as zeolites or an acidic cation exchange resin supported in the middle one-third of said vessel; and inert distillation packing in the upper one-third of said vessel. A benzene inlet is located near the upper end of the vessel; an olefin inlet is juxtaposed with said solid acidic catalytic material; a bottoms outlet is positioned near the bottom of said vessel for removing said cumene and ethyl benzene; and an overhead outlet is placed at the top of said vessel for removing any unreacted benzene and olefin.

  13. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    1993-01-05

    Aromatic compounds are alkylated in a combination reactor/distillation column comprising a vessel suitable for operating between 70 C and 500 C and from 0.5 to 20 atmospheres pressure; an inert distillation packing in the lower one-third of said vessel; solid acidic catalytic material such as zeolites or an acidic cation exchange resin supported in the middle one-third of said vessel; and inert distillation packing in the upper one-third of said vessel. A benzene inlet is located near the upper end of the vessel; an olefin inlet is juxtaposed with said solid acidic catalytic material; a bottoms outlet is positioned near the bottom of said vessel for removing said cumene and ethyl benzene; and an overhead outlet is placed at the top of said vessel for removing any unreacted benzene and olefin.

  14. 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.

  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. Aromatic and polycyclic aromatic hydrocarbon formation in a laminar premixed n-butane flame

    SciTech Connect (OSTI)

    Marinov, N.M.; Pitz, W.J.; Westbrook, C.K.; Vincitore, A.M.; Castaldi, M.J.; Senkan, S.M.; Melius, C.F.

    1998-07-01

    Experimental and detailed chemical kinetic modeling work has been performed to investigate aromatic and polycyclic aromatic hydrocarbon (PAH) formation pathways in a premixed, rich, sooting, n-butane-oxygen-argon burner stabilized flame. An atmospheric pressure, laminar flat flame operated at an equivalence ratio of 2.6 was used to acquire experimental data for model validation. Gas composition analysis was conducted by an on-line gas chromatograph/mass spectrometer technique. Measurements were made in the main reaction and post-reaction zones for a number of low molecular weight species, aliphatics, aromatics, and polycyclic aromatic hydrocarbons (PAHs) ranging from two to five-fused aromatic rings. Reaction flux and sensitivity analysis were used to help identify the important reaction sequences leading to aromatic and PAH growth and destruction in the n-butane flame. Reaction flux analysis showed the propargyl recombination reaction was the dominant pathway to benzene formation. The consumption of propargyl by H atoms was shown to limit propargyl, benzene, and naphthalene formation in flames as exhibited by the large negative sensitivity coefficients. Naphthalene and phenanthrene production was shown to be plausibly formed through reactions involving resonantly stabilized cyclopentadienyl and indenyl radicals. Many of the low molecular weight aliphatics, combustion by-products, aromatics, branched aromatics, and PAHs were fairly well simulated by the model. Additional work is required to understand the formation mechanisms of phenyl acetylene, pyrene, and fluoranthene in the n-butane flame. 73 refs.

  17. 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.

  18. 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.

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

    SciTech Connect (OSTI)

    Castaldi, M.J.; Marinov, N.M.; Melius, C.F.

    1996-02-01

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

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

    SciTech Connect (OSTI)

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

    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.

  1. CONTENTS

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

    8.0 - HOISTING AND RIGGING IN HOSTILE ENVIRONMENTS February 18, 2010 Rev 1 Page 1 CHAPTER 18.0 TABLE OF CONTENTS TABLE OF CONTENTS..................................................................................................................................1 PAGINATION TABLE.....................................................................................................................................1 18.0 HOISTING AND RIGGING IN HOSTILE ENVIRONMENTS

  2. 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.

  3. CONTENTS

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

    3.0 - CRITICAL, SPECIAL, & ENGINEERED LIFTS January 4, 2016 Rev 1 Page 1 CHAPTER 3.0 TABLE OF CONTENTS 3.0 CRITICAL LIFTS ....................................................................................................................................... 3 3.1 SCOPE .......................................................................................................................................................... 3 3.2 CRITICAL LIFT DETERMINATION

  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. CONTENTS

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

    Volume 2, Sampling Technical Requirements Effective Date: 6/1/07 Vol. 2: i CONTENTS 1.0 SAMPLING AND ANALYSIS PROCESS .................................................................... 1-1 2.0 DATA QUALITY OBJECTIVES ................................................................................... 2-1 3.0 SAMPLING SYSTEMS .................................................................................................. 3-1 3.1 Facility Management

  6. CONTENTS

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

    Volume 4, Laboratory Technical Requirements Effective Date: 6/1/07 Vol. 4: i CONTENTS 1.0 QUALITY ASSURANCE OBJECTIVES......................................................................... 1-1 1.1 DATA QUALITY OBJECTIVES............................................................................ 1-1 1.2 CLIENT DATA QUALITY REQUIREMENTS ..................................................... 1-2 1.2.1 Precision

  7. 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.

  8. 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.

  9. Contents

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

    Program and Book of Abstracts Contents Organizers i-ii Detailed Program iii-viii Oral presentations 1-38 Posters P1-P27 Program Schematic back cover The LAPD Symposium brings together scientists from laser physics, low- temperature plasma chemistry and physics, and nuclear fusion. The Symposium is an important, unique, and fruitful source for cross-fertilization between these fields. Major topics include laser-aided diagnostics for fusion plasmas, industrial process plasmas, and environmental

  10. Contents

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

    8 August 2005 Contents Bechtel Nevada achieves 5 million hours! 1 WSI graduates fresh members of security 1 protective forces Handling radiation emergencies 2 SiteLines features a new editor 2 Rocky Flats survey 3 NTS Swift Water Rescue Team practices on the 3 Colorado River Drilling Program overcomes challenges at the NTS 3 Toastmasters: making effective communication a 4 worldwide reality Atomic Testing Museum update 4 Two more successful shots at JASPER 5 Hazardous Substance Inventory users 5

  11. Steam stripping of polycyclic aromatics from simulated high-level radioactive waste

    SciTech Connect (OSTI)

    Lambert, D.P.; Shah, H.B.; Young, S.R.; Edwards, R.E.; Carter, J.T.

    1992-12-31

    The Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS) will be the United States` first facility to process High Level radioactive Waste (HLW) into a borosilicate glass matrix. The removal of aromatic precipitates by hydrolysis, evaporation, liquid-liquid extraction and decantation will be a key step in the processing of the HLW. This step, titled the Precipitate Hydrolysis Process, has been demonstrated by the Savannah River Technology Center with the Precipitate Hydrolysis Experimental Facility (PHEF). The mission of the PHEF is to demonstrate processing of simulated high level radioactive waste which contains tetraphenylborate precipitates and nitrite. Aqueous washing or nitrite destruction is used to reduce nitrite. Formic acid with a copper catalyst is used to hydrolyze tetraphenylborate (TPB). The primary offgases are benzene, carbon dioxide, nitrous oxide, and nitric oxide. Hydrolysis of TPB in the presence of nitrite results in the production of polycyclic aromatics and aromatic amines (referred as high boiling organics) such as biphenyl, diphenylamine, terphenyls etc. The decanter separates the organic (benzene) and aqueous phase, but the high boiling organic separation is difficult. This paper focuses on the evaluation of the operating strategies, including steam stripping, to maximize the removal of the high boiling organics from the aqueous stream. Two areas were investigated, (1) a stream stripping comparison of the late wash flowsheet to the HAN flowsheet and (2) the extraction performance of the original decanter to the new decanter. The focus of both studies was to minimize the high boiling organic content of the Precipitate Hydrolysis Aqueous (PHA) product in order to minimize downstream impacts caused by organic deposition.

  12. Contents

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

    7 June/July 2005 Contents Fires burn Nevada Test Site in June NNSA/NSO and Department of Homeland Security break ground at the Nevada Test Site U1h ribbon cutting marks the remarkable New training grounds dedicated at NTS Changes enhance the EAP Unicorn subcritical experiment completes key milestone New communication system takes flight SiteLines goes online DNFSB visits U1a Funnel clouds at the Nevada Test Site Community Environmental Monitor receives EPA award Take Our Daughters and Sons to

  13. Variations in the structure of aromatic solvents under the influence of microadditives of the C{sub 60} fullerene

    SciTech Connect (OSTI)

    Ginzburg, B. M. Tuichiev, Sh.

    2007-02-15

    The structural ordering of aromatic solvents is investigated using wide-angle X-ray diffraction. It is shown that the degree of structural ordering of aromatic solvents at room temperature decreases in the following sequence: benzene, toluene, and n-xylene. The introduction of the C{sub 60} fullerene ({approx}0.001%) into these solvents leads to an increase in the degree of their ordering. Upon introduction of the fullerene, the degree of structural ordering increases significantly in n-xylene and only slightly in toluene and remains virtually unchanged in benzene. An analysis of the small-angle X-ray diffraction patterns of C{sub 60} fullerene solutions in benzene likewise demonstrates that the introduction of the fullerene into benzene leads to an insignificant change in the degree of structural ordering of this solvent. The specific features of the structure and behavior of benzene upon interaction with C{sub 60} fullerene additives are discussed.

  14. Aromatics oxidation and soot formation in flames

    SciTech Connect (OSTI)

    Howard, J.B.; Pope, C.J.; Shandross, R.A.; Yadav, T.

    1993-12-01

    This project is concerned with the kinetics and mechanisms of aromatics oxidation and soot and fullerenes formation in flames. The scope includes detailed measurements of profiles of stable and radical species concentrations in low-pressure one-dimensional premixed flames. Intermediate species identifications and mole fractions, fluxes, and net reaction rates calculated from the measured profiles are used to test postulated reaction mechanisms. Particular objectives are to identify and to determine or confirm rate constants for the main benzene oxidation reactions in flames, and to characterize fullerenes and their formation mechanisms and kinetics.

  15. 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)

  16. Chemistry of Furan Conversion into Aromatics and Olefins over HZSM-5: A Model Biomass Conversion Reaction

    SciTech Connect (OSTI)

    Cheng, Yu-Ting; Huber, George W.

    2011-06-03

    The conversion of furan (a model of cellulosic biomass) over HZSM-5 was investigated in a thermogravimetric analysismass spectrometry system, in situ Fourier transform infrared analysis, and in a continuous-flow fixed-bed reactor. Furan adsorbed as oligomers at room temperature with a 1.73 of adsorbed furan/Al ratio. These oligomers were polycyclic aromatic compounds that were converted to CO, CO?, aromatics, and olefins at temperatures from 400 to 600 C. Aromatics (e.g., benzene, toluene, and naphthalene), oligomer isomers (e.g., benzofuran, 2,2-methylenebisfuran, and benzodioxane), and heavy oxygenates (C??{sub +} oligomers) were identified as intermediates formed inside HZSM-5 at different reaction temperatures. During furan conversion, graphite-type coke formed on the catalyst surface, which caused the aromatics and olefins formation to deactivate within the first 30 min of time on-stream. We have measured the effects of space velocity and temperature for furan conversion to help us understand the chemistry of biomass conversion inside zeolite catalysts. The major products for furan conversion included CO, CO?, allene, C?C? olefins, benzene, toluene, styrene, benzofuran, indene, and naphthalene. The aromatics (benzene and toluene) and olefins (ethylene and propylene) selectivity decreased with increasing space velocity. Unsaturated hydrocarbons such as allene, cyclopentadiene, and aromatics selectivity increased with increasing space velocity. The product distribution was selective to olefins and CO at high temperatures (650 C) but was selective to aromatics (benzene and toluene) at intermediate temperatures (450600 C). At low temperatures (450 C), benzofuran and coke contributed 60% of the carbon selectivity. Several different reactions were occurring for furan conversion over zeolites. Some important reactions that we have identified in this study include DielsAlder condensation (e.g., two furans form benzofuran and water), decarbonylation (e

  17. 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.

  18. Reduction of Aromatic Hydrocarbons by Zero-Valent Iron and Palladium Catalyst

    SciTech Connect (OSTI)

    Kim, Young-Hun; Shin, Won Sik; Ko, Seok-Oh; Kim, Myung-Chul

    2004-03-31

    Permeable reactive barrier (PRB) is an alternative technology for soil and groundwater remediation. Zero valent iron, which is the most popular PRB material, is only applicable to halogenated aliphatic organics and some heavy metals. The objective of this study was to investigate reductive dechlorination of halogenated compounds and reduction of non-halogenated aromatic hydrocarbons using zero valent metals (ZVMs) and catalysts as reactive materials for PRBs. A group of small aromatic hydrocarbons such as monochlorophenols, phenol and benzene were readily reduced with palladium catalyst and zero valent iron. Poly-aromatic hydrocarbons (PAHs) were also tested with the catalysts and zero valent metal combinations. The aromatic rings were reduced and partly reduced PAHs were found as the daughter compounds. The current study demonstrates reduction of aromatic compounds by ZVMs and modified catalysts and implicates that PRB is applicable not only for halogenated organic compounds but nonhalogenated aromatic compounds such as PAHs.

  19. 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.

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

    SciTech Connect (OSTI)

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

    2010-03-11

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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Aromatic molecules as spintronic devices

    SciTech Connect (OSTI)

    Ojeda, J. H.; Orellana, P. A.; Laroze, D.

    2014-03-14

    In this paper, we study the spin-dependent electron transport through aromatic molecular chains attached to two semi-infinite leads. We model this system taking into account different geometrical configurations which are all characterized by a tight binding Hamiltonian. Based on the Green's function approach with a Landauer formalism, we find spin-dependent transport in short aromatic molecules by applying external magnetic fields. Additionally, we find that the magnetoresistance of aromatic molecules can reach different values, which are dependent on the variations in the applied magnetic field, length of the molecules, and the interactions between the contacts and the aromatic molecule.

  7. 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.

  8. 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...

  9. 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.

  10. Synthetic fuel aromaticity and staged combustion

    SciTech Connect (OSTI)

    Longanbach, J. R.; Chan, L. K.; Levy, A.

    1982-11-15

    Samples of middle and heavy SRC-II distillates were distilled into 50 C boiling point range fractions. These were characterized by measurements of their molecular weight, elemental analysis and basic nitrogen content and calculation of average molecular structures. The structures typically consisted of 1 to 3 aromatic rings fused to alicyclic rings with short, 1 to 3 carbon aliphatic side chains. The lower boiling fractions contained significant amounts (1 atom/molecule) of oxygen while the heavier fractions contained so few heteroatoms that they were essentially hydrocarbons. Laboratory scale oxidative-pyrolysis experiments were carried out at pyrolysis temperatures of 500 to 1100 C and oxygen concentrations from 0 to 100 percent of stoichiometry. Analysis of liquid products, collected in condensers cooled with liquid nitrogen showed that aromatization is a major reaction in the absence of oxygen. The oxygen-containing materials (phenolics) seem to be more resistant to thermal pyrolysis than unsubstituted aromatics. Nitrogen converts from basic to nonbasic forms at about 500 C. The nonbasic nitrogen is more stable and survives up to 700 C after which it is slowly removed. A recently constructed 50,000 Btu/hr staged combustor was used to study the chemistry of the nitrogen and aromatics. SRC II combustion was studied under fuel-rich, first-stage conditions at air/fuel ratios from 0.6 to 1.0 times stoichiometric. The chemistry of the fuel during combustion calls for further investigation in order to examine the mechanism by which HCN is evolved as a common intermediate for the formation of the nitrogen-containing gaseous combustion products. 25 references, 45 figures, 25 tables.

  11. Ambient aromatic hydrocarbon measurements at Welgegund, South Africa

    SciTech Connect (OSTI)

    Jaars, K.; Beukes, J. P.; van Zyl, P. G.; Venter, A. D.; Josipovic, M.; Pienaar, J. J.; Vakkari, Ville; Aaltonen, H.; Laakso, H.; Kulmala, M.; Tiitta, P.; Guenther, Alex B.; Hellen, H.; Laakso, L.; Hakola, H.

    2014-07-11

    Aromatic hydrocarbons are associated with direct adverse human health effects and can have negative impacts on ecosystems due to their toxicity, as well as indirect negative effects through the formation of tropospheric ozone and secondary organic aerosol that affect human health, crop production and regional climate. Measurements were conducted at the Welgegund measurement station (South Africa) that is considered to be a regionally representative background site. However, the site is occasionally impacted by plumes from major anthropogenic source regions in the interior of South Africa, which include the western Bushveld Igneous Complex (e.g. platinum, base metal and ferrochrome smelters), the eastern Bushveld Igneous Complex (platinum and ferrochrome smelters), the Johannesburg-Pretoria metropolitan conurbation (>10 million people), the Vaal Triangle (e.g. petrochemical and industries), the Mpumalanga Highveld (e.g. coal-fired power plants and petrochemical industry) and also a region of anti-cyclonic recirculation of air mass over the interior of South Africa. The aromatic hydrocarbon measurements were conducted with an automated sampler on Tenax-TA and Carbopack-B adsorbent tubes with heated inlet for one year. Samples were collected twice a week for two hours during daytime and two hours 1 during night-time. A thermal desorption unit, connected to a gas chromatograph and a mass 2 selective detector was used for sample preparation and analysis. Results indicated that the 3 monthly median total aromatic hydrocarbon concentrations ranged between 0.01 to 3.1 ppb. 4 Benzene levels did not exceed local air quality standards. Toluene was the most abundant 5 species, with an annual median concentration of 0.63 ppb. No statistically significant 6 differences in the concentrations measured during daytime and night-time were found and no distinct seasonal patterns were observed. Air mass back trajectory analysis proved that the lack of seasonal cycles could be

  12. 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.

  13. LARGE ABUNDANCES OF POLYCYCLIC AROMATIC HYDROCARBONS IN TITAN'S UPPER ATMOSPHERE

    SciTech Connect (OSTI)

    Lopez-Puertas, M.; Funke, B.; Garcia-Comas, M.; Dinelli, B. M.; Adriani, A.; D'Aversa, E.; Moriconi, M. L.; Boersma, C.; Allamandola, L. J.

    2013-06-20

    In this paper, we analyze the strong unidentified emission near 3.28 {mu}m in Titan's upper daytime atmosphere recently discovered by Dinelli et al. We have studied it by using the NASA Ames PAH IR Spectroscopic Database. The polycyclic aromatic hydrocarbons (PAHs), after absorbing UV solar radiation, are able to emit strongly near 3.3 {mu}m. By using current models for the redistribution of the absorbed UV energy, we have explained the observed spectral feature and have derived the vertical distribution of PAH abundances in Titan's upper atmosphere. PAHs have been found to be present in large concentrations, about (2-3) Multiplication-Sign 10{sup 4} particles cm{sup -3}. The identified PAHs have 9-96 carbons, with a concentration-weighted average of 34 carbons. The mean mass is {approx}430 u; the mean area is about 0.53 nm{sup 2}; they are formed by 10-11 rings on average, and about one-third of them contain nitrogen atoms. Recently, benzene together with light aromatic species as well as small concentrations of heavy positive and negative ions have been detected in Titan's upper atmosphere. We suggest that the large concentrations of PAHs found here are the neutral counterpart of those positive and negative ions, which hence supports the theory that the origin of Titan main haze layer is located in the upper atmosphere.

  14. 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.

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

    SciTech Connect (OSTI)

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

    2010-11-05

    selected as a key compound for inclusion into numerical simulations. Note that considering additional organic compounds and/or mixtures of such compounds in the simulations was beyond the scope of this study, because of the effort required to research, calculate, and validate the phase-partitioning data necessary for simulations. The injection of CO{sub 2} into a deep saline aquifer was simulated, followed by modeling the leaching of benzene by SCC and transport of benzene to an overlying aquifer along a hypothetical leakage pathway. One- and two-dimensional models were set up for this purpose. The target storage formation was assumed to initially contain about 10{sup -4} ppm benzene. Model results indicate that: (1) SCC efficiently extracts benzene from the storage formation. (2) Assuming equilibrium, the content of benzene in SCC is roportional to the concentration of benzene in the aqueous and solid phases. (3) Benzene may co-migrate with CO{sub 2} into overlying aquifers if a leakage pathway is present. Because the aqueous solubility of benzene in contact with CO{sub 2} is lower than the aqueous solubility of CO{sub 2}, benzene is actually enriched in the CO{sub 2} phase as the plume advances. (4) For the case studied here, the resulting aqueous benzene concentration in the overlying aquifer is on the same order of magnitude as the initial concentration in the storage formation. This generic modeling study illustrates, in a semi-quantitative manner, the possible mobilization of benzene by SCC. The extent to which the mobilization of this organic compound evolves temporally and spatially depends on a large number of controlling parameters and is largely site specific. Therefore, for more 'truly' predictive work, further sensitivity studies should be conducted, and further modeling should be integrated with site-specific laboratory and/or field experimental data. The co-injection of H{sub 2}S with CO{sub 2} into a deep saline aquifer was also simulated. In addition, the

  16. Detection of chlorinated aromatic compounds

    DOE Patents [OSTI]

    Ekechukwu, A.A.

    1996-02-06

    A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

  17. Detection of chlorinated aromatic compounds

    DOE Patents [OSTI]

    Ekechukwu, Amy A.

    1996-01-01

    A method for making a composition for measuring the concentration of chloated aromatic compounds in aqueous fluids, and an optical probe for use with the method. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis.

  18. 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.

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

    SciTech Connect (OSTI)

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

    2013-11-07

    The stability of M@B{sub n}H{sub n} (M = V{sup ?}, Cr, Mn{sup +}; n = 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.

  20. 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

  1. 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.

  2. Nucleophilic fluorination of aromatic compounds

    DOE Patents [OSTI]

    Satyamurthy, Nagichettiar; Barrio, Jorge R

    2014-03-18

    Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO.sub.2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me.sub.4NF, Et.sub.4NF, n-Bu.sub.4NF, (PhCH.sub.2).sub.4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  3. Noncomparative scaling of aromaticity through electron itinerancy

    SciTech Connect (OSTI)

    Paul, Satadal; Goswami, Tamal; Misra, Anirban

    2015-10-15

    Aromaticity is a multidimensional concept and not a directly observable. These facts have always stood in the way of developing an appropriate theoretical framework for scaling of aromaticity. In the present work, a quantitative account of aromaticity is developed on the basis of cyclic delocalization of π-electrons, which is the phenomenon leading to unique features of aromatic molecules. The stabilization in molecular energy, caused by delocalization of π-electrons is obtained as a second order perturbation energy for archetypal aromatic systems. The final expression parameterizes the aromatic stabilization energy in terms of atom to atom charge transfer integral, onsite repulsion energy and the population of spin orbitals at each site in the delocalized π-electrons. An appropriate computational platform is framed to compute each and individual parameter in the derived equation. The numerical values of aromatic stabilization energies obtained for various aromatic molecules are found to be in close agreement with available theoretical and experimental reports. Thus the reliable estimate of aromaticity through the proposed formalism renders it as a useful tool for the direct assessment of aromaticity, which has been a long standing problem in chemistry.

  4. 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.

  5. 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.

  6. 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.

  7. Applications of organo-calcium chemistry to control contaminant aromatic hydrocarbons in advanced coal gasification processes: Final technical progress report

    SciTech Connect (OSTI)

    Longwall, J.P.; Chang, C.C.S.; Lai, C.K.S.; Chen, P.; Hajaligol, M.R.; Peters, W.A.

    1988-09-01

    The broad goal of this contract was to provide quantitative understanding of the thermal reactions of aromatics contaminants with calcium oxide under conditions pertinent to their in situ or out-board reduction or elimination from advanced coal gasification process and waste streams. Specific objectives were formalized into the following four tasks: cracking of fresh coal pyrolysis tar, benzene cracking, CaO deactivation behavior, and preliminary economic implications. The approach primarily involved laboratory scale measurements of rates and extents of feed conversion, and of quality indices or compositions of the resulting products, when pure aromatic compounds or newly formed coal pyrolysis tars undergo controlled extents of thermal treatment with CaO of known preparation history. 70 refs., 54 figs., 7 tabs.

  8. Molecular catalytic hydrogenation of aromatic hydrocarbons and...

    Office of Scientific and Technical Information (OSTI)

    and hydrotreating of coal liquids. Citation Details In-Document Search Title: Molecular catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids. ...

  9. Molecular catalytic hydrogenation of aromatic hydrocarbons and

    Office of Scientific and Technical Information (OSTI)

    catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids. Yang, Shiyong; Stock, L.M. 01 COAL, LIGNITE, AND PEAT; 40 CHEMISTRY; COAL LIQUIDS;...

  10. Quantum transport through aromatic molecules

    SciTech Connect (OSTI)

    Ojeda, J. H.; Rey-Gonzlez, R. R.; Laroze, D.

    2013-12-07

    In this paper, we study the electronic transport properties through aromatic molecules connected to two semi-infinite leads. The molecules are in different geometrical configurations including arrays. Using a nearest neighbor tight-binding approach, the transport properties are analyzed into a Green's function technique within a real-space renormalization scheme. We calculate the transmission probability and the Current-Voltage characteristics as a function of a molecule-leads coupling parameter. Our results show different transport regimes for these systems, exhibiting metal-semiconductor-insulator transitions and the possibility to employ them in molecular devices.

  11. Dehydrocyclodimerization, converting LPG to aromatics

    SciTech Connect (OSTI)

    Johnson, J.A.; Hilder, G.K.

    1984-03-01

    British Petroleum (BP) recognized the potential need for ways of exploiting feedstocks with low opportunity cost and commenced a research program at its Sunbury Research Center to discover and develop a catalyst for the conversion of LPG to a liquid product. The successful outcome of this research program is the Cyclar /SUP SM/ process, a joint development of UOP Process Division and British Petroleum. The Cyclar process offers a single-step conversion of LPG to an aromatic product which has a highvalue, is easily transported and useful both to fuel and petrochemical applications. The LPG producer can invest in a single unit, avoiding the need to identify and develop markets for multiple C/sub 3/ and C/sub 4/ products. This catalytic process, which employs UOP Continuous Catalyst Regeneration (CCR) technology, can also be applied to refinery light ends to produce a high-quality gasoline. Aromatic and hydrogen yields from propane and butane feeds surpass those obtained from catalytic reforming of Light Arabian naphtha. This paper describes the principles of the Cyclar process and illustrates yields and economics for several interesting applications.

  12. Predicting Electrochemical Windows of Nitrogen Containing Aromatic

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

    Molecules - Joint Center for Energy Storage Research October 20, 2014, Research Highlights Predicting Electrochemical Windows of Nitrogen Containing Aromatic Molecules Various nitrogen containing aromatic base molecules and a descriptive relationship derived to predict their reduction potentials is shown. Scientific Achievement A descriptive relationship is derived for computing reduction potentials of quinoxaline derivatives from the orbital energies of the neutral molecules without

  13. 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.

  14. Catalytic cracking of aromatic hydrocarbons. Final report, October 1984-March 1986

    SciTech Connect (OSTI)

    Simons, G.A.; Ham, D.O.; Moniz, G.A.

    1986-04-01

    Iron containing minerals and chars were screened as cracking catalysts for aromatic hydrocarbons (AHC) in simulated gasifier effluents. Catalytic activities of six minerals and two chars were measured and used to infer fundamental hetereogeneous rate constants using measured properties of the pore structure of the solids. Measurements were made for 200 ppM and 2000 ppM benzene cracking over the temperature range 400 to 1000/sup 0/C. The active catalyst under gasifier conditions was found to be FeO. The minerals have a higher reactivity per unit mass in chars than in a pure form. H/sub 2/S was found to reduce the catalytic activity to one third of the unpoisoned value, but the catalysts maintained this reduced activity. These minerals have the potential to be economically feasible, disposable catalysts in a fixed bed or fluidized bed process if they can survive for ten hours. 8 refs., 33 figs., 3 tabs.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Polynuclear aromatic hydrocarbons for fullerene synthesis in flames

    DOE Patents [OSTI]

    Alford, J. Michael; Diener, Michael D.

    2006-12-19

    This invention provides improved methods for combustion synthesis of carbon nanomaterials, including fullerenes, employing multiple-ring aromatic hydrocarbon fuels selected for high carbon conversion to extractable fullerenes. The multiple-ring aromatic hydrocarbon fuels include those that contain polynuclear aromatic hydrocarbons. More specifically, multiple-ring aromatic hydrocarbon fuels contain a substantial amount of indene, methylnapthalenes or mixtures thereof. Coal tar and petroleum distillate fractions provide low cost hydrocarbon fuels containing polynuclear aromatic hydrocarbons, including without limitation, indene, methylnapthalenes or mixtures thereof.

  1. Workbook Contents

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

    ,,"(202) 586-8800",,,"10302015 12:46:21 PM" "Back to Contents","Data 1: Rhode Island Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)"...

  2. 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.

  3. 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.

  4. Workbook Contents

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    Data for" ,"Data 1","Nevada Nonhydrocarbon Gases Removed from Natural ... 1:08:57 AM" "Back to Contents","Data 1: Nevada Nonhydrocarbon Gases Removed from Natural ...

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    Data for" ,"Data 1","Kansas Natural Gas in Underground Storage ... 6:59:57 AM" "Back to Contents","Data 1: Kansas Natural Gas in Underground Storage ...

  8. Workbook Contents

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    Name","Description"," Of Series","Frequency","Latest Data for" ,"Data 1","New Hampshire Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic ...

  9. Workbook Contents

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

    Data for" ,"Data 1","Minnesota Natural Gas Injections into Underground ... 7:00:26 AM" "Back to Contents","Data 1: Minnesota Natural Gas Injections into Underground ...

  10. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    DOE Patents [OSTI]

    Smith, Robert E. [557 Escondido Cir., Livermore, CA 94550; Dolbeare, Frank A. [5178 Diane La., Livermore, CA 94550

    1980-10-21

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 4-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes.

  11. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    DOE Patents [OSTI]

    Smith, Robert E.; Dolbeare, Frank A.

    1979-01-01

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 5-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes.

  12. Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes

    DOE Patents [OSTI]

    Smith, R.E.; Dolbeare, F.A.

    1980-10-21

    Analysis of proteinases is accomplished using conventional amino acid containing aromatic amine substrates. Aromatic amines such as 4-methoxy-2-naphthylamine (4M2NA), 2-naphthylamine, aminoisophthalic acid dimethyl ester, p-nitroaniline, 4-methoxy-1-aminofluorene and coumarin derivatives resulting from enzymatic hydrolysis of the substrate couples with aromatic aldehydes such as 5-nitrosalicylaldehyde (5-NSA), benzaldehyde and p-nitrobenzaldehyde to produce Schiff-base complexes which are water insoluble. Certain Schiff-base complexes produce a shift from blue to orange-red (visible) fluorescence. Such complexes are useful in the assay of enzymes. No Drawings

  13. RECOVERY OF URANIUM BY AROMATIC DITHIOCARBAMATE COMPLEXING

    DOE Patents [OSTI]

    Neville, O.K.

    1959-08-11

    A selective complexing organic solvent extraction process is presented for the separation of uranium values from an aqueous nitric acid solution of neutron irradiated thorium. The process comprises contacting the solution with an organic aromatic dithiccarbamaie and recovering the resulting urancdithiccarbamate complex with an organic solvent such as ethyl acetate.

  14. Selective aromatization of C[sub 3] and C[sub 4] paraffins over modified encilite catalysts. 1. Qualitative study

    SciTech Connect (OSTI)

    Jana, A.K.; Rao, M.S. . Department of Chemical Engineering)

    1993-06-01

    The catalytic activity of Zn-encilite in the aromatization of propane and n-butane has been studied by a comparative study of the yields of benzene, toluene, and xylenes (BTX) using propane and n-butane as feeds. The results showed that n-butane had better activity and selectivity to BTX than propane. The effects of reaction temperature, contact time, inlet concentration, poisoning with ammonia on H-encilite, and different degrees of ion exchange with Zn[sup 2+] ion were studied in detail in order to obtain information on the reaction mechanism. The results indicated that the activity and the selectivity were dictated by the acidity and Zn loading on the catalyst.

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    ,,"(202) 586-8800",,,"5302016 7:40:48 PM" "Back to Contents","Data 1: Crude Oil Production" "Sourcekey","MCRFPUS2","MCRFPP12","MCRFPFL2","MCRFPNY2","MCRFPPA2","MCRFPVA2","M...

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    ,,"(202) 586-8800",,,"5302016 7:40:47 PM" "Back to Contents","Data 1: Crude Oil Production" "Sourcekey","MCRFPUS1","MCRFPP11","MCRFPFL1","MCRFPNY1","MCRFPPA1","MCRFPVA1","M...

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    Data for" ,"Data 1","Minnesota Price of Natural Gas Sold to Commercial ... 6:57:30 AM" "Back to Contents","Data 1: Minnesota Price of Natural Gas Sold to Commercial ...

  16. 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

  17. 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.

  18. 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.

  19. Monitoring of vapor phase polycyclic aromatic hydrocarbons

    DOE Patents [OSTI]

    Vo-Dinh, Tuan; Hajaligol, Mohammad R.

    2004-06-01

    An apparatus for monitoring vapor phase polycyclic aromatic hydrocarbons in a high-temperature environment has an excitation source producing electromagnetic radiation, an optical path having an optical probe optically communicating the electromagnetic radiation received at a proximal end to a distal end, a spectrometer or polychromator, a detector, and a positioner coupled to the first optical path. The positioner can slidably move the distal end of the optical probe to maintain the distal end position with respect to an area of a material undergoing combustion. The emitted wavelength can be directed to a detector in a single optical probe 180.degree. backscattered configuration, in a dual optical probe 180.degree. backscattered configuration or in a dual optical probe 90.degree. side scattered configuration. The apparatus can be used to monitor an emitted wavelength of energy from a polycyclic aromatic hydrocarbon as it fluoresces in a high temperature environment.

  20. Workbook Contents

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Alaska Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

  1. Workbook Contents

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Alabama Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Arkansas Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Arizona Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","California Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Colorado Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","District of Columbia Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Delaware Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Florida Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Georgia Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Hawaii Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Iowa Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Idaho Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Illinois Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Kansas Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Louisiana Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Massachusetts Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Maryland Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Michigan Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Minnesota Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Missouri Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Mississippi Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Montana Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","North Carolina Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","North Dakota Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Nebraska Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","New Jersey Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","New Mexico Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Nevada Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","New York Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Ohio Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Oklahoma Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Oregon Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Pennsylvania Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Rhode Island Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","South Carolina Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","South Dakota Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Tennessee Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Texas Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

  19. Workbook Contents

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Utah Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Virginia Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

  1. Workbook Contents

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Vermont Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Washington Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Wisconsin Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","West Virginia Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

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    Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Wyoming Heat Content of Natural Gas Deliveries to Consumers (BTU per Cubic Foot)",1,"Monthly","6/2016" ,"Release Date:","08/31/2016" ,"Next Release

  6. Characterization and analysis of polycyclic aromatic hydrocarbons

    SciTech Connect (OSTI)

    Breuer, G.M.; Smith, J.P.

    1984-01-01

    Sampling and analytical procedures were developed for determining the concentrations of polycyclic aromatic hydrocarbons in animal-exposure chambers during studies on exposure to diesel exhaust, coal dust, or mixtures of these two pollutants. Fluoranthene, pyrene, benzo(a)anthracene, chrysene, benzo(e)pyrene, benzo(k)fluoranthene, and benzo(a)pyrene were used as representative polycyclic aromatic hydrocarbons. High-pressure liquid chromatography with fluorescence detection was used for analysis. Coal-dust only samples revealed a broad, rising background in the chromatogram with small peaks superimposed corresponding to fluoranthene, pyrene, and benzo(a)anthracene, diesel exhaust only samples showed many peaks on a flat baseline including those corresponding to fluoranthene, pyrene, benzo(a)anthracene, benzo(k)fluoranthene, and benzo(a)pyrene. In general, no polynuclear aromatics were noted in the clean air samples. The authors note that relatively minor changes in air/fuel ratio, lubricant, fuel, and load may have substantial effects on very minor components of the exhaust emission.

  7. Workbook Contents

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

    Contents","Data 1: U.S., PAD Districts, and States" "Sourcekey","8NA8O0NUSC","8NA8O0R10C","8NA8O0SDEC","8NA8O0SFLC","8NA8O0SGAC","8NA8O0SMDC","8NA8O0SN...

  8. Catalytic hydroprocessing of simulated heavy coal liquids; 1: Reactivities of aromatic hydrocarbons and sulfur and oxygen heterocyclic compounds

    SciTech Connect (OSTI)

    Girgis, M.J. . Dept. of Chemical Engineering Mobil Research and Development Corp., Princeton, NJ . Central Research Lab.); Gates, B.C. . Dept. of Chemical Engineering)

    1994-05-01

    The hydroprocessing of mixtures simulating a coal liquid without organonitrogen compounds was investigated with a once-through flow reactor operated with liquid-phase reactants at 350 C and 171 atm. The catalyst was sulfided Ni-Mo/[gamma]-Al[sub 2]O[sub 3]. The reactants included pyrene, phenanthrene, fluoranthene, dibenzothiophene, dibenzofuran, and 5,6,7,8-tetrahydro-1-naphthol. The products formed from each reactant were determined, and each reaction was modeled as first order in the organic reactant. The reactivity of fused six-ring aromatics increases with the number of rings, but the change from one member of the family to another is less than the order-of-magnitude increase in reactivity from benzene to naphthalene. Fluoranthene must be considered in a separate compound class from fused six-membered-ring aromatics because it is hydrogenated more rapidly. Dibenzothiophene gives biphenyl selectively. Dibenzofuran reacts very slowly, whereas 5,6,7,8-tetrahydro-1-naphthol reacts very rapidly. The results reported here, in combination with the reaction networks developed in the sequel, are the first quantitative evaluation of reactivities of components in a mixture simulating a hydroprocessing feedstock that takes account of competitive reactions and the formation of intermediate products.

  9. 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.

  10. 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.

  11. Device for aqueous detection of nitro-aromatic compounds

    DOE Patents [OSTI]

    Reagen, W.K.; Schulz, A.L.; Ingram, J.C.; Lancaster, G.D.; Grey, A.E.

    1994-04-26

    This invention relates to a compact and portable detection apparatus for nitro-aromatic based chemical compounds, such as nitrotoluenes, dinitrotoluenes, and trinitrotoluene (TNT). The apparatus is based upon the use of fiber optics using filtered light. The preferred process of the invention relies upon a reflective chemical sensor and optical and electronic components to monitor a decrease in fluorescence when the nitro-aromatic molecules in aqueous solution combine and react with a fluorescent polycyclic aromatic compound. 4 figures.

  12. Device for aqueous detection of nitro-aromatic compounds

    DOE Patents [OSTI]

    Reagen, William K.; Schulz, Amber L.; Ingram, Jani C.; Lancaster, Gregory D.; Grey, Alan E.

    1994-01-01

    This invention relates to a compact and portable detection apparatus for ro-aromatic based chemical compounds, such as nitrotoluenes, dinitrotoluenes, and trinitrotoluene (TNT). The apparatus is based upon the use of fiber optics using filtered light. The preferred process of the invention relies upon a reflective chemical sensor and optical and electronic components to monitor a decrease in fluorescence when the nitro-aromatic molecules in aqueous solution combine and react with a fluorescent polycyclic aromatic compound.

  13. 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.

  14. 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.

  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. Polycyclic aromatic hydrocarbon and mid-infrared continuum emission...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Polycyclic ... We report the detection of 6.2 m polycyclic aromatic ... OSTI Identifier: 22357024 Resource Type: Journal Article ...

  17. 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

  18. 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.

  19. 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.

  20. Distribution of polycyclic aromatic hydrocarbons in lime spray dryer ash

    SciTech Connect (OSTI)

    Ping Sun; Panuwat Taerakul; Linda K. Weavers; Harold W. Walker

    2005-10-01

    Four lime spray dryer (LSD) ash samples were collected from a spreader stoker boiler and measured for their concentrations of 16 U.S. EPA specified polycyclic aromatic hydrocarbons (PAHs). Results showed that the total measured PAH concentration correlated with the organic carbon content of the LSD ash. Each LSD ash sample was then separated using a 140 mesh sieve into two fractions: a carbon-enriched fraction ({gt}140 mesh) and a lime-enriched fraction ({lt}140 mesh). Unburned carbon was further separated from the carbon-enriched fraction with a lithiumheteropolytungstate (LST) solution. PAH measurements on these different fractions showed that unburned carbon had the highest PAH concentrations followed by the carbon-enriched fraction, indicating that PAHs were primarily associated with the carbonaceous material in LSD ash. However, detectable levels of PAHs were also found in the lime-enriched fraction, suggesting that the fine spray of slaked lime may sorb PAH compounds from the flue gas in the LSD process. 37 refs., 5 figs., 4 tabs.

  1. Ultra-low-temperature reactions of C({sup 3}P{sub 0}) atoms with benzene molecules in helium droplets

    SciTech Connect (OSTI)

    Krasnokutski, Serge A. Huisken, Friedrich

    2014-12-07

    The reaction of carbon atoms with benzene has been investigated in liquid helium droplets at T = 0.37 K. We found an addition of the carbon atom to form an initial intermediate complex followed by a ring opening and the formation of a seven-membered ring. In contrast to a previous gas phase study, the reaction is frozen after these steps and the loss of hydrogen does not occur. A calorimetric technique was applied to monitor the energy balance of the reaction. It was found that more than 267 kJ mol{sup ?1} were released in this reaction. This estimation is in line with quantum chemical calculations of the formation energy of a seven-membered carbon ring. It is suggested that reactions of this kind could be responsible for the low abundance of small polycyclic aromatic hydrocarbon molecules in the interstellar medium. We also found the formation of weakly bonded water-carbon adducts, in which the carbon atom is linked to the oxygen atom of the water molecule with a binding energy of about 33.4 kJ mol{sup ?1}.

  2. 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.

  3. 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

  4. 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

  5. Coupling of oxidative dehydrogenation and aromatization reactions of butane

    SciTech Connect (OSTI)

    Xu, Wen-Qing; Suib, S.L. )

    1994-01-01

    Coupling of oxidative dehydrogenation and aromatization of butane by using a dual function catalyst has led to a significant enhancement of the yields (from 25 to 40%) and selectivities to aromatics (from 39 to 64%). Butane is converted to aromatics by using either zinc-promoted [Ga]-ZSM-5 or zinc and gallium copromoted [Fe]-ZSM-5 zeolite as a catalyst. However, the formation of aromatics is severely limited by hydrocracking of butane to methane, ethane, and propane due to the hydrogen formed during aromatization reactions. On the other hand, the oxidative dehydrogenation of butane to butene over molybdate catalysts is found to be accompanied by a concurrent undesirable reaction, i.e., total oxidation. When two of these reactions (oxidative dehydrogenation and aromatization of butane) are coupled by using a dual function catalyst they have shown to complement each other. It is believed that the rate-limiting step for aromatization (butane to butene) is increased by adding an oxidative dehydrogenation catalyst (Ga-Zn-Mg-Mo-O). The formation of methane, ethane, and propane was suppressed due to the removal of hydrogen initially formed as water. Studies of ammonia TPD show that the acidities of [Fe]-ZSM-5 are greatly affected by the existence of metal oxides such as Ga[sub 2]O[sub 3], MgO, ZnO, and MoO[sub 3]. 40 refs., 9 figs., 1 tab.

  6. Process for reducing aromatic compounds in ethylenediamine with calcium

    DOE Patents [OSTI]

    Benkeser, Robert A.; Laugal, James A.; Rappa, Angela

    1985-01-01

    Olefins are produced by containing an organic compound having at least one benzene ring with ethylenediamine and calcium metal, the calcium metal being used in large excess or alternatively in conjunction with an inert abrasive particulate substance. Substantially all of the organic compounds are converted to corresponding cyclic olefins, largely mono-olefins.

  7. Process for reducing aromatic compounds in ethylenediamine with calcium

    DOE Patents [OSTI]

    Benkeser, R.A.; Laugal, J.A.; Rappa, A.

    1985-08-06

    Olefins are produced by containing an organic compound having at least one benzene ring with ethylenediamine and calcium metal, the calcium metal being used in large excess or alternatively in conjunction with an inert abrasive particulate substance. Substantially all of the organic compounds are converted to corresponding cyclic olefins, largely mono-olefins.

  8. 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.

  9. EERE Website Content Checklist

    Broader source: Energy.gov [DOE]

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

  10. Selective Conversion of Lignin into Simple Aromatic Compounds - Energy

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

    Innovation Portal Selective Conversion of Lignin into Simple Aromatic Compounds Great Lakes Bioenergy Research Center Contact GLBRC About This Technology Technology Marketing Summary Lignin is a major component of non-edible biomass (15-30 percent by weight; 40 percent by energy). It is a cheap byproduct of pulp and biofuel production and is one of the few naturally occurring sources of high-volume aromatic compounds. Converting lignin's complex biopolymer structure into simple organic

  11. 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.

  12. 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

  13. Aromatics and phenols from catalytic pyrolysis of Douglas fir pellets in microwave with ZSM-5 as a catalyst

    SciTech Connect (OSTI)

    Wang, Lu; Lei, Hanwu; Ren, Shoujie; Bu, Quan; Liang, Jing; Wei, Yi; Liu, Yupeng; Lee, Guo-Shuh J.; Chen, Shulin; Tang, Juming; Zhang, Qin; Ruan, Roger

    2012-11-04

    Microwave assisted catalytic pyrolysis was investigated to convert Douglas fir pellets to bio-oils by a ZSM-5 Zeolite catalyst. A central composite experimental design (CCD) was used to optimize the catalytic pyrolysis process. The effects of reaction time, temperature and catalyst to biomass ratio on the bio-oil, syngas, and biochar yields were determined. GC/MS analysis results showed that the bio-oil contained a series of important and useful chemical compounds. Phenols, guaiacols, and aromatic hydrocarbons were the most abundant compounds which were about 50-82 % in bio-oil depending on the pyrolysis conditions. Comparison between the bio-oils from microwave pyrolysis with and without catalyst showed that the catalyst increased the content of aromatic hydrocarbons and phenols. A reaction pathway was proposed for microwave assisted catalyst pyrolysis of Douglas fir pellets.

  14. 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.

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

    SciTech Connect (OSTI)

    Yoon, S.S.; Anh, D.H.; Chung, S.H.

    2008-08-15

    Characteristics of polycyclic aromatic hydrocarbon (PAH) and soot formation in counterflow diffusion flames of methane, ethane, propane, and ethylene fuels mixed with dimethyl ether (DME) have been investigated. Planar laser-induced incandescence and fluorescence techniques were employed to measure relative soot volume fractions and PAH concentrations, respectively. Results showed that even though DME is known to be a clean fuel in terms of soot formation, DME mixture with ethylene fuel increases PAH and soot formation significantly as compared to the pure ethylene case, while the mixture of DME with methane, ethane, and propane decreases PAH and soot formation. Numerical calculations adopting a detailed kinetics showed that DME can be decomposed to produce a relatively large number of methyl radicals in the low-temperature region where PAH forms and grows; thus the mixture of DME with ethylene increases CH{sub 3} radicals significantly in the PAH formation region. Considering that the increase in the concentration of O radicals is minimal in the PAH formation region with DME mixture, the enhancement of PAH and soot formation in the mixture flames of DME and ethylene can be explained based on the role of methyl radicals in PAH and soot formation. Methyl radicals can increase the concentration of propargyls, which could enhance incipient benzene ring formation through the propargyl recombination reaction and subsequent PAH growth. Thus, the result substantiates the importance of methyl radicals in PAH and soot formation, especially in the PAH formation region of diffusion flames. (author)

  16. 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.

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

    SciTech Connect (OSTI)

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

    2010-07-15

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

  18. 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.

  19. Classification of Malaysia aromatic rice using multivariate statistical analysis

    SciTech Connect (OSTI)

    Abdullah, A. H.; Adom, A. H.; Shakaff, A. Y. Md; Masnan, M. J.; Zakaria, A.; Rahim, N. A.; Omar, O.

    2015-05-15

    Aromatic rice (Oryza sativa L.) is considered as the best quality premium rice. The varieties are preferred by consumers because of its preference criteria such as shape, colour, distinctive aroma and flavour. The price of aromatic rice is higher than ordinary rice due to its special needed growth condition for instance specific climate and soil. Presently, the aromatic rice quality is identified by using its key elements and isotopic variables. The rice can also be classified via Gas Chromatography Mass Spectrometry (GC-MS) or human sensory panels. However, the uses of human sensory panels have significant drawbacks such as lengthy training time, and prone to fatigue as the number of sample increased and inconsistent. The GC–MS analysis techniques on the other hand, require detailed procedures, lengthy analysis and quite costly. This paper presents the application of in-house developed Electronic Nose (e-nose) to classify new aromatic rice varieties. The e-nose is used to classify the variety of aromatic rice based on the samples odour. The samples were taken from the variety of rice. The instrument utilizes multivariate statistical data analysis, including Principal Component Analysis (PCA), Linear Discriminant Analysis (LDA) and K-Nearest Neighbours (KNN) to classify the unknown rice samples. The Leave-One-Out (LOO) validation approach is applied to evaluate the ability of KNN to perform recognition and classification of the unspecified samples. The visual observation of the PCA and LDA plots of the rice proves that the instrument was able to separate the samples into different clusters accordingly. The results of LDA and KNN with low misclassification error support the above findings and we may conclude that the e-nose is successfully applied to the classification of the aromatic rice varieties.

  20. 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).

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

    SciTech Connect (OSTI)

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

    1990-02-01

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

  2. 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.

  3. 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.

  4. No-carrier-added (NCA) aryl (18E) fluorides via the nucleophilic aromatic substitution of electron rich aromatic rings

    DOE Patents [OSTI]

    Ding, Yu-Shin; Fowler, Joanna S.; Wolf, Alfred P.

    1993-01-01

    A method for synthesizing no-carrier-added (NCA) aryl [.sup.18 F] fluoride substituted aromatic aldehyde compositions bearing an electron donating group is described. The method of the present invention includes the step of reacting aromatic nitro aldehydes having a suitably protected hydroxyl substitutent on an electron rich ring. The reaction is The U.S. Government has rights in this invention pursuant to Contract Number DE-AC02-76CH00016, between the U.S. Department of Energy and Associated Universities Inc.

  5. No-carrier-added (NCA) aryl ([sup 18]F) fluorides via the nucleophilic aromatic substitution of electron rich aromatic rings

    DOE Patents [OSTI]

    Yushin Ding; Fowler, J.S.; Wolf, A.P.

    1993-10-19

    A method for synthesizing no-carrier-added (NCA) aryl [.sup.18 F] fluoride substituted aromatic aldehyde compositions bearing an electron donating group is described. The method of the present invention includes the step of reacting aromatic nitro aldehydes having a suitably protected hydroxyl substitutent on an electron rich ring. The reaction is The U.S. Government has rights in this invention pursuant to Contract Number DE-AC02-76CH00016, between the U.S. Department of Energy and Associated Universities Inc.

  6. Development of genetically engineered bacteria for production of selected aromatic compounds

    DOE Patents [OSTI]

    Ward, Thomas E.; Watkins, Carolyn S.; Bulmer, Deborah K.; Johnson, Bruce F.; Amaratunga, Mohan

    2001-01-01

    The cloning and expression of genes in the common aromatic pathway of E. coli are described. A compound for which chorismate, the final product of the common aromatic pathway, is an anabolic intermediate can be produced by cloning and expressing selected genes of the common aromatic pathway and the genes coding for enzymes necessary to convert chorismate to the selected compound. Plasmids carrying selected genes of the common aromatic pathway are also described.

  7. 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.

  8. 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)

  9. 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.

  10. 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.

  11. CONTENT MODEL HOW-TO

    Energy Science and Technology Software Center (OSTI)

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

  12. 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

  13. Amination of electrophilic aromatic compounds by vicarious nucleophilic substitution

    DOE Patents [OSTI]

    Mitchell, Alexander R.; Pagoria, Philip F.; Schmidt, Robert D.

    2000-01-01

    The present invention relates to a process to aminate electrophilic aromatic compounds by vicarious nucleophilic substitution of hydrogen using quaternary hydrazinium salts. The use of trialkylhydrazinium halide, e.g., trimethylhydrazinium iodide, as well as hydroxylamine, alkoxylamines, and 4-amino-1,2,4-triazole to produce aminated aromatic structures, such as 1,3-diamino-2,4,6-trinitrobenzene (DATB), 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and 3,5-diamino-2,4,6-trinitrotoluene (DATNT), is described. DATB and TATB are useful insensitive high explosives. TATB is also used for the preparation of benzenehexamine, a starting material for the synthesis of novel materials (optical imaging devices, liquid crystals, ferromagnetic compounds).

  14. Redox shuttles having an aromatic ring fused to a 1,1,4,4-tetrasubstituted cyclohexane ring

    DOE Patents [OSTI]

    Weng, Wei; Zhang, Zhengcheng; Amine, Khalil

    2015-12-01

    An electrolyte includes an alkali metal salt; an aprotic solvent; and a redox shuttle additive including an aromatic compound having at least one aromatic ring fused with at least one non-aromatic ring, the aromatic ring having two or more oxygen or phosphorus-containing substituents.

  15. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    SciTech Connect (OSTI)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr.; Allamandola, Louis J. E-mail: Charles.W.Bauschlicher@nasa.gov

    2013-10-10

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster.

  16. MODELING GALACTIC EXTINCTION WITH DUST AND 'REAL' POLYCYCLIC AROMATIC HYDROCARBONS

    SciTech Connect (OSTI)

    Mulas, Giacomo; Casu, Silvia; Cecchi-Pestellini, Cesare; Zonca, Alberto E-mail: silvia@oa-cagliari.inaf.it E-mail: azonca@oa-cagliari.inaf.it

    2013-07-01

    We investigate the remarkable apparent variety of galactic extinction curves by modeling extinction profiles with core-mantle grains and a collection of single polycyclic aromatic hydrocarbons. Our aim is to translate a synthetic description of dust into physically well-grounded building blocks through the analysis of a statistically relevant sample of different extinction curves. All different flavors of observed extinction curves, ranging from the average galactic extinction curve to virtually 'bumpless' profiles, can be described by the present model. We prove that a mixture of a relatively small number (54 species in 4 charge states each) of polycyclic aromatic hydrocarbons can reproduce the features of the extinction curve in the ultraviolet, dismissing an old objection to the contribution of polycyclic aromatic hydrocarbons to the interstellar extinction curve. Despite the large number of free parameters (at most the 54 Multiplication-Sign 4 column densities of each species in each ionization state included in the molecular ensemble plus the 9 parameters defining the physical properties of classical particles), we can strongly constrain some physically relevant properties such as the total number of C atoms in all species and the mean charge of the mixture. Such properties are found to be largely independent of the adopted dust model whose variation provides effects that are orthogonal to those brought about by the molecular component. Finally, the fitting procedure, together with some physical sense, suggests (but does not require) the presence of an additional component of chemically different very small carbonaceous grains.

  17. 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.

  18. Polycyclic aromatic hydrocarbons in surface waters of Alessandria District, South Eastern Piedmont (Italy)

    SciTech Connect (OSTI)

    Trova, C.; Cossa, G.; Gandolfo, G.

    1992-10-01

    Polynuclear aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants. Because of the high toxicity of some polycyclic compounds, such as benzopyrenes, the determination of their levels in air, water, soil and aquatic organisms was the object of several papers. Anthropogenic pyrolitic and combustion processes, related to industrial plants, domestic heating, automobile traffic, are the major sources of these compounds; from these sources they enter atmospheric environment where their concentration is reduced by scavenging during precipitation events: rain, snow and fog in urban areas usually show high contents of PAHs. Dry and wet atmospheric polluted depositions effluents transport appreciable amounts of PAHs to aquatic environment, where they are rapidly taken up and accumulated by both fish and shellfish. Alessandria District, in South-Eastern Piedmont (Italy), lies in the middle of Torino-Milano-Genova industrial area: in addition to local sources, a relatively long range transport of polluted air masses may conduct to this region atmospheric contaminants, such as polynuclear compounds, that can enter fluvial environments through meteoric precipitation. The object of this work was to evaluate PAH content in surface waters flowing across the described territory. Samplings were carried on during winter season, when the concentration of these pollutants usually reaches the highest levels. 8 refs., 4 figs., 2 tabs.

  19. 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.

  20. Fermilab Today - Related Content

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

    Related Content Subscribe | Contact Fermilab Today | Archive | Classifieds Search GO Classifieds Director's Corner Physics in a Nutshell Frontier Science Result Tip of the Week...

  1. First-principles investigation on the electronic efficiency and binding energy of the contacts formed by graphene and poly-aromatic hydrocarbon anchoring groups

    SciTech Connect (OSTI)

    Li, Yang; Tu, Xingchen; Wang, Hao; Hou, Shimin; Sanvito, Stefano

    2015-04-28

    The electronic efficiency and binding energy of contacts formed between graphene electrodes and poly-aromatic hydrocarbon (PAH) anchoring groups have been investigated by the non-equilibrium Greens function formalism combined with density functional theory. Our calculations show that PAH molecules always bind in the interior and at the edge of graphene in the AB stacking manner, and that the binding energy increases following the increase of the number of carbon and hydrogen atoms constituting the PAH molecule. When we move to analyzing the electronic transport properties of molecular junctions with a six-carbon alkyne chain as the central molecule, the electronic efficiency of the graphene-PAH contacts is found to depend on the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the corresponding PAH anchoring group, rather than its size. To be specific, the smaller is the HOMO-LUMO gap of the PAH anchoring group, the higher is the electronic efficiency of the graphene-PAH contact. Although the HOMO-LUMO gap of a PAH molecule depends on its specific configuration, PAH molecules with similar atomic structures show a decreasing trend for their HOMO-LUMO gap as the number of fused benzene rings increases. Therefore, graphene-conjugated molecule-graphene junctions with high-binding and high-conducting graphene-PAH contacts can be realized by choosing appropriate PAH anchor groups with a large area and a small HOMO-LUMO gap.

  2. TABLE OF CONTENTS

    National Nuclear Security Administration (NNSA)

    AC05-00OR22800 TABLE OF CONTENTS Contents Page # TOC - i SECTION A - SOLICITATION/OFFER AND AWARD ......................................................................... A-i SECTION B - SUPPLIES OR SERVICES AND PRICES/COSTS ........................................................ B-i B.1 SERVICES BEING ACQUIRED ....................................................................................B-2 B.2 TRANSITION COST, ESTIMATED COST, MAXIMUM AVAILABLE FEE, AND AVAILABLE FEE (Modification 295,

  3. Method of upgrading oils containing hydroxyaromatic hydrocarbon compounds to highly aromatic gasoline

    DOE Patents [OSTI]

    Baker, Eddie G. (Richland, WA); Elliott, Douglas C. (Richland, WA)

    1993-01-01

    The present invention is a multi-stepped method of converting an oil which is produced by various biomass and coal conversion processes and contains primarily single and multiple ring hydroxyaromatic hydrocarbon compounds to highly aromatic gasoline. The single and multiple ring hydroxyaromatic hydrocarbon compounds in a raw oil material are first deoxygenated to produce a deoxygenated oil material containing single and multiple ring aromatic compounds. Then, water is removed from the deoxygenated oil material. The next step is distillation to remove the single ring aromatic compouns as gasoline. In the third step, the multiple ring aromatics remaining in the deoxygenated oil material are cracked in the presence of hydrogen to produce a cracked oil material containing single ring aromatic compounds. Finally, the cracked oil material is then distilled to remove the single ring aromatics as gasoline.

  4. Method of upgrading oils containing hydroxyaromatic hydrocarbon compounds to highly aromatic gasoline

    DOE Patents [OSTI]

    Baker, E.G.; Elliott, D.C.

    1993-01-19

    The present invention is a multi-stepped method of converting an oil which is produced by various biomass and coal conversion processes and contains primarily single and multiple ring hydroxyaromatic hydrocarbon compounds to highly aromatic gasoline. The single and multiple ring hydroxyaromatic hydrocarbon compounds in a raw oil material are first deoxygenated to produce a deoxygenated oil material containing single and multiple ring aromatic compounds. Then, water is removed from the deoxygenated oil material. The next step is distillation to remove the single ring aromatic compounds as gasoline. In the third step, the multiple ring aromatics remaining in the deoxygenated oil material are cracked in the presence of hydrogen to produce a cracked oil material containing single ring aromatic compounds. Finally, the cracked oil material is then distilled to remove the single ring aromatics as gasoline.

  5. Process for conversion of light olefins to LPG and aromatics

    SciTech Connect (OSTI)

    Martindale, D.C.; Andermann, R.E.; Mowry, J.R.

    1989-01-03

    A hydrocarbon conversion process is described which comprises passing a hydrocarbon feed stream comprising at least 30 mole percent olefins having 3 to 4 carbon atoms per molecule and also comprising at least 50 mole percent paraffins having 3 to 4 carbon atoms per molecule and containing less than 10 mole percent C/sub 5/-plus hydrocarbons into a catalytic reaction zone operated at low severity conditions and contacting the feed stream with a solid catalyst gallium. A reaction zone effluent stream is produced comprising C/sub 6/-C/sub 8/ aromatic hydrocarbons and C/sub 3/-C/sub 4/ paraffins, with the reaction zone effluent stream containing less than 10 mole percent olefinic hydrocarbons. The low severity conditions include a combination of pressure, feed space velocity and temperature, including a temperature below 425/sup 0/C, which results in a partial conversion of the feed hydrocarbons into aromatic hydrocarbons whereby: (i) when the effluent is separated there are produced a first product stream, which first product stream is rich in C/sub 6/-C/sub 8/ aromatic hydrocarbons and is withdrawn from the process, with the second product stream, which second product stream is rich in C/sub 3/-C/sub 4/ paraffins and is withdrawn from the process, with the second product stream having a flow rate equal to at least 30 wt. percent of the flow rate of the feed stream; and (ii) the mass flow rate of paraffinic hydrocarbons out of the reaction zone exceeds the mass flow rate of paraffinic hydrocarbons into the reaction zone.

  6. 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

  7. 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.

  8. Contents.key

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

    Paul Clavin Contents Combustion Waves and Fronts in Flows P. Clavin and G. Searby Cambridge University Press (to appear) Orders of magnitude 2 Lecture 1: 1-1: Overall...

  9. TABLE OF CONTENTS

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

    008 High Temperature Superconductivity for Electric Systems Peer Review Final Report i TABLE OF CONTENTS High Temperature Superconductivity for Electric Systems Program Overview ...... 1 The Peer Review................................................................................................................ 3 Review Criteria ................................................................................................................. 5 Guidelines

  10. Table_of_Contents

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

    Table of Contents 1. Physical Security .............................................................................................................................. 1-1 101. Headquarters Security Badges ........................................................................................ 101-1 102. HSPD-12 Badges and the PIV Process ........................................................................... 102-1 103. Prohibited Articles

  11. TABLE OF CONTENTS

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

    3, Revision 0 i TABLE OF CONTENTS 1.0 Summary .............................................................................................................................. 1 2.0 Introduction .......................................................................................................................... 1 3.0 Discussion ............................................................................................................................ 4 3.1 Selection of Tanks for Level Decrease

  12. TABLE OF CONTENTS

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

    4, Revision 0 i TABLE OF CONTENTS 1.0 Summary .............................................................................................................................. 1 2.0 Introduction .......................................................................................................................... 1 3.0 Discussion ............................................................................................................................ 4 3.1 Selection of Tanks for Level Decrease

  13. TABLE OF CONTENTS

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

    5, Revision 0 i TABLE OF CONTENTS 1.0 Summary .............................................................................................................................. 1 2.0 Introduction .......................................................................................................................... 1 3.0 Discussion ............................................................................................................................ 4 3.1 Selection of Tanks for Level Decrease

  14. TABLE OF CONTENTS

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

    irecusa.org | LMI Guidelines | 0 www.irecusa.org | LMI Guidelines | i TABLE OF CONTENTS Executive Summary iv Content Overview vii Introduction 1 I. Identifying LMI Customers and Designing Facilities to Serve LMI Customers 5 A. LMI Customers 5 B. Designing Facilities to Serve LMI Customers 6 II. Barriers to Adoption and Opportunities for Engagement 11 A. Financial Barriers 11 B. Ownership Barriers and Split Incentives 14 C. Marketing, Education, and Outreach Barriers 15 D. Opportunities for

  15. 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.

  16. UV resonance Raman characterization of polycyclic aromatic hydrocarbons in coal liquid distillates

    SciTech Connect (OSTI)

    Rumelfanger, R.; Asher, S.A.; Perry, M.B.

    1988-02-01

    Ultraviolet resonance Raman spectroscopy has been used to characterize the polycyclic aromatic hydrocarbon composition of a series of distillates of coal-derived liquids. The UV Raman spectra easily monitor changes in the polycyclic aromatic hydrocarbon composition as a function of distillation temperature. Specific species, such as pyrene, can be determined by judicious choice of excitation wavelength.

  17. Synthesis of condensed phases containing polycyclic aromatic hydrocarbons fullerenes and nanotubes

    DOE Patents [OSTI]

    Reilly, Peter T. A.

    2004-10-19

    The invention relates to methods for producing polycyclic aromatic hydrocarbons, fullerenes, and nanotubes, comprising: a. heating at least one carbon-containing material to form a condensed phase comprising at least one polycyclic aromatic hydrocarbon; b. collecting at least some of the condensed phase; c. reacting the condensed phase to form fullerenes and/or nanotubes.

  18. Secure content objects

    DOE Patents [OSTI]

    Evans, William D.

    2009-02-24

    A secure content object protects electronic documents from unauthorized use. The secure content object includes an encrypted electronic document, a multi-key encryption table having at least one multi-key component, an encrypted header and a user interface device. The encrypted document is encrypted using a document encryption key associated with a multi-key encryption method. The encrypted header includes an encryption marker formed by a random number followed by a derivable variation of the same random number. The user interface device enables a user to input a user authorization. The user authorization is combined with each of the multi-key components in the multi-key encryption key table and used to try to decrypt the encrypted header. If the encryption marker is successfully decrypted, the electronic document may be decrypted. Multiple electronic documents or a document and annotations may be protected by the secure content object.

  19. 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

  20. Distribution of polycyclic aromatic hydrocarbons (PAH's) in marsh sediments, Iraq

    SciTech Connect (OSTI)

    Al-Saad, H.T.; Al-Timari, A.A. )

    1989-12-01

    Recently there has been a growing concern in the release of harmful organics into the environment. Carcinogenic polycyclic aromatic hydrocarbons (PAH's) are a class of compounds of interset due to their possible harmful effects to man as well as organisms. Anthropogenic PAH's may reach aquatic environment as a result of both industrial and domestic effluents, deposition of airborne particles, surface runoff and oil spillage. Having a relatively low water solubility and high affinity to sorb to the suspended particulate matter, most of the PAH's introduced to the aquatic environment tend to accumulate in bottom sediments. Sedimentary PAH's may thus provide a record of the input and history of these pollutants. Consequently, the distribution of PAH's in aquatic sediments have received considerable attention. The purpose of the present work was to establish the distribution of PAH's in the sediments of the marsh region located in southern Iraq.

  1. Extremely strong tubular stacking of aromatic oligoamide macrocycles

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

    Kline, Mark A.; Wei, Xiaoxi; Horner, Ian J.; Liu, Rui; Chen, Shuang; Chen, Si; Yung, Ka Yi; Yamato, Kazuhiro; Cai, Zhonghou; Bright, Frank V.; et al

    2014-09-16

    As the third-generation rigid macrocycles evolved from progenitor 1, cyclic aromatic oligoamides 3, with a backbone of reduced constraint, exhibit extremely strong stacking with an astoundingly high affinity (estimated lower limit of K-dimer > 1013 M-1 in CHCl3), which leads to dispersed tubular stacks that undergo further assembly in solution. Computational study reveals a very large binding energy (-49.77 kcal mol-1) and indicates highly cooperative local dipole interactions that account for the observed strength and directionality for the stacking of 3. In the solid-state, X-ray diffraction (XRD) confirms that the aggregation of 3 results in well-aligned tubular stacks. Furthermore, themore » persistent tubular assemblies of 3, with their non-deformable sub-nm pore, are expected to possess many interesting functions. One such function, transmembrane ion transport, is observed for 3.« less

  2. Extremely strong tubular stacking of aromatic oligoamide macrocycles

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

    Kline, Mark A.; Wei, Xiaoxi; Horner, Ian J.; Liu, Rui; Chen, Shuang; Chen, Si; Yung, Ka Yi; Yamato, Kazuhiro; Cai, Zhonghou; Bright, Frank V.; et al

    2015-01-01

    As the third-generation rigid macrocycles evolved from progenitor 1, cyclic aromatic oligoamides 3, with a backbone of reduced constraint, exhibit extremely strong stacking with an astoundingly high affinity (estimated lower limit of Kdimer > 1013 M-1 in CHCl3), which leads to dispersed tubular stacks that undergo further assembly in solution. Computational study reveals a very large binding energy (-49.77 kcal mol-1) and indicates highly cooperative local dipole interactions that account for the observed strength and directionality for the stacking of 3. In the solid-state, X-ray diffraction (XRD) confirms that the aggregation of 3 results in well-aligned tubular stacks. The persistentmore » tubular assemblies of 3, with their non-deformable sub-nm pore, are expected to possess many interesting functions. One such function, transmembrane ion transport, is observed for 3.« less

  3. Extremely strong tubular stacking of aromatic oligoamide macrocycles

    SciTech Connect (OSTI)

    Kline, Mark A.; Wei, Xiaoxi; Horner, Ian J.; Liu, Rui; Chen, Shuang; Chen, Si; Yung, Ka Yi; Yamato, Kazuhiro; Cai, Zhonghou; Bright, Frank V.; Zeng, Xiao Cheng; Gong, Bing

    2015-01-01

    As the third-generation rigid macrocycles evolved from progenitor 1, cyclic aromatic oligoamides 3, with a backbone of reduced constraint, exhibit extremely strong stacking with an astoundingly high affinity (estimated lower limit of Kdimer > 1013 M-1 in CHCl3), which leads to dispersed tubular stacks that undergo further assembly in solution. Computational study reveals a very large binding energy (-49.77 kcal mol-1) and indicates highly cooperative local dipole interactions that account for the observed strength and directionality for the stacking of 3. In the solid-state, X-ray diffraction (XRD) confirms that the aggregation of 3 results in well-aligned tubular stacks. The persistent tubular assemblies of 3, with their non-deformable sub-nm pore, are expected to possess many interesting functions. One such function, transmembrane ion transport, is observed for 3.

  4. Rapid microwave hydrothermal synthesis of ZnGa{sub 2}O{sub 4} with high photocatalytic activity toward aromatic compounds in air and dyes in liquid water

    SciTech Connect (OSTI)

    Sun Meng; Li Danzhen; Zhang Wenjuan; Chen Zhixin; Huang Hanjie; Li Wenjuan; He Yunhui; Fu Xianzhi

    2012-06-15

    ZnGa{sub 2}O{sub 4} was synthesized from Ga(NO{sub 3}){sub 3} and ZnCl{sub 2} via a rapid and facile microwave-assisted hydrothermal method. The photocatalytic properties of the as-prepared ZnGa{sub 2}O{sub 4} were evaluated by the degradation of pollutants in air and aqueous solution under ultraviolet (UV) light illumination. The results demonstrated that ZnGa{sub 2}O{sub 4} had exhibited efficient photocatalytic activities higher than that of commercial P25 (Degussa Co.) in the degradation of benzene, toluene, and ethylbenzene, respectively. In the liquid phase degradation of dyes (methyl orange, Rhodamine B, and methylene blue), ZnGa{sub 2}O{sub 4} has also exhibited remarkable activities higher than that of P25. After 32 min of UV light irradiation, the decomposition ratio of methyl orange (10 ppm, 150 mL) over ZnGa{sub 2}O{sub 4} (0.06 g) was up to 99%. The TOC tests revealed that the mineralization ratio of MO (10 ppm, 150 mL) was 88.1% after 90 min of reaction. A possible mechanism of the photocatalysis over ZnGa{sub 2}O{sub 4} was also proposed. - Graphical abstract: In the degradation of RhB under UV light irradiation, ZnGa{sub 2}O{sub 4} had exhibited efficient photo-activity, and after only 24 min of irradiation the decomposition ratio was up to 99.8%. Highlights: Black-Right-Pointing-Pointer A rapid and facile M-H method to synthesize ZnGa{sub 2}O{sub 4} photocatalyst. Black-Right-Pointing-Pointer The photocatalyst exhibits high activity toward benzene and dyes. Black-Right-Pointing-Pointer The catalyst possesses more surface hydroxyl sites than TiO{sub 2} (P25). Black-Right-Pointing-Pointer Deep oxidation of different aromatic compounds and dyes over catalyst.

  5. Table of Contents

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

    COMMUNICATIONS REQUIREMENTS OF SMART GRID TECHNOLOGIES October 5, 2010 i Table of Contents I. Introduction and Executive Summary.......................................................... 1 a. Overview of Smart Grid Benefits and Communications Needs................. 2 b. Summary of Recommendations .................................................................... 5 II. Federal Government Smart Grid Initiatives ................................................ 7 a. DOE Request for Information

  6. TABLE OF CONTENTS

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

    DE-EM0001840 Page 2 of 108 WIPP Transportation Services Table of Contents SECTION B - SUPPLIES OR SERVICES AND PRICES/COSTS ................................................................ 3 SECTION C - DESCRIPTION/SPECIFICTIONS ....................................................................................... 10 SECTION D -PACKAGING AND MARKING .............................................................................................. 34 SECTION E - INSPECTION AND ACCEPTANCE

  7. Computer Simulations Reveal Multiple Functions for Aromatic Residues in Cellulase Enzymes (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-07-01

    NREL researchers use high-performance computing to demonstrate fundamental roles of aromatic residues in cellulase enzyme tunnels. National Renewable Energy Laboratory (NREL) computer simulations of a key industrial enzyme, the Trichoderma reesei Family 6 cellulase (Cel6A), predict that aromatic residues near the enzyme's active site and at the entrance and exit tunnel perform different functions in substrate binding and catalysis, depending on their location in the enzyme. These results suggest that nature employs aromatic-carbohydrate interactions with a wide variety of binding affinities for diverse functions. Outcomes also suggest that protein engineering strategies in which mutations are made around the binding sites may require tailoring specific to the enzyme family. Cellulase enzymes ubiquitously exhibit tunnels or clefts lined with aromatic residues for processing carbohydrate polymers to monomers, but the molecular-level role of these aromatic residues remains unknown. In silico mutation of the aromatic residues near the catalytic site of Cel6A has little impact on the binding affinity, but simulation suggests that these residues play a major role in the glucopyranose ring distortion necessary for cleaving glycosidic bonds to produce fermentable sugars. Removal of aromatic residues at the entrance and exit of the cellulase tunnel, however, dramatically impacts the binding affinity. This suggests that these residues play a role in acquiring cellulose chains from the cellulose crystal and stabilizing the reaction product, respectively. These results illustrate that the role of aromatic-carbohydrate interactions varies dramatically depending on the position in the enzyme tunnel. As aromatic-carbohydrate interactions are present in all carbohydrate-active enzymes, the results have implications for understanding protein structure-function relationships in carbohydrate metabolism and recognition, carbon turnover in nature, and protein engineering strategies for

  8. Contents TRU Waste Celebration

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

    9 September 2005 A publication for all members of the NNSA/NSO family Contents TRU Waste Celebration by Katherine Schwartz On July 28, 2005, Bechtel Nevada hosted a function to commemorate the dedication and hard work of every Joanne Norton of meeting the milestone of completion of characterization of all legacy waste drums stored at the NTS for 30 years." , assistant general manager for Environmental Management at BN, was equally pleased. making direct contact with it. the dedicated

  9. 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.

  10. Density and viscosity for mixtures of propanoic acid with aromatic hydrocarbons at 298.15 K

    SciTech Connect (OSTI)

    Singh, M.; Gupta, P.C.; Kesharwani, R.N.

    1995-03-01

    The density and viscosity of binary mixtures of propanic acid + benzene, + toluene, and + o-, + m-, and + p-xylenes have been measured at 298.15 K. Excess volumes have been calculated. The interactions existing between the components have been discussed. The results are used to theoretically justify the validity of the viscosity models.

  11. Metabolic analysis of the soil microbe Dechloromonas aromatica str. RCB: indications of a surprisingly complex life-style and cryptic anaerobic pathways for aromatic degradation

    SciTech Connect (OSTI)

    Salinero, Kennan Kellaris; Keller, Keith; Feil, William S.; Feil, Helene; Trong, Stephan; Di Bartolo, Genevieve; Lapidus, Alla

    2008-11-17

    Initial interest in Dechloromonas aromatica strain RCB arose from its ability to anaerobically degrade benzene. It is also able to reduce perchlorate and oxidize chlorobenzoate, toluene, and xylene, creating interest in using this organism for bioremediation. Little physiological data has been published for this microbe. It is considered to be a free-living organism. The a priori prediction that the D. aromatica genome would contain previously characterized 'central' enzymes involved in anaerobic aromatic degradation proved to be false, suggesting the presence of novel anaerobic aromatic degradation pathways in this species. These missing pathways include the benzyl succinyl synthase (bssABC) genes (responsible for formate addition to toluene) and the central benzoylCoA pathway for monoaromatics. In depth analyses using existing TIGRfam, COG, and InterPro models, and the creation of de novo HMM models, indicate a highly complex lifestyle with a large number of environmental sensors and signaling pathways, including a relatively large number of GGDEF domain signal receptors and multiple quorum sensors. A number of proteins indicate interactions with an as yet unknown host, as indicated by the presence of predicted cell host remodeling enzymes, effector enzymes, hemolysin-like proteins, adhesins, NO reductase, and both type III and type VI secretory complexes. Evidence of biofilm formation including a proposed exopolysaccharide complex with the somewhat rare exosortase (epsH), is also present. Annotation described in this paper also reveals evidence for several metabolic pathways that have yet to be observed experimentally, including a sulphur oxidation (soxFCDYZAXB) gene cluster, Calvin cycle enzymes, and nitrogen fixation (including RubisCo, ribulose-phosphate 3-epimerase, and nif gene families, respectively). Analysis of the D. aromatica genome indicates there is much to be learned regarding the metabolic capabilities, and life-style, for this microbial species

  12. 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.

  13. Personalized professional content recommendation

    SciTech Connect (OSTI)

    Xu, Songhua

    2015-10-27

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

  14. Personalized professional content recommendation

    DOE Patents [OSTI]

    Xu, Songhua

    2015-11-05

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

  15. Microsoft Word - contents

    Office of Legacy Management (LM)

    GJO-2001-272-TAR MAC-GWDUR 1.1 UMTRA Ground Water Project Site Observational Work Plan for the Durango, Colorado, UMTRA Project Site January 2002 Prepared by U.S. Department of Energy Grand Junction Office Grand Junction, Colorado Project Number UGW 511-0006-10-000 Document Number U0143200 Work Performed Under DOE Contract Number DE-AC13-96GJ87335 This page intentionally left blank Document Number U0143200 Contents DOE/Grand Junction Office Site Observational Work Plan -Durango, Colorado January

  16. Estimating the aqueous solubility of aromatic hydrocarbons by high performance liquid chromatography

    SciTech Connect (OSTI)

    Whitehouse, B.G.; Cooke, R.C.

    1982-01-01

    Empirical equations which correlate high performance liquid chromatography capacity factor (k') to aromatic hydrocarbon aqueous solubility are developed. The correlations of k' to octanol-water partition coefficients, and k' to hydrocarbon surface area are also shown.

  17. 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.

  18. DUSTY WINDS: EXTRAPLANAR POLYCYCLIC AROMATIC HYDROCARBON FEATURES OF NEARBY GALAXIES

    SciTech Connect (OSTI)

    McCormick, Alexander; Veilleux, Sylvain; Rupke, David S. N. E-mail: veilleux@astro.umd.edu

    2013-09-10

    Recent observations have shown the presence of dust and molecular material in galactic winds, but relatively little is known about the distribution of these outflow components. To shed some light on this issue, we have used IRAC images from the Spitzer Space Telescope archive to investigate polycyclic aromatic hydrocarbon (PAH) emission from a sample of 16 local galaxies with known winds. Our focus on nearby sources (median distance 8.6 Mpc) has revealed detailed PAH structure in the winds and allowed us to measure extraplanar PAH emission. We have identified extraplanar PAH features on scales of {approx}0.8-6.0 kpc. We find a nearly linear correlation between the amount of extraplanar PAH emission and the total infrared flux, a proxy for star formation activity in the disk. Our results also indicate a correlation between the height of extraplanar PAH emission and star formation rate surface density, which supports the idea of a surface density threshold on the energy or momentum injection rate for producing detectable extraplanar wind material.

  19. Atmospheric transport and outflow of polycyclic aromatic hydrocarbons from China

    SciTech Connect (OSTI)

    Chang Lang; Shu Tao; Wenxin Liu; Yanxu Zhang; Staci Simonich

    2008-07-15

    A potential receptor influence function (PRIF) model, based on air mass forward trajectory calculations, was applied to simulate the atmospheric transport and outflow of polycyclic aromatic hydrocarbons (PAHs) emitted from China. With a 10 day atmospheric transport time, most neighboring countries and regions, as well as remote regions, were influenced by PAH emissions from China. Of the total annual PAH emission of 114 Gg, 92.7% remained within the boundary of mainland China. The geographic distribution of PRIFs within China was similar to the geographic distribution of the source regions, with high values in the North China Plain, Sichuan Basin, Shanxi, and Guizhou province. The Tarim basin and Sichuan basin had unfavorable meteorological conditions for PAH outflow. Of the PAH outflow from China (8092 tons or 7.1% of the total annual PAH emission), approximately 69.9% (5655 tons) reached no further than the offshore environment of mainland China and the South China Sea. Approximate 227, 71, 746, and 131 tons PAHs reached North Korea, South Korea, Russia-Mongolia region, and Japan, respectively, 2-4 days after the emission. Only 1.4 tons PAHs reached North America after more than 9 days. Interannual variation in the eastward PAH outflow was positively correlated to cold episodes of El Nino/Southern Oscillation. However, trans-Pacific atmospheric transport of PAHs from China was correlated to Pacific North America index (PNA) which is associated with the strength and position of westerly winds. 38 refs., 4 figs.

  20. Selective aromatization of C[sub 3]- and C[sub 4]-paraffins over modified encilite catalysts: 2. Kinetics of n-butane aromatization

    SciTech Connect (OSTI)

    Jana, A.K.; Rao, M.S. . Dept. of Chemical Engineering)

    1993-11-01

    The kinetics of the aromatization of n-butane over Zn-encilite catalyst was studied in a fixed bed reactor under steady-state conditions at atmospheric pressure and in the temperature range of 480--540 C. The experimental data were analyzed, and a dual-site mechanism was proposed. Six rate equations of the Langmuir-Hinshelwood type were tested. The unknown parameters in the rate equations were estimated by a nonlinear regression method. A kinetic equation for n-butane aromatization is proposed.

  1. Two-Step Process Converts Lignin into Simple Aromatic Compounds - Energy

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

    Innovation Portal Two-Step Process Converts Lignin into Simple Aromatic Compounds Great Lakes Bioenergy Research Center Contact GLBRC About This Technology Technology Marketing Summary Lignin is a major component of non-edible biomass. It is a cheap byproduct of pulp and biofuel production and is one of the few naturally occurring sources of valuable aromatic compounds. Converting lignin's complex biopolymer structure into simple organic chemicals has attracted major interest. For example,

  2. Distribution of polycyclic aromatic hydrocarbons in fly ash during coal and residual char combustion in a pressurized fluidized bed

    SciTech Connect (OSTI)

    Hongcang Zhou; Baosheng Jin; Rui Xiao; Zhaoping Zhong; Yaji Huang

    2009-04-15

    To investigate the distribution of polycyclic aromatic hydrocarbons (PAHs) in fly ash, the combustion of coal and residual char was performed in a pressurized spouted fluidized bed. After Soxhlet extraction and Kuderna-Danish (K-D) concentration, the contents of 16 PAHs recommended by the United States Environmental Protection Agency (U.S. EPA) in coal, residual char, and fly ash were analyzed by a high-performance liquid chromatography (HPLC) coupled with fluorescence and diode array detection. The experimental results show that the combustion efficiency is lower and the carbon content in fly ash is higher during coal pressurized combustion, compared to the residual char pressurized combustion at the pressure of 0.3 MPa. Under the same pressure, the PAH amounts in fly ash produced from residual char combustion are lower than that in fly ash produced from coal combustion. The total PAHs in fly ash produced from coal and residual char combustion are dominated by three- and four-ring PAHs. The amounts of PAHs in fly ash produced from residual char combustion increase and then decrease with the increase of pressure in a fluidized bed. 21 refs., 1 fig., 4 tabs.

  3. Environmental diagnostic analysis of ground water bacteria and their involvement in utilization of aromatic compounds

    SciTech Connect (OSTI)

    Wear, J.E. Jr.

    1993-05-01

    The objective of this study was to examine the hypothesis that select functional groups of bacteria from pristine sites have an innate ability to degrade synthetic aromatics that often contaminate groundwater environments,due to exposure to naturally occurring recalcitrant aromatics in their environment. This study demonstrates that subsurface microbial communities are capable of utilizing lignin and humic acid breakdown products. Utilizers of these compounds were found to be present in most all the wells tested. Even the deepest aquifer tested had utilizers present for all six of the aromatics tested. Highest counts for the aromatics tested were observed with the naturally occurring breakdown products of either lignin or humic acid. Carboxylic acids were found to be an important sole carbon source for groundwater bacteria possibly explained by the fact that they are produced by the oxidative cleavage of aromatic ring structures. The carbohydrate sole carbon sources that demonstrated the greatest densities were ones commonly associated with humics. This study indicates that utilization of naturally occurring aromatic compounds in the subsurface is an important nutritional source for groundwater bacteria. In addition, it suggests that adaptation to naturally occurring recalcitrant substrates is the origin of degradative pathways for xenobiotic compounds with analogous structure. This work has important implications for in situ bioremediation as a method of environmental cleanup.

  4. Web Content Analysis and Inventories

    Broader source: Energy.gov [DOE]

    The Office of Energy Efficiency and Renewable Energy (EERE) recommends periodic content inventories and analyses of its websites. They will help identify content that needs to be updated, edited, added, or removed for maintenance.

  5. THE AROMATIC FEATURES IN VERY FAINT DWARF GALAXIES

    SciTech Connect (OSTI)

    Wu Ronin; Hogg, David W.; Moustakas, John

    2011-04-01

    We present optical and mid-infrared photometry of a statistically complete sample of 29 dwarf galaxies (M{sub r} > - 15 mag) selected from the Sloan Digital Sky Survey (SDSS) spectroscopic sample and observed in the mid-infrared with Spitzer IRAC. This sample contains nearby (redshift {approx}<0.005) galaxies 3 mag fainter than previously studied samples. We compare our sample with other star-forming galaxies that have been observed with both IRAC and SDSS. We examine the relationship of the infrared color, [3.6]-[7.8], sensitive to polycyclic aromatic hydrocarbon (PAH) abundance and also hot dust and stellar continuum, with star formation rates (SFRs), oxygen abundances, and radiation hardness, all estimated by optical emission lines. Consistent with studies of more luminous dwarfs, we find that these dwarf galaxies show much redder [3.6]-[7.8] color than luminous galaxies with similar specific SFRs. Unlike luminous galaxies, we find that these dwarf galaxies show no significant dependence at all of the [3.6]-[7.8] color on SFR, oxygen abundance, or radiation hardness, despite the fact that the sample spans a significant range in all of these quantities. When the dwarfs in our sample are compared with more luminous dwarfs, we find that the [3.6]-[7.8] color, potentially tracing the PAH emission, depends on oxygen abundance and radiation hardness. However, these two parameters are correlated with one another as well; we break this degeneracy by looking at the PAH-oxygen abundance relation at a fixed radiation hardness and the PAH-hardness relation at a fixed oxygen abundance. This test shows that the [3.6]-[7.8] color in dwarf galaxies appears to depend more directly on oxygen abundance based on the data currently available.

  6. Kinetics and mechanisms of reactions involving small aromatic reactive intermediates

    SciTech Connect (OSTI)

    Lin, M.C.

    1993-12-01

    Small aromatic radicals such as C{sub 6}H{sub 5}, C{sub 6}H{sub 5}O and C{sub 6}H{sub 4} are key prototype species of their homologs. C{sub 6}H{sub 5} and its oxidation product, C{sub 6}H{sub 5}O are believed to be important intermediates which play a pivotal role in hydrocarbon combustion, particularly with regard to soot formation. Despite their fundamental importance, experimental data on the reaction mechanisms and reactivities of these species are very limited. For C{sub 6}H{sub 5}, most kinetic data except its reactions with NO and NO{sub 2}, were obtained by relative rate measurements. For C{sub 6}H{sub 5}O, the authors have earlier measured its fragmentation reaction producing C{sub 5}H{sub 5} + CO in shock waves. For C{sub 6}H{sub 4}, the only rate constant measured in the gas phase is its recombination rate at room temperature. The authors have proposed to investigate systematically the kinetics and mechanisms of this important class of molecules using two parallel laser diagnostic techniques--laser resonance absorption (LRA) and resonance enhanced multiphoton ionization mass spectrometry (REMPI/MS). In the past two years, study has been focused on the development of a new multipass adsorption technique--the {open_quotes}cavity-ring-down{close_quotes} technique for kinetic applications. The preliminary results of this study appear to be quite good and the sensitivity of the technique is at least comparable to that of the laser-induced fluorescence method.

  7. Simulation of polycyclic aromatic hydrocarbons transport in multimedia

    SciTech Connect (OSTI)

    Chen, L.; Chu, C.J.

    1999-07-01

    Many studies have indicated that the threat from toxic air pollutants such as VOCs comes not through inhalation by humans while the pollutants are in a gaseous state but through absorption when the pollutants are in a solid state such as in an aerosol or particulate form. Pollutants such as Polycyclic Aromatic Hydrocarbons (PAHs) usually exist in a semi-volatile state. To assess the risk of the PAHs, one needs to estimate the dose of the pollutants to which a human would be exposed through various pathways. In this study, the authors modified a Spatial Multimedia Compartmental Model (SMCM) originally developed by UCLA Professor Cohen to predict the PAHs distribution among multimedia such as air, water, soil and sediment in the Taipei metropolitan area. Three PAHs were considered in this study. They are Benzo(a)pyrene, Pyrene and Chrysene. When PAHs are emitted into atmosphere, physical and chemical mechanisms may redistribute the PAHs among multimedia. Five cases of PAHs distribution in multimedia were simulated: (1) PAHs distribution in a dry condition, (2) PAHs distribution when there are different dry deposition velocities, (3) PAHs distribution under a single rainfall event, (4) PAHs distribution when there are different soil properties, (5) PAHs distribution under a random rainfall case. The simulation results are concluded: (1) In the dry case, the PAHs accumulate mostly in soil and air compartments, (2) Different dry depositing velocities will affect the PAHs distribution among compartments. (3) Different soil properties affect the PAHs concentration in the soil and sediment compartments, (4) The soil PAHs concentrations usually increase for those PAHs with a high solid/gas ratio. (5) The random rainfall only affects the PAHs concentration in the soil.

  8. Process for removing halogenated aliphatic and aromatic compounds from petroleum products

    DOE Patents [OSTI]

    Googin, J.M.; Napier, J.M.; Travaglini, M.A.

    1983-09-20

    A process is described for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 1 fig.

  9. Process for removing halogenated aliphatic and aromatic compounds from petroleum products

    DOE Patents [OSTI]

    Googin, John M.; Napier, John M.; Travaglini, Michael A.

    1983-01-01

    A process for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced.

  10. Effect of the complex-forming characteristics of aromatic solvents on the selectivity of free-radical chlorination. Chlorination of 2-chloropropane

    SciTech Connect (OSTI)

    Aver'yanov, V.A.; Ruban, S.G.

    1987-11-20

    During investigation of the effect of six solvents of aromatic nature on the selectivity of the free-radical chlorination of 2-chloropropane it was found that the (CH/sub 3/CCl/sub 2/CH/sub 3/)/(CH/sub 3/CHClCH/sub 2/Cl) ratio increases with increase in the content of the solvent in the reaction mixture and with decrease in the temperature. The obtained data were interpreted by a mechanism involving the formation of ..pi.. complexes between the chlorine atoms and the aromatic molecules ArH ..-->.. Cl/sup dot/ as particles responsible for the selective effect of the solvents. On the basis of the adopted mechanism an equation was obtained for the selectivity of the process with parameters reflecting the relative reactivities of the various C-H bonds in the 2-chloropropane during their reaction with the chlorine atoms and the ArH ..-->.. Cl/sup dot/ complexes. The differences in the activation energies of the competing reactions of the C-H bonds with ArH ..-->.. Cl/sup dot/ correlate with the electron-donating characteristics of the solvent molecules.

  11. Fusing porphyrins with polycyclic aromatic hydrocarbons and heterocycles for optoelectronic applications

    DOE Patents [OSTI]

    Thompson, Mark E.; Diev, Viacheslav; Hanson, Kenneth; Forrest, Stephen R.

    2015-08-18

    A compound that can be used as a donor material in organic photovoltaic devices comprising a non-activated porphyrin fused with one or more non-activated polycyclic aromatic rings or one or more non-activated heterocyclic rings can be obtained by a thermal fusion process. The compounds can include structures of Formula I: ##STR00001## By heating the reaction mixture of non-activated porphyrins with non-activated polycyclic aromatic rings or heterocyclic rings to a fusion temperature and holding for a predetermined time, fusion of one or more polycyclic rings or heterocyclic rings to the non-activated porphyrin core in meso,.beta. fashion is achieved resulting in hybrid structures containing a distorted porphyrin ring with annulated aromatic rings. The porphyrin core can be olygoporphyrins.

  12. ,"California Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","California Heat Content of Natural Gas ... 10:59:46 AM" "Back to Contents","Data 1: California Heat Content of Natural Gas Consumed

  13. ,"Virginia Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","Virginia Heat Content of Natural Gas ... 11:00:21 AM" "Back to Contents","Data 1: Virginia Heat Content of Natural Gas Consumed

  14. ,"Oklahoma Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","Oklahoma Heat Content of Natural Gas ... 11:00:12 AM" "Back to Contents","Data 1: Oklahoma Heat Content of Natural Gas Consumed

  15. Alternative descriptions of catalyst deactivation in aromatization of propane and butane

    SciTech Connect (OSTI)

    Koshelev, Yu.N.; Vorob`ev, B.L.; Khvorova, E.P.

    1995-08-20

    Deactivation of a zeolite-containing catalyst has been studied in aromatization of propane and butane. Various descriptions of the dependence of the alkane conversion on the coke concentration on the catalyst have been considered, and using a statistical method of estimating the model validity, the most preferable form of the deactivation function has been proposed.

  16. Influence of temperature and process duration on composition of products of butane aromatization on zeolitic catalyst

    SciTech Connect (OSTI)

    Vorob`ev, B.L.; Trishin, P.Yu.; Koshelev, Yu.N.

    1995-06-10

    A study has been made of the influence of catalyst deactivation in the course of its service. The composition of products of butane aromatization on zeolitic catalyst and on selectivity of formation of target products and by-products is reported.

  17. 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.

  18. 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.

  19. 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.

  20. Visual Analysis of Weblog Content

    SciTech Connect (OSTI)

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

    2007-03-26

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

  1. 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.

  2. JOBAID-LAUNCHING ONLINE CONTENT

    Broader source: Energy.gov [DOE]

    In this jobaid you will learn how to launch Online Content "Items" or Courses. In the LMS you can launch most anything as an "item": documents, courses, webpages and track users that have completed...

  3. ARM - Measurement - Ice water content

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

    content 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 Measurement : Ice water content The concentration (mass/vol) of ice water particles in a cloud. Categories Cloud Properties, Atmospheric State Instruments The above measurement is considered scientifically relevant for the following instruments. Refer to the datastream (netcdf) file headers of each instrument for a list of all available measurements, including

  4. ARM - Measurement - Liquid water content

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

    content 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 Measurement : Liquid water content The concentration (mass/vol) of liquid water droplets in a cloud. Categories Cloud Properties Instruments The above measurement is considered scientifically relevant for the following instruments. Refer to the datastream (netcdf) file headers of each instrument for a list of all available measurements, including those recorded

  5. contents

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

    2-0729 Unlimited Release Printed April 2002 Sandia SCADA Program High-Security SCADA LDRD Final Report Rolf Carlson Prepared by Sandia National Laboratories Albuquerque, New Mexico 87185 and Livermore, California 94550 Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. Approved for public release; further dissemination unlimited. Issued by Sandia National Laboratories,

  6. CONTENTS

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

    organization (such as Safety or Quality Assurance). Depending upon the site-specific organizational structure, the following reviewapprovals are recommended: DOERL-92-36,...

  7. Contents

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

    items, remeasurements and stranded cost recoveries 101 Note 5 - Finance income and ... 147 Note 33 - Sensitivities on areas of estimation and uncertainty 148 Note 34 - ...

  8. CONTENTS

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

    responsible contractor's processes and, as a minimum, shall be signed and dated by the following: 1. Technical Approver (see Appendix A for definition) 2. Manager responsible...

  9. Contents

    National Nuclear Security Administration (NNSA)

    ... by creating a set of ALOHA save files or (b) to be able to rerun a scenario in the future. ... for elevation, latitude, and longitude to calculate solar radiation and air pressure. ...

  10. Aromatic-Hydroxyl Interaction of a Lignin Model Compound on SBA-15, Present at Pyrolysis Temperatures

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

    Kandziolka, III, Michael V.; Kidder, Michelle; Gill, Lance W.; Wu, Zili; Savara, Aditya Ashi

    2014-07-14

    An aromatic alpha-aryl ether compound (a benzyl phenyl ether analogue) was covalently grafted to mesoporous silica SBA-15, to create BPEa-SBA-15. The BPEa-SBA-15 was subjected to successive heating cycles up to 600 °C, with in situ monitoring by DRIFTS. It was found that the toluene moiety coordinates to SBA-15 surface silanol hydroxyl groups via an aromatic–hydroxyl interaction. This interaction is evidenced by a red-shift of the aromatic C–H stretches, as well as a red-shift and broadening of the surface hydroxyl O–H stretches, which are features characteristic of a hydrogen bond. These features remain present during heating until ~400 °C whereupon themore » ether linkage of BPEa-SBA-15 is cleaved, accompanied by loss of the toluene moiety.« less

  11. Synthetic fuel aromaticity and staged combustion. First quarterly technical progress report, September 23-December 31, 1980

    SciTech Connect (OSTI)

    Levy, Arthur; Longanbach, James R.; Chan, Lisa K.

    1981-01-28

    Synthetic liquid fuels, otherwise referred to as synfuels or coal-derived liquids, are probably best characterized from a combustion-environmental point of view as low in hydrogen, low in sulfur, high in nitrogen, and high in aromatics. As a consequence two of the more critical problems in synfuel combustion are NO/sub x/ formation and soot formation (and polycyclic organic matter). This program is directed to these two issues. At first hand the solutions to burning synfuels high in aromatics and fuel-bound nitrogen are diametrically opposed, i.e., high temperature and excess air keep soot levels down, low temperatures and vitiated air keep nitrogen oxide levels down. Staged combustion however offers a logical solution to the above. This program separates and analyzes the synfuel combustion problem via its component parts and then puts them together again phenomenologically via the stage combustion process.

  12. ,"Texas Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","Texas Heat Content of Natural Gas ...2016 6:34:00 AM" "Back to Contents","Data 1: Texas Heat Content of Natural Gas Consumed

  13. Asymmetric Intramolecular Alkylation of Chiral Aromatic Imines via Catalytic C-H Bond Activation

    SciTech Connect (OSTI)

    Watzke, Anja; Wilson, Rebecca; O'Malley, Steven; Bergman, Robert; Ellman, Jonathan

    2007-04-16

    The asymmetric intramolecular alkylation of chiral aromatic aldimines, in which differentially substituted alkenes are tethered meta to the imine, was investigated. High enantioselectivities were obtained for imines prepared from aminoindane derivatives, which function as directing groups for the rhodium-catalyzed C-H bond activation. Initial demonstration of catalytic asymmetric intramolecular alkylation also was achieved by employing a sterically hindered achiral imine substrate and catalytic amounts of a chiral amine.

  14. Addition of CFCl3 to Aromatic Aldehydes via in Situ Grignard Reaction

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

    Barkakaty, Balaka; Talukdar, Bandana; Lokitz, Bradley

    2015-08-18

    In the case of synthetic modification of trichlorofluoromethane (CFCl3) to non-volatile and useful fluorinated precursors, we realized that it is a cost-effective and an environmentally benign strategy for the safe consumption/destruction of the ozone depleting potential of the reagent. In our report, we present a novel method for in situ Grignard reaction using magnesium powder and CFCl3 for synthesis of dichlorofluoromethyl aromatic alcohols.

  15. 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.

  16. SECTION J - TABLE OF CONTENTS

    National Nuclear Security Administration (NNSA)

    Conformed to Mod 0108 DE-NA0000622 Section J Page i PART III - LIST OF DOCUMENTS, EXHIBITS, AND OTHER ATTACHMENTS SECTION J LIST OF APPENDICES TABLE OF CONTENTS Appendix A Statement of Work (Replaced by Mod 002; Modified Mod 016; Replaced Mod 029) Appendix B Performance Evaluation Plan (Replaced by Mods 002, 016, 020, 029, 0084) Appendix C Contractor's Transition Plan Appendix D Sensitive Foreign Nations Control Appendix E Performance Guarantee Agreement(s) Appendix F National Work Breakdown

  17. Density functional theory study of the interaction of vinyl radical, ethyne, and ethene with benzene, aimed to define an affordable computational level to investigate stability trends in large van der Waals complexes

    SciTech Connect (OSTI)

    Maranzana, Andrea E-mail: anna.giordana@hotmail.com E-mail: mauro.causa@unina.it Giordana, Anna E-mail: anna.giordana@hotmail.com E-mail: mauro.causa@unina.it Indarto, Antonius Tonachini, Glauco; Barone, Vincenzo E-mail: anna.giordana@hotmail.com E-mail: mauro.causa@unina.it; Causà, Mauro E-mail: anna.giordana@hotmail.com E-mail: mauro.causa@unina.it; Pavone, Michele E-mail: anna.giordana@hotmail.com E-mail: mauro.causa@unina.it

    2013-12-28

    Our purpose is to identify a computational level sufficiently dependable and affordable to assess trends in the interaction of a variety of radical or closed shell unsaturated hydro-carbons A adsorbed on soot platelet models B. These systems, of environmental interest, would unavoidably have rather large sizes, thus prompting to explore in this paper the performances of relatively low-level computational methods and compare them with higher-level reference results. To this end, the interaction of three complexes between non-polar species, vinyl radical, ethyne, or ethene (A) with benzene (B) is studied, since these species, involved themselves in growth processes of polycyclic aromatic hydrocarbons (PAHs) and soot particles, are small enough to allow high-level reference calculations of the interaction energy ΔE{sub AB}. Counterpoise-corrected interaction energies ΔE{sub AB} are used at all stages. (1) Density Functional Theory (DFT) unconstrained optimizations of the A−B complexes are carried out, using the B3LYP-D, ωB97X-D, and M06-2X functionals, with six basis sets: 6-31G(d), 6-311 (2d,p), and 6-311++G(3df,3pd); aug-cc-pVDZ and aug-cc-pVTZ; N07T. (2) Then, unconstrained optimizations by Møller-Plesset second order Perturbation Theory (MP2), with each basis set, allow subsequent single point Coupled Cluster Singles Doubles and perturbative estimate of the Triples energy computations with the same basis sets [CCSD(T)//MP2]. (3) Based on an additivity assumption of (i) the estimated MP2 energy at the complete basis set limit [E{sub MP2/CBS}] and (ii) the higher-order correlation energy effects in passing from MP2 to CCSD(T) at the aug-cc-pVTZ basis set, ΔE{sub CC-MP}, a CCSD(T)/CBS estimate is obtained and taken as a computational energy reference. At DFT, variations in ΔE{sub AB} with basis set are not large for the title molecules, and the three functionals perform rather satisfactorily even with rather small basis sets [6-31G(d) and N07T], exhibiting

  18. 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.

  19. 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.

  20. 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.

  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.; 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.

  2. Combined application of normal and reversed-phase high-performance liquid chromatography to determining the group composition of aromatic hydrocarbons in petroleum products

    SciTech Connect (OSTI)

    Belous, E.F.; Lanin, S.N.; Nikitin, Yu.S.

    1995-01-01

    The quality and working characteristics of motor fuels essentially depend on the concentration of aromatic hydrocarbons (AHs). Therefore, the development of procedures for the group determination of aromatic hydrocarbons is an important and topical problem in the processing and quality control of petroleum products. The aim of this work was to improve the group separation and quantitative determination of monocyclic and bicyclic aromatic hydrocarbons (MAH and BAH) in light-end products.

  3. CONTENTS OF A VISIT REQUEST

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

    CONTENTS OF A VISIT REQUEST All visit requests are required to be submitted via JPAS according to AFI 31-101 and the NISPOM. Our SMO code is KV1MFSCC6. Please do not send an annual visit request for the conference. Use the dates of the conference for the duration of the visit. Please list Bing Serafico, 505-853-0451 as the Point of Contract for the visit. NOTE: Only use the following information if your companies DO NOT have access to JPAS. All faxed visit request for personnel that are in JPAS

  4. Flash Vacuum Pyrolysis of Lignin Model Compounds: Reaction Pathways of Aromatic Methoxy Groups

    SciTech Connect (OSTI)

    Britt, P.F.; Buchanan, A.C., III; Martineau, D.R.

    1999-03-21

    Currently, there is interest in utilizing lignin, a major constituent of biomass, as a renewable source of chemicals and fuels. High yields of liquid products can be obtained from the flash or fast pyrolysis of biomass, but the reaction pathways that lead to product formation are not understood. To provide insight into the primary reaction pathways under process relevant conditions, we are investigating the flash vacuum pyrolysis (FVP) of lignin model compounds at 500 C. This presentation will focus on the FVP of {beta}-ether linkages containing aromatic methoxy groups and the reaction pathways of methoxy-substituted phenoxy radicals.

  5. Process for removing halogenated aliphatic and aromatic compounds from petroleum products. [Polychlorinated biphenyls; methylene chloride; perchloroethylene; trichlorofluoroethane; trichloroethylene; chlorobenzene

    DOE Patents [OSTI]

    Googin, J.M.; Napier, J.M.; Travaglini, M.A.

    1982-03-31

    A process for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contracting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible polyhydroxy compound, such as, water, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds in the low polar or nonpolar solvent by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered for recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 2 tables.

  6. Reduction of carbon content in waste-tire combustion ashes by bio-thermal treatment

    SciTech Connect (OSTI)

    Chen, C.C.; Lee, W.J.; Shih, S.I.; Mou, J.L.

    2009-07-01

    Application of bio-catalyst (NOE-7F) in thermal treatment can adequately dispose dark-black fly ashes from co-combustion of both waste tires and coal. After thermal treatment of fly ashes by adding 10% NOE-7F, the carbon contents reduced by 37.6% and the weight losses increased by 405%, compared with the fly ashes without mixing with NOE-7F. The combustion behaviors of wasted tires combustion fly ashes with NOE-7F were also investigated by both thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The results verify that NOE-7F has positive effects on the combustion of residual carbon and toxic polycyclic aromatic hydrocarbons (PAHs) enhance the energy release and reduce the toxicity during the process of thermal treatment. Furthermore, using NOE-7F to dispose high-carbon content fly ashes did improve the compressive strength of fly ashes and concrete mixtures. Therefore, NOE-7F is a promising additive which could decrease treatment cost of high-carbon content fly ashes and reduce the amount of survival toxic PAHs.

  7. Energy.gov Content Management System

    Broader source: Energy.gov [DOE]

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

  8. Template:ContentAssist | Open Energy Information

    Open Energy Info (EERE)

    ContentAssist Jump to: navigation, search This is the ContentAssist template. It is intended for inclusion on any page and will highlight extracted energy-related terms from the...

  9. A study on the coagulation of polycyclic aromatic hydrocarbon clusters to determine their collision efficiency

    SciTech Connect (OSTI)

    Raj, Abhijeet; Sander, Markus; Janardhanan, Vinod; Kraft, Markus [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA (United Kingdom)

    2010-03-15

    This paper presents a theoretical study on the physical interaction between polycyclic aromatic hydrocarbons (PAHs) and their clusters of different sizes in laminar premixed flames. Two models are employed for this study: a detailed PAH growth model, referred to as the kinetic Monte Carlo - aromatic site (KMC-ARS) model [Raj et al., Combust. Flame 156 (2009) 896-913]; and a multivariate PAH population balance model, referred to as the PAH - primary particle (PAH-PP) model. Both the models are solved by kinetic Monte Carlo methods. PAH mass spectra are generated using the PAH-PP model, and compared to the experimentally observed spectra for a laminar premixed ethylene flame. The position of the maxima of PAH dimers in the spectra and their concentrations are found to depend strongly on the collision efficiency of PAH coagulation. The variation in the collision efficiency with various flame and PAH parameters is studied to determine the factors on which it may depend. A correlation for the collision efficiency is proposed by comparing the computed and the observed spectra for an ethylene flame. With this correlation, a good agreement between the computed and the observed spectra for a number of laminar premixed ethylene flames is found. (author)

  10. Polycyclic aromatic hydrocarbons (PAH) formation from the pyrolysis of different municipal solid waste fractions

    SciTech Connect (OSTI)

    Zhou, Hui; Wu, Chunfei; Onwudili, Jude A.; Meng, Aihong; Zhang, Yanguo; Williams, Paul T.

    2015-02-15

    Highlights: • PAH from pyrolysis of 9 MSW fractions was investigated. • Pyrolysis of plastics released more PAH than that of biomass. • Naphthalene was the most abundant PAH in the tar. • The mechanism of PAH release from biomass and plastics was proposed. - Abstract: The formation of 2–4 ring polycyclic aromatic hydrocarbons (PAH) from the pyrolysis of nine different municipal solid waste fractions (xylan, cellulose, lignin, pectin, starch, polyethylene (PE), polystyrene (PS), polyvinyl chloride (PVC), and polyethylene terephthalate (PET)) were investigated in a fixed bed furnace at 800 °C. The mass distribution of pyrolysis was also reported. The results showed that PS generated the most total PAH, followed by PVC, PET, and lignin. More PAH were detected from the pyrolysis of plastics than the pyrolysis of biomass. In the biomass group, lignin generated more PAH than others. Naphthalene was the most abundant PAH, and the amount of 1-methynaphthalene and 2-methynaphthalene was also notable. Phenanthrene and fluorene were the most abundant 3-ring PAH, while benzo[a]anthracene and chrysene were notable in the tar of PS, PVC, and PET. 2-ring PAH dominated all tar samples, and varied from 40 wt.% to 70 wt.%. For PS, PET and lignin, PAH may be generated directly from the aromatic structure of the feedstock.

  11. Polycyclic aromatic hydrocarbon-DNA adducts and the CYP1A1 restriction fragment length polymorphism

    SciTech Connect (OSTI)

    Shields, P.G.; Bowman, E.D.; Weston, A.; Harris, C.C.; Sugimura, H.; Caporaso, N.E.; Petruzzelli, S.F. ); Trump, B.F. )

    1992-11-01

    Human cancer risk assessment at a genetic level involves the investigation of carcinogen metabolism and DNA adduct formation. Wide interindividual differences in metabolism result in different DNA adduct levels. For this and other reasons, many laboratories have considered DNA adducts to be a measure of the biologically effective dose of a carcinogen. Techniques for studying DNA adducts using chemically specific assays are becoming available. A modification of the [sup 32]P-postlabeling assay for polycyclic aromatic hydrocarbon DNA adducts described here provides potential improvements in quantification. DNA adducts, however, reflect only recent exposure to carcinogens; in contrast, genetic testing for metabolic capacity indicates the extent to which carcinogens can be activated and exert genotoxic effects. Such studies may reflect both separate and integrated risk factors together with DNA adduct levels. A recently described restriction fragment length polymorphism for the CYP1A1, which codes for the cytochrome P450 enzyme primarily responsible for the metabolic activation of carcinogenic polycyclic aromatic hydrocarbons, has been found to be associated with lung cancer risk in a Japanese population. In a subset of individuals enrolled in a US lung cancer case-control study, no association with lung cancer was found. 17 refs., 3 figs.

  12. Enhancing muconic acid production from glucose and lignin-derived aromatic compounds via increased protocatechuate decarboxylase activity

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

    Johnson, Christopher W.; Salvachua, Davinia; Khanna, Payal; Smith, Holly; Peterson, Darren J.; Beckham, Gregg T.

    2016-04-22

    The conversion of biomass-derived sugars and aromatic molecules to cis,cis-muconic acid (referred to hereafter as muconic acid or muconate) has been of recent interest owing to its facile conversion to adipic acid, an important commodity chemical. Metabolic routes to produce muconate from both sugars and many lignin-derived aromatic compounds require the use of a decarboxylase to convert protocatechuate (PCA, 3,4-dihydroxybenzoate) to catechol (1,2-dihydroxybenzene), two central aromatic intermediates in this pathway. Several studies have identified the PCA decarboxylase as a metabolic bottleneck, causing an accumulation of PCA that subsequently reduces muconate production. A recent study showed that activity of the PCAmore » decarboxylase is enhanced by co-expression of two genetically associated proteins, one of which likely produces a flavin-derived cofactor utilized by the decarboxylase. Using entirely genome-integrated gene expression, we have engineered Pseudomonas putida KT2440-derived strains to produce muconate from either aromatic molecules or sugars and demonstrate in both cases that co-expression of these decarboxylase associated proteins reduces PCA accumulation and enhances muconate production relative to strains expressing the PCA decarboxylase alone. In bioreactor experiments, co-expression increased the specific productivity (mg/g cells/h) of muconate from the aromatic lignin monomer p-coumarate by 50% and resulted in a titer of >15 g/L. In strains engineered to produce muconate from glucose, co-expression more than tripled the titer, yield, productivity, and specific productivity, with the best strain producing 4.92+/-0.48 g/L muconate. Furthermore, this study demonstrates that overcoming the PCA decarboxylase bottleneck can increase muconate yields from biomass-derived sugars and aromatic molecules in industrially relevant strains and cultivation conditions.« less

  13. 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.

  14. 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.

  15. Determination of the Average Aromatic Cluster Size of Fossil Fuels by Solid-State NMR at High Magnetic Field

    SciTech Connect (OSTI)

    Mao, Kanmi; Kennedy, Gordon J.; Althaus, Stacey M.; Pruski, Marek

    2013-01-07

    We show that the average aromatic cluster size in complex carbonaceous materials can be accurately determined using fast magic-angle spinning (MAS) NMR at a high magnetic field. To accurately quantify the nonprotonated aromatic carbon, we edited the 13C spectra using the recently reported MAS-synchronized spinecho, which alleviated the problem of rotational recoupling of 1H-13C dipolar interactions associated with traditional dipolar dephasing experiments. The dependability of this approach was demonstrated on selected Argonne Premium coal standards, for which full sets of basic structural parameters were determined with high accuracy.

  16. Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same

    DOE Patents [OSTI]

    Davis, Jeffery T.; Sidorov, Vladimir; Kotch, Frank W.

    2008-04-08

    A compound containing at least two aromatic rings covalently bonded together, with each aromatic ring containing at least one oxyacetamide-based side chain, the compound being capable of forming a chloride ion channel across a lipid bilayer, and transporting chloride ion across the lipid bilayer.

  17. 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.

  18. 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.

  19. 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

  20. Highly Fluorescent Group 13 Metal Complexes with Cyclic, Aromatic Hydroxamic Acid Ligands

    SciTech Connect (OSTI)

    Seitz, Michael; Moore, Evan G.; Raymond, Kenneth N.

    2008-02-11

    The neutral complexes of two ligands based on the 1-oxo-2-hydroxy-isoquinoline (1,2-HOIQO) motif with group 13 metals (Al, Ga, In) show bright blue-violet luminescence in organic solvents. The corresponding transition can be attributed to ligand-centered singlet emission, characterized by a small Stokes shifts of only a few nm combined with lifetimes in the range between 1-3 ns. The fluorescence efficiency is high, with quantum yields of up to 37% in benzene solution. The crystal structure of one of the indium(III) complexes (trigonal space group R-3, a = b = 13.0384(15) {angstrom}, c = 32.870(8) {angstrom}, ? = {beta} = 90{sup o}, {gamma} = 120{sup o}, V = 4839.3(14) {angstrom}{sup 3}, Z = 6) shows a six-coordinate geometry around the indium center which is close to trigonal-prismatic, with a twist angle between the two trigonal faces of 20.7{sup o}. Time-dependent density functional theory (TD-DFT) calculations (Al and Ga: B3LYP/6-31G(d)); In: B3LYP/LANL2DZ of the fac and mer isomers with one of the two ligands indicate that there is no clear preference for either one of the isomeric forms of the metal complexes. In addition, the metal centers do not have a significant influence on the electronic structure, and as a consequence, on the predominant intraligand optical transitions.

  1. Measurement of polycyclic aromatic hydrocarbons in the air along the niagara river

    SciTech Connect (OSTI)

    Hoff, R.M.; Chan, K.W.

    1987-06-01

    Two week-long studies in 1982-1983 have measure ambient concentrations of polycyclic aromatic hydrocarbons (PAH) and phthalate esters in air in both the particulate and gas phase along the US-Canadian border and the Niagara River. Concentrations of the PAH species monitored varied from 3 pg m/sup -3/ to 40 ng m/sup -3/. PAH's with three rings or less were found in significant proportions in the gas phase while larger molecules are almost solely in the particulate phase. Particulate components of the PAH loadings appear to originate locally with Buffalo, NY, Niagara Falls, NY, and Niagara Falls, Ontario, as probably sources. Gas-phase PAH components have a more regional character indicating regional or long-range transport. Levels of benzo(a)pyrene are consistent with previous particulate measurements made along the river since 1981.

  2. Nitrogen-doped porous aromatic frameworks for enhanced CO2 adsorption

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

    Fu, Jia; Wu, Jianzhong; Custelcean, Radu; Jiang, De-en

    2014-10-07

    Recently synthesized porous aromatic frameworks (PAFs) exhibit extremely high surface areas and exceptional thermal and hydrothermal stabilities. Using computer-aided design, we propose new PAFs, designated as NPAFs, by introducing nitrogen-containing groups to the biphenyl unit and predict their CO2 adsorption capacities with grand canonical Monte Carlo (GCMC) simulations. Among various NPAFs considered, one with imidazole groups shows the highest adsorption capacity for CO2 (11.5wt % at 1bar and 298K) , in comparison with 5wt % for the parent PAF (PAF- 1) at the same condition. At higher pressures (around 10bar) ,though, another NPAF with pyridinic N groups performs much bettermore » than the rest due to its greater pore volume in addition to the N functionality. This research suggests that adding N functionality to the organic linkers is a promising way to increase CO2 adsorption capacity of PAFs at ambient condition.« less

  3. Nitrogen-doped porous aromatic frameworks for enhanced CO2 adsorption

    SciTech Connect (OSTI)

    Fu, Jia; Wu, Jianzhong; Custelcean, Radu; Jiang, De-en

    2014-10-07

    Recently synthesized porous aromatic frameworks (PAFs) exhibit extremely high surface areas and exceptional thermal and hydrothermal stabilities. Using computer-aided design, we propose new PAFs, designated as NPAFs, by introducing nitrogen-containing groups to the biphenyl unit and predict their CO2 adsorption capacities with grand canonical Monte Carlo (GCMC) simulations. Among various NPAFs considered, one with imidazole groups shows the highest adsorption capacity for CO2 (11.5wt % at 1bar and 298K) , in comparison with 5wt % for the parent PAF (PAF- 1) at the same condition. At higher pressures (around 10bar) ,though, another NPAF with pyridinic N groups performs much better than the rest due to its greater pore volume in addition to the N functionality. This research suggests that adding N functionality to the organic linkers is a promising way to increase CO2 adsorption capacity of PAFs at ambient condition.

  4. Air pollution from a large steel factory: polycyclic aromatic hydrocarbon emissions from coke-oven batteries

    SciTech Connect (OSTI)

    Lorenzo Liberti; Michele Notarnicola; Roberto Primerano; Paolo Zannetti

    2006-03-15

    A systematic investigation of solid and gaseous atmospheric emissions from some coke-oven batteries of one of Europe's largest integrated steel factory (Taranto, Italy) has been carried out. These emissions, predominantly diffuse, originate from oven leakages, as well as from cyclic operations of coal loading and coke unloading. In air monitoring samples, polycyclic aromatic hydrocarbons (PAHs) were consistently detected at concentrations largely exceeding threshold limit values. By means of PAHs speciation profile and benzo-(a)pyrene (BaP) equivalent dispersion modeling from diffuse sources, the study indicated that serious health risks exist not only in working areas, but also in a densely populated residential district near the factory. 30 refs., 5 figs., 3 tabs.

  5. Rendering graphene supports hydrophilic with non-covalent aromatic functionalization for transmission electron microscopy

    SciTech Connect (OSTI)

    Pantelic, Radosav S., E-mail: pantelic@imbb.forth.gr [National Cancer Institute, 50 South Drive, Building 50, Room 4306, Bethesda, Maryland 20892 (United States); Fu, Wangyang; Schoenenberger, Christian [Department of Physics, University of Basel, Klingelbergstrasse 82, Basel CH-4056 (Switzerland); Stahlberg, Henning [Center for Cellular Imaging and NanoAnalytics, Biozentrum, University of Basel, Mattenstrasse 26, WRO-1058, Basel CH-4058 (Switzerland)

    2014-03-31

    Amorphous carbon films have been routinely used to enhance the preparation of frozen-hydrated samples for transmission electron microscopy (TEM), either in retaining protein concentration, providing mechanical stability or dissipating sample charge. However, strong background signal from the amorphous carbon support obstructs that of the sample, and the insulating properties of thin amorphous carbon films preclude any efficiency in dispersing charge. Graphene addresses the limitations of amorphous carbon. Graphene is a crystalline material with virtually no phase or amplitude contrast and unparalleled, high electrical carrier mobility. However, the hydrophobic properties of graphene have prevented its routine application in Cryo-TEM. This Letter reports a method for rendering graphene TEM supports hydrophilica convenient approach maintaining graphene's structural and electrical properties based on non-covalent, aromatic functionalization.

  6. Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties

    SciTech Connect (OSTI)

    Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li

    2013-09-15

    Three new metal-organic coordination polymers [Co(4-bbc){sub 2}(bbbm)] (1), [Co(3,5-pdc)(bbbm)]·2H{sub 2}O (2) and [Co(1,4-ndc)(bbbm)] (3) (4-Hbbc=4-bromobenzoic acid, 3,5-H{sub 2}pdc=3,5-pyridinedicarboxylic acid, 1,4-H{sub 2}ndc=1,4-naphthalenedicarboxylic acid and bbbm=1,1-(1,4-butanediyl)bis-1H-benzimidazole) were hydrothermally synthesized and structurally characterized. Polymer 1 is a 1D chain formed by the bbbm ligands and Co{sup II} ions. Polymer 2 exhibits a 2D network with a (3·4·5)(3{sup 2}·4·5·6{sup 2}·7{sup 4}) topology. Polymer 3 possesses a 3D three-fold interpenetrating framework. The versatile structures of title polymers indicate that the aromatic carboxylates have an important influence on the dimensionality of 1–3. Moreover, the thermal stability, electrochemical and luminescent properties of 1–3 were investigated. - graphical abstract: Three bis(benzimidazole)-based cobalt(II) coordination polymers tuned by aromatic carboxylates were hydrothermally synthesized and structurally characterized. The aromatic carboxylates play a key role in the dimensionality of three polymers. The electrochemical and luminescent properties of three polymers were investigated. Display Omitted - Highlights: • Three bis(benzimidazole)-based cobalt(II) coordination polymers tuned by aromatic carboxylates were obtained. • The aromatic carboxylates have an important influence on the dimensionality of three polymers. • The electrochemical and luminescent properties of three polymers were investigated.

  7. Standard Format and Content for Emergency Plans

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

    1997-08-21

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

  8. Energy.gov Content Management System Webforms

    Broader source: Energy.gov [DOE]

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

  9. ,"West Virginia Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","West Virginia Heat Content of Natural Gas ... AM" "Back to Contents","Data 1: West Virginia Heat Content of Natural Gas Consumed

  10. Investigation of chlorinated aromatic compounds in the environment: Methods development and data interpretation

    SciTech Connect (OSTI)

    Ding, Wanghsien.

    1989-01-01

    Detection of low levels of chlorinated benzene compounds (CLBZ) and polychlorinated biphenyls (PCBs) in soil samples has been investigated with respect to potential sources in an industrial area of western New York state. The extract obtained by steam distillation was used directly with minimal additional cleanup steps for high resolution gas chromatography/mass spectrometry (HRGC/MS) and high resolution gas chromatography with electron capture detection (HRGC/ECD) analysis. The Nielson-Kryger steam distillation technique was used to extract CLBZ compounds and PCB congeners from soil samples. The recoveries of the CLBZ compounds in soil samples were monitored by comparison of the response for the {sup 13}C-labelled analogues in each isomeric group. The mean recoveries from field samples ranged from 63% to 76%. The recoveries of PCB congeners were measured using four air-dried subsurface soils which were spiked with Aroclors standard mixture. The mean recoveries of most PCB congeners ranged from 80% to 99%. Using HRGC/MS in the selected ion monitoring mode (SIM), a detection limit below 10 pg/g (10 pptr, parts per trillion) of the CLBZ compounds was achieved. For GC/ECD, an Apiezon L-coated glass capillary column was used to determine PCB congeners at background levels. More than 69 PCB congeners were separated on this column. The detection limit for an individual congener was about 0.01 ng/g. Application of SIMCA (SImple Modeling by Chemical Analogy) pattern recognition and multiple discriminant analysis showed that the pattern of CLBZ compounds in soil samples collected near Love Canal was similar to the patterns from the other areas in the Niagara Falls area. The highest concentrations of CLBZ compounds were detected in the area which is near and downwind from an industrial center with many potential sources of airborne emissions.

  11. Absorption of ethanol, acetone, benzene and 1,2-dichloroethane through human skin in vitro: a test of diffusion model predictions

    SciTech Connect (OSTI)

    Gajjar, Rachna M.; Kasting, Gerald B.

    2014-11-15

    The overall goal of this research was to further develop and improve an existing skin diffusion model by experimentally confirming the predicted absorption rates of topically-applied volatile organic compounds (VOCs) based on their physicochemical properties, the skin surface temperature, and the wind velocity. In vitro human skin permeation of two hydrophilic solvents (acetone and ethanol) and two lipophilic solvents (benzene and 1,2-dichloroethane) was studied in Franz cells placed in a fume hood. Four doses of each {sup 14}C-radiolabed compound were tested — 5, 10, 20, and 40 μL cm{sup −2}, corresponding to specific doses ranging in mass from 5.0 to 63 mg cm{sup −2}. The maximum percentage of radiolabel absorbed into the receptor solutions for all test conditions was 0.3%. Although the absolute absorption of each solvent increased with dose, percentage absorption decreased. This decrease was consistent with the concept of a stratum corneum deposition region, which traps small amounts of solvent in the upper skin layers, decreasing the evaporation rate. The diffusion model satisfactorily described the cumulative absorption of ethanol; however, values for the other VOCs were underpredicted in a manner related to their ability to disrupt or solubilize skin lipids. In order to more closely describe the permeation data, significant increases in the stratum corneum/water partition coefficients, K{sub sc}, and modest changes to the diffusion coefficients, D{sub sc}, were required. The analysis provided strong evidence for both skin swelling and barrier disruption by VOCs, even by the minute amounts absorbed under these in vitro test conditions. - Highlights: • Human skin absorption of small doses of VOCs was measured in vitro in a fume hood. • The VOCs tested were ethanol, acetone, benzene and 1,2-dichloroethane. • Fraction of dose absorbed for all compounds at all doses tested was less than 0.3%. • The more aggressive VOCs absorbed at higher levels than

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

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

    Content Analysis and Inventories: Template and FY 2014 Inventory Web Content Analysis and ... It also includes a notes field, which can be used for a Web content analysis. Content ...

  13. Grating light reflection spectroelectrochemistry for detection of trace amounts of aromatic hydrocarbons in water

    SciTech Connect (OSTI)

    KELLY,MICHAEL J.; SWEATT,WILLIAM C.; KEMME,SHANALYN A.; KASUNIC,K.J.; BLAIR,DIANNA S.; ZAIDI,S.H.; MCNEIL,J.R.; BURGESS,L.W.; BRODSKY,A.M.; SMITH,S.A.

    2000-04-01

    Grating light reflection spectroscopy (GLRS) is an emerging technique for spectroscopic analysis and sensing. A transmission diffraction grating is placed in contact with the sample to be analyzed, and an incident light beam is directed onto the grating. At certain angles of incidence, some of the diffracted orders are transformed from traveling waves to evanescent waves. This occurs at a specific wavelength that is a function of the grating period and the complex index of refraction of the sample. The intensities of diffracted orders are also dependent on the sample's complex index of refraction. The authors describe the use of GLRS, in combination with electrochemical modulation of the grating, for the detection of trace amounts of aromatic hydrocarbons. The diffraction grating consisted of chromium lines on a fused silica substrate. The depth of the grating lines was 1 {micro}m, the grating period was 1 {micro}m, and the duty cycle was 50%. Since chromium was not suitable for electrochemical modulation of the analyte concentration, a 200 nm gold layer was deposited over the entire grating. This gold layer slightly degraded the transmission of the grating, but provided satisfactory optical transparency for the spectroelectrochemical experiments. The grating was configured as the working electrode in an electrochemical cell containing water plus trace amounts of the aromatic hydrocarbon analytes. The grating was then electrochemically modulated via cyclic voltammetry waveforms, and the normalized intensity of the zero order reflection was simultaneously measured. The authors discuss the lower limits of detection (LLD) for two analytes, 7-dimethylamino-1,2-benzophenoxazine (Meldola's Blue dye) and 2,4,6-trinitrotoluene (TNT), probed with an incident HeNe laser beam ({lambda} = 543.5 nm) at an incident angle of 52.5{degree}. The LLD for 7-dimethylamino-1,2-benzophenoxazine is approximately 50 parts per billion (ppb), while the LLD for TNT is approximately 50 parts

  14. Gas-phase reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms

    SciTech Connect (OSTI)

    Demarais, Nicholas J.; Yang, Zhibo; Bierbaum, Veronica M. [Department of Chemistry and Biochemistry, 215 UCB, University of Colorado, Boulder, CO 80309-0215 (United States); Snow, Theodore P., E-mail: Nicholas.Demarais@Colorado.edu, E-mail: Zhibo.Yang@ou.edu, E-mail: Veronica.Bierbaum@Colorado.edu, E-mail: Theodore.Snow@Colorado.edu [Center for Astrophysics and Space Astronomy, 389 UCB, University of Colorado, Boulder, CO 80309-0389 (United States)

    2014-03-20

    We have studied the reactions of polycyclic aromatic hydrocarbon cations and their nitrogen-containing analogs with H atoms. Reaction rate constants are measured at 300 K using a flowing afterglow-selected ion flow tube. We have implemented the laser induced acoustic desorption technique to allow the study of large, non-volatile species in the gas phase. The extension of this work from previous studies shows that the reactivity of polycyclic aromatic hydrocarbon cations with H atoms reaches a constant value for large cations. There is a small difference in reactivity when comparing molecules of different size and geometry; however, no difference in reactivity was found when nitrogen was incorporated into the ring.

  15. Catalytic Upgrading of Thermochemical Intermediates to Hydrocarbons: Conversion of Lignocellulosic Feedstocks to Aromatic Fuels and High Value Chemicals

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

    3 May, 2013 Technology Area Review: Thermochemical Conversion Randy Cortright PhD Virent, Inc WBS: 3.3.1.10 This presentation does not contain any proprietary, confidential, or otherwise restricted information Goal Statement Project Goal -Develop and demonstrate integration of Virent's lignocellulosic biomass solvolysis technology with Virent's BioForming® process to generate aromatic-rich hydrocarbon products for use in either fuels or chemicals applications.  Liquefaction of Biomass and

  16. Linkages and aromatic clusters in a bituminous coal: Final report, September 1, 1985--September 30, 1988

    SciTech Connect (OSTI)

    Chung, K.E.

    1988-10-01

    The distribution and arrangement of aromatic clusters, oxygen functional groups, and linkages in an Illinois No. 6 bituminous coal were determined by controlled solubilization of the coal, followed by solvent fractionation of the soluble product and detailed analyses of the product fractions. The solubilization was carried out in reactions with NaOH/ethanol/H/sub 2/O at temperatures of 260/degree/, 300/degree/ and 320/degree/C. Elemental balance and spectroscopic data revealed that the oxygen functional groups of the coal were attacked selectively in the solubilization process, resulting in an orderly definable diminution of the complex coal structure. Also aliphatic linkages present in selected solubilized product fractions were subjected to a transalkylation reaction. A molecular structural model specific to the Illinois coal was constructed, and the hydroliquefaction behavior of the coal was evaluated in terms of potential product distribution and hydrogen consumption. The structural characteristics are compared with those of a Wyoming subbituminous coal in our previous study. 9 refs., 16 figs., 11 tabs.

  17. Separation, characterization and instrumental analysis of polynuclear aromatic hydrocarbon ring classes in petroleum

    SciTech Connect (OSTI)

    Chmielowiec, J.; Beshai, J.E.; George, A.E.

    1980-08-01

    To develop effective utilization technology for heavy streams from conventional fuels and unconventional resources such as heavy oils and oilsand bitumens, detailed information on the chemical composition of the feedstocks is needed. Attempts were made during the seventies to modify the API Project 60 scheme of analysis or to develop chemically more efficient, and less time-consuming, separation and characterization methods. These attempts aimed to improve characterization by separating the samples into concentrates of different structural types. Samples throughput was increased by using pressure and higher performance chromatographic systems. Other valuable contributions, such as coal-liquid characterization in terms of different chemical functionalities have also been made. The separation of aromatic ring classes and characterization or identification of their major components was our primary objective in this study. A silica-R(NH/sub 2/)/sub 2/-based HPLC system was used in our laboratory to study the analytical potential of this approach; the work was described in a previous publication. In the present study, the applicability of HPLC separation by this system and instrumental spectrometric characterization of 3- and 4-ring PAHs isolated from two Canadian oils were investigated. The oils used, Medicine River and Lloydminster, are examples of hydrocarbon-dominated materials representing light and heavy processing feedstocks, respectively.

  18. The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene

    SciTech Connect (OSTI)

    Mackie, Cameron J. Candian, Alessandra; Tielens, Alexander G. G. M.; Huang, Xinchuan; Maltseva, Elena; Buma, Wybren Jan; Petrignani, Annemieke; Oomens, Jos; Lee, Timothy J.

    2015-12-14

    Current efforts to characterize and study interstellar polycyclic aromatic hydrocarbons (PAHs) rely heavily on theoretically predicted infrared (IR) spectra. Generally, such studies use the scaled harmonic frequencies for band positions and double harmonic approximation for intensities of species, and then compare these calculated spectra with experimental spectra obtained under matrix isolation conditions. High-resolution gas-phase experimental spectroscopic studies have recently revealed that the double harmonic approximation is not sufficient for reliable spectra prediction. In this paper, we present the anharmonic theoretical spectra of three PAHs: naphthalene, anthracene, and tetracene, computed with a locally modified version of the SPECTRO program using Cartesian derivatives transformed from Gaussian 09 normal coordinate force constants. Proper treatments of Fermi resonances lead to an impressive improvement on the agreement between the observed and theoretical spectra, especially in the C–H stretching region. All major IR absorption features in the full-scale matrix-isolated spectra, the high-temperature gas-phase spectra, and the most recent high-resolution gas-phase spectra obtained under supersonically cooled molecular beam conditions in the CH-stretching region are assigned.

  19. In situ toxicity evaluations of turbidity and photoinduction of polycyclic aromatic hydrocarbons

    SciTech Connect (OSTI)

    Ireland, D.S.; Burton, G.A. Jr; Hess, G.G.

    1996-04-01

    Polycyclic aromatic hydrocarbons (PAHs) are prevalent pollutants in the aquatic environment that can cause a wide range of toxic effects. Earlier studies have shown that toxicity of PAHs can be enhanced by ultraviolet (UV) radiation. In situ and laboratory exposures with Ceriodaphnia dubia were used to evaluate photoinduced toxicity of PAHs in wet-weather runoff and in turbid conditions. Exposure to UV increased the toxicity of PAH-contaminated sediment to C. dubia. Toxicity was removed when UV wavelengths did not penetrate the water column to the exposed organisms. A significant correlation was observed between in situ C. dubia survival and turbidity when organisms were exposed to sunlight. Stormwater runoff samples exhibited an increase in chronic toxicity (reproduction) to C. dubia when exposed to UV wavelengths as compared to C. dubia not exposed to UV wavelengths. Toxicity was reduced significantly in the presence of UV radiation when the organic fraction of stormwater runoff was removed. The PAHs are bound to the sediment and resuspended into the water column once the sediment is disturbed (e.g., during a storm). The in situ and laboratory results showed that photoinduced toxicity occurred frequently during low flow conditions and wet weather runoff and was reduced in turbid conditions.

  20. Use of SPMDs to determine average water concentration of polycyclic aromatic hydrocarbons in urban stormwater runoff

    SciTech Connect (OSTI)

    DeVita, W.; Crunkilton, R.

    1995-12-31

    Semipermeable polymeric membrane devices (SPMDS) were deployed for 30 day periods to monitor polycyclic aromatic hydrocarbons (PAHs) in an urban stream which receives much of its flow from urban runoff. SPMDs are capable of effectively sampling several liters of water per day for some PAHs. Unlike conventional methods, SPMDs sample only those non-polar organic contaminants which are truly dissolved and available for bioconcentration. Also, SPMDs may concentrate contaminants from episodic events such as stormwater discharge. The State of Wisconsin has established surface water quality criteria based upon human lifetime cancer risk of 23 ppt for benzo(a)pyrene and 23 ppt as the sum of nine other potentially carcinogenic PAHs. Bulk water samples analyzed by conventional methodology were routinely well above this criteria, but contained particulate bound PAHs as well as PAHs bound by dissolved organic carbon (DOC) which are not available for bioconcentration. Average water concentrations of dissolved PAHs determined using SPMDs were also above this criteria. Variables used for determining water concentration included sampling rate at the exposure temperature, length of exposure and estimation of biofouling of SPMD surface.

  1. Anaerobic cometabolic transformation of polycyclic and heterocyclic aromatic hydrocarbons: evidence from laboratory and field studies

    SciTech Connect (OSTI)

    Michael Safinowski; Christian Griebler; Rainer U. Meckenstock

    2006-07-01

    The sulfate-reducing enrichment culture N47 can grow on naphthalene or 2-methylnaphthalene as the sole carbon and energy source. The study reported shows that the culture can furthermore cometabolically transform a variety of polycyclic and heteroaromatic compounds with naphthalene or methylnaphthalene as the auxiliary substrate. Most of the cosubstrates were converted to the corresponding carboxylic acids, frequently to several isomers. The mass spectra of specific metabolites that were extracted from supernatants of cultures containing the cosubstrates benzothiophene, benzofuran, and 1-methylnaphthalene resembled known intermediates of the anaerobic naphthalene and 2-methylnaphthalene degradation pathways. This indicates that some of the tested compounds were first methylated and then transformed to the corresponding methylsuccinic acids by a fumarate addition to the methyl group. For some of the cosubstrates, a partial or total inhibition of growth on the auxiliary substrate was observed. This was caused by a specific combination of auxiliary substrate and cosubstrate. None of the cosubstrates tested could be utilized as the sole carbon source and electron donor by the enrichment culture N47. Field investigations at the tar-oil-contaminated aquifer (at a former gasworks in southwest Germany), where strain N47 originated, revealed the presence of metabolites similar to the ones identified in batch culture supernatants. The findings suggest that aromatic hydrocarbons and heterocyclic compounds can be converted by aquifer organisms and produce a variety of polar compounds that become mobile in groundwater. 51 refs., 4 figs., 2 tabs.

  2. Field application of a genetically engineered microorganism for polycyclic aromatic hydrocarbon bioremediation process monitoring and control

    SciTech Connect (OSTI)

    Sayler, G.S.; Cox, C.D.; Ripp, S.; Nivens, D.E.; Werner, C.; Ahn, Y.; Matrubutham, U.; Burlage, R.

    1998-11-01

    On October 30, 1996, the US Environmental Protection Agency (EPA) commenced the first test release of genetically engineered microorganisms (GEMs) for use in bioremediation. The specific objectives of the investigation were multifaceted and include (1) testing the hypothesis that a GEM can be successfully introduced and maintained in a bioremediation process, (2) testing the concept of using, at the field scale, reporter organisms for direct bioremediation process monitoring and control, and (3) acquiring data that can be used in risk assessment decision making and protocol development for future field release applications of GEMs. The genetically engineered strain under investigation is Pseudomonas fluorescens strain HK44 (King et al., 1990). The original P. fluorescens parent strain was isolated from polycyclic aromatic hydrocarbon (PAH) contaminated manufactured gas plant soil. Thus, this bacterium is able to biodegrade naphthalene (as well as other substituted naphthalenes and other PAHs) and is able to function as a living bioluminescent reporter for the presence of naphthalene contamination, its bioavailability, and the functional process of biodegradation. A unique component of this field investigation was the availability of an array of large subsurface soil lysimeters. This article describes the experience associated with the release of a genetically modified microorganism, the lysimeter facility and its associated instrumentation, as well as representative data collected during the first eighteen months of operation.

  3. PAMAM dendrimers and graphene: Materials for removing aromatic contaminants from water

    SciTech Connect (OSTI)

    DeFever, Ryan S.; Geitner, Nicholas K.; Bhattacharya, Priyanka; Ding, Feng; Ke, Pu Chun; Sarupria, Sapna

    2015-04-07

    We present results from experiments and atomistic molecular dynamics simulations on the association of naphthalene with polyamidoamine (PAMAM) dendrimers and graphene oxide (GrO). Specifically, we investigate 3rd-6th generation (G3-G6) PAMAM dendrimers and GrO with different levels of oxidation. The work is motivated by the potential applications of these materials in removing polycyclic aromatic hydrocarbon contaminants from water. Our experimental results indicate that graphene oxide outperforms dendrimers in removing naphthalene from water. Molecular dynamics simulations suggest that the prominent factors driving naphthalene association to these seemingly disparate materials are similar. Interestingly, we find that cooperative interactions between the naphthalene molecules play a significant role in enhancing their association to the dendrimers and graphene oxide. Our findings highlight that while selection of appropriate materials is important, the interactions between the contaminants themselves can also be important in governing the effectiveness of a given material. The combined use of experiments and molecular dynamics simulations allows us to comment on the possible factors resulting in better performance of graphene oxide in removing naphthalene from water.

  4. Polycyclic aromatic hydrocarbons at selected burning grounds at Los Alamos National Laboratory

    SciTech Connect (OSTI)

    Harris, B.W.; Minor, L.K.M.; Flucas, B.J.

    1998-02-01

    A commercial immunoassay field test (IFT) was used to rapidly assess the total concentrations of polycyclic aromatic hydrocarbons (PAHs) in the soil at selected burning grounds within the explosives corridor at Los Alamos National Laboratory (LANL). Results were compared with analyses obtained from LANL Analytical Laboratory and from a commercial laboratory. Both used the Environmental Protection Agency`s (EPA`s) Methods 8270 and 8310. EPA`s Method 8270 employs gas chromatography and mass spectral analyses, whereas EPA`s Method 8310 uses an ultraviolet detector in a high-performance liquid chromatography procedure. One crude oil sample and one diesel fuel sample, analyzed by EPA Method 8270, were included for references. On an average the IFT results were lower for standard samples and lower than the analytical laboratory results for the unknown samples. Sites were selected to determine whether the PAHs came from the material burned or the fuel used to ignite the burn, or whether they are produced by a high-temperature chemical reaction during the burn. Even though the crude oil and diesel fuel samples did contain measurable quantities of PAHs, there were no significant concentrations of PAHs detected in the ashes and soil at the burning grounds. Tests were made on fresh soil and ashes collected after a large burn and on aged soil and ashes known to have been at the site more than three years. Also analyzed were twelve-year-old samples from an inactive open burn cage.

  5. Mechanisms of photoinduced C{sub {alpha}}-C{sub {beta}} bond breakage in protonated aromatic amino acids

    SciTech Connect (OSTI)

    Lucas, B.; Barat, M.; Fayeton, J. A.; Perot, M.; Jouvet, C.; Gregoire, G.; Broendsted Nielsen, S.

    2008-04-28

    Photoexcitation of protonated aromatic amino acids leads to C{sub {alpha}}-C{sub {beta}} bond breakage among other channels. There are two pathways for the C{sub {alpha}}-C{sub {beta}} bond breakage, one is a slow process (microseconds) that occurs after hydrogen loss from the electronically excited ion, whereas the other is a fast process (nanoseconds). In this paper, a comparative study of the fragmentation of four molecules shows that the presence of the carboxylic acid group is necessary for this fast fragmentation channel to occur. We suggest a mechanism based on light-induced electron transfer from the aromatic ring to the carboxylic acid, followed by a fast internal proton transfer from the ammonium group to the negatively charged carboxylic acid group. The ion formed is a biradical since the aromatic ring is ionized and the carbon of the COOH group has an unpaired electron. Breakage of the weak C{sub {alpha}}-C{sub {beta}} bond gives two even-electron fragments and is expected to quickly occur. The present experimental results together with the ab initio calculations support the interpretation previously proposed.

  6. Removal of phenols and aromatic amines from wastewater by a combination treatment with tyrosinase and a coagulant

    SciTech Connect (OSTI)

    Wada, Shinji; Ichikawa, Hiroyasu; Tatsumi, Kenji )

    1995-02-20

    Removal of phenols and aromatic amines from industrial wastewater by tyrosinase was investigated. A color change from colorless to dark brown was observed, but no precipitate was formed. Colored products were found to be easily removed by a combination treatment with tyrosinase and a cationic polymer coagulant containing amino group, such as hexamethylenediamine-epichlorohidrin polycondensate, polyethleneimine, or chitosan. The first two coagulants, synthetic polymers, were more effective than chitosan, a polymer produced in crustacean shells. Phenols and aromatic amines are not precipitated by any kind of coagulants, but their enzymatic reaction products are easily precipitated by a cationic polymer coagulant. These results indicate that the combination of tyrosinase and a cationic polymer coagulant is effective in removing carcinogenic phenols and aromatic amines from an aqueous solution. Immobilization of tyrosinase on magnetite gave a good retention of activity (80%) and storage stability i.e., only 5% loss after 15 days of storage at ambient temperature. In the treatment of immobilized tyrosinase, colored enzymatic reaction products were removed by less coagulant compared with soluble tyrosinase.

  7. Widget:ContentAssist | Open Energy Information

    Open Energy Info (EERE)

    ContentAssist Jump to: navigation, search This widget generates a bar of recommended reading related to the page on which it is embedded. Additionally, this widget mines the...

  8. Training Program Content, 4/10/95

    Broader source: Energy.gov [DOE]

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

  9. Table of Contents for Desk Guide

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

    September, 2014 U. S. Department of Energy - Real Estate Desk Guide Revised 2014 Real Estate Desk Guide Table of Contents Chapter 1-- Purpose of Desk Guide............................................................................... 1 Chapter 2-- Introduction ................................................................................................. 3 Chapter 3-- Planning Policy ........................................................................................... 9 Chapter 4-- Real

  10. BETO Quiz - Interactive Content | Department of Energy

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

    BETO Quiz - Interactive Content BETO Quiz - Interactive Content Welcome to the Bioenergy Quiz! Navigate through the quiz by clicking on the circular buttons and selecting the correct answers to the questions. Use the scrollbar to move down the page and view all of the information displayed. Hover over words and phrases highlighted in orange for an explanation of terms. Share the information by clicking on the buttons in the Share This block. Use the arrow button found in the bottom right-hand

  11. Characterization of polycyclic aromatic hydrocarbons in motor vehicle fuels and exhaust emissions

    SciTech Connect (OSTI)

    Marr, L.C.; Kirchstetter, T.W.; Harley, R.A.; Hammond, S.K.; Miguel, A.H.; Hering, S.V.

    1999-09-15

    Motor vehicles are a significant source of polycyclic aromatic hydrocarbon (PAH) emissions. Improved understanding of the relationship between fuel composition and PAH emissions is needed to determine whether fuel reformulation is a viable approach for reducing PAH emissions. PAH concentrations were quantified in gasoline and diesel fuel samples collected in summer 1997 in northern California. Naphthalene was the predominant PAH in both fuels, with concentrations of up to 2,600 mg L{sup {minus}1} in gasoline and 1,600 mg L{sup {minus}1} in diesel fuel. Particle-phase PAH size distributions and exhaust emission factors were measured in two bores of a roadway tunnel. Emission factors were determined separately for light-duty vehicles and for heavy-duty diesel trucks, based on measurements of PAHs, CO, and CO{sub 2}. Particle-phase emission factors, expressed per unit mass of fuel burned, ranged up to 21 {micro}g kg{sup {minus}1} for benzo[ghi]perylene for light-duty vehicles and up to {approximately} 1,000 {micro}g kg{sup {minus}1} for pyrene for heavy-duty diesel vehicles. Light-duty vehicles were found to be a significant source of heavier (four- and five-ring) PAHs, whereas heavy-duty diesel engines were the dominant source of three-ring PAHs, such as fluoranthene and pyrene. While no correlation between heavy-duty diesel truck PAH emission factors and PAH concentrations in diesel fuel was found, light-duty vehicle PAH emission factors were found to be correlated with PAH concentrations in gasoline, suggesting that gasoline reformulation may be effective in reducing PAH emissions from motor vehicles.

  12. Trends in polycyclic aromatic hydrocarbon concentrations in the Great Lakes atmosphere

    SciTech Connect (OSTI)

    Ping Sun; Pierrette Blanchard; Kenneth A. Brice; Ronald A. Hites

    2006-10-15

    Atmospheric polycyclic aromatic hydrocarbon (PAHs) concentrations were measured in both the vapor and particle phases at seven sites near the Great Lakes as a part of the Integrated Atmospheric Deposition Network. Lower molecular weight PAHs, including fluorene, phenanthrene, fluoranthrene, and pyrene, were dominant in the vapor phase, and higher molecular weight PAHs, including chrysene, benzo(a)pyrene, and coronene, were dominant in the particle phase. The highest PAH concentrations in both the vapor and particle phases were observed in Chicago followed by the semiurban site at Sturgeon Point, NY. The major sources of PAHs in and around Chicago are vehicle emissions, coal and natural gas combustion, and coke production. The spatial difference of PAH concentrations can be explained by the local population density. Long-term decreasing trends of most PAH concentrations were observed in both the vapor and particle phases at Chicago, with half-lives ranging from 3-10 years in the vapor phase and 5-15 years in the particle phase. At Eagle Harbor, Sleeping Bear Dunes, and Sturgeon Point, total PAH concentrations in the vapor phase showed significant, but slow, long-term decreasing trends. At the Sturgeon Point site, which was impacted by a nearby city, particle-phase PAH concentrations also declined. However, most particle-phase PAH concentrations did not show significant long-term decreasing trends at the remote sites. Seasonal trends were also observed for particle-phase PAH concentrations, which were higher in the winter and lower in the summer. 36 refs., 4 figs., 1 tab.

  13. Polycyclic aromatic hydrocarbon and mid-infrared continuum emission in a z > 4 submillimeter galaxy

    SciTech Connect (OSTI)

    Riechers, Dominik A.; Pope, Alexandra; Daddi, Emanuele; Elbaz, David; Carilli, Christopher L.; Walter, Fabian; Hodge, Jacqueline; Morrison, Glenn E.; Dickinson, Mark; Dannerbauer, Helmut

    2014-05-01

    We report the detection of 6.2 μm polycyclic aromatic hydrocarbon (PAH) and rest-frame 4-7 μm continuum emission in the z = 4.055 submillimeter galaxy GN20, using the Infrared Spectrograph on board the Spitzer Space Telescope. This represents the first detection of PAH emission at z > 4. The strength of the PAH emission feature is consistent with a very high star formation rate of ∼1600 M {sub ☉} yr{sup –1}. We find that this intense starburst powers at least ∼1/3 of the faint underlying 6 μm continuum emission, with an additional, significant (and perhaps dominant) contribution due to a power-law-like hot dust source, which we interpret to likely be a faint, dust-obscured active galactic nucleus (AGN). The inferred 6 μm AGN continuum luminosity is consistent with a sensitive upper limit on the hard X-ray emission as measured by the Chandra X-Ray Observatory if the previously undetected AGN is Compton-thick. This is in agreement with the finding at optical/infrared wavelengths that the galaxy and its nucleus are heavily dust-obscured. Despite the strong power-law component enhancing the mid-infrared continuum emission, the intense starburst associated with the photon-dominated regions that give rise to the PAH emission appears to dominate the total energy output in the infrared. GN20 is one of the most luminous starburst galaxies known at any redshift, embedded in a rich protocluster of star-forming galaxies. This investigation provides an improved understanding of the energy sources that power such exceptional systems, which represent the extreme end of massive galaxy formation at early cosmic times.

  14. Polycyclic aromatic hydrocarbons in fresh and smoked fish samples from three Nigerian cities

    SciTech Connect (OSTI)

    Akpan, V.; Lodovici, M.; Dolara, P. )

    1994-08-01

    Nigeria is a major producer of crude oil in sub-Saharan Africa. In-shore and off-shore wells are located in richly watered creeks in the southern part of the country. Although published data on environmental impact assessment of the petroleum industry in Nigeria are lacking, there is a growing concern about the possible contamination of estuarine and coastal waters and of marine species by polycyclic aromatic hydrocarbon (PAHs). PAHs are ubiquitous priority pollutants that occur naturally in crude oil, automobile exhaust emissions and smoke condensates from incomplete combustion of carbonaceous materials. PAHs with high molecular weight are less readily biodegraded by indigenous microorganisms in some regions, and given their marked hydrophobic characteristics, may persist in the aqueous environment, thus contaminating the food chain by bioaccumulating in aquatic species like fish and mussels. Major Nigerian oil wells are located in the vicinity of breeding and harvesting sites serving the fresh-water fishing industry. Large hauls of fresh fish are normally consumed cooked in soups or smoke cured in handcrafted traditional ovens using freshly cut red mangrove (Rhizophora racemosa) wood as fuel. Though smoke curing is economical and may ensure longer conservation of fish, it undoubtedly increases the burden of PAHs in finished products as a result of partial charring and from smoke condensates or mangroves that also contain PAHs in measurable quantities as reported by Asita et al. (1991). Apart from PAHs analyzed by Emerole (1980) in smoked food samples from Ibadan using simple analytical methods, those from industrial and other anthropogenic sources have rarely been analyzed in Nigeria. We tried therefore to update the data and address this discrepancy. 14 refs., 4 figs., 2 tabs.

  15. Suppression of autophagy enhances the cytotoxicity of the DNA-damaging aromatic amine p-anilinoaniline

    SciTech Connect (OSTI)

    Elliott, Althea; Reiners, John J.

    2008-10-15

    p-Anilinoaniline (pAA) is an aromatic amine that is widely used in hair dying applications. It is also a metabolite of metanil yellow, an azo dye that is commonly used as a food coloring agent. Concentrations of pAA between 10 and 25 {mu}M were cytostatic to cultures of the normal human mammary epithelia cell line MCF10A. Concentrations {>=} 50 {mu}M were cytotoxic. Cytostatic concentrations induced transient G{sub 1} and S cell cycle phase arrests; whereas cytotoxic concentrations induced protracted arrests. Cytotoxic concentrations of pAA caused DNA damage, as monitored by the alkaline single-cell gel electrophoresis (Comet) assay, and morphological changes consistent with cells undergoing apoptosis and/or autophagy. Enzymatic and western blot analyses, and binding analyses of fluorescent labeled VAD-FMK, suggested that caspase family members were activated by pAA. Western blot analyses documented the conversion of LC3-I to LC3-II, a post-translational modification involved in the development of the autophagosome. Suppression of autophagosome formation, via knockdown of ATG7 with shRNA, prevented pAA-induced vacuolization, enhanced the activation of pro-caspase-3, and increased susceptibility of ATG7-deficient cells to the cytostatic and cytotoxic activities of markedly lower concentrations of pAA. Cells stably transfected with a nonsense shRNA behaved like parental MCF10A cells. Collectively, these data suggest that MCF10A cultures undergo autophagy as a pro-survival response to concentrations of pAA sufficient to induce DNA damage.

  16. RH-TRU Waste Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions

    2007-07-01

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

  17. Solubilities and other physical parameters of aromatic hydrocarbons in water and aqueous sodium chloride solutions as determined by headspace analysis

    SciTech Connect (OSTI)

    Lowry, M.A.H.

    1991-12-31

    The solubility, Henry`s law constant, aqueous-vapor partition coefficients, and oil-aqueous distribution coefficients of benzene, toluene, ethylbenzene, o-xylene,m-xylene and p-xylene were determined in water and aqueous sodium chloride solutions at 25C. Values are in agreement with using gas chromatography of headspace literature. The salting-out effect of sodium chloride on the solute properties measured was illustrated using the empirical relationship deduced by Setschenow (1889). The empirical relationship predicts that the logarithm of solubility will be a function of ionic strength. The solubility data obtained in this work obeys this relationship. It was also found that the logarithm of the Henry`s law constant, partition coefficient, and distribution coefficient are linear functions of ionic strength. 10 tabs, 6 figs.

  18. AVLIS documentation overview and tables of contents

    SciTech Connect (OSTI)

    Not Available

    1984-11-15

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

  19. CH-TRU Waste Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2008-01-16

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

  20. Remote-Handled Transuranic Content Codes

    SciTech Connect (OSTI)

    Washington TRU Solutions

    2006-12-01

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

  1. Local content of bipartite qubit correlations

    SciTech Connect (OSTI)

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

    2010-02-15

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

  2. OpenEI:Core content policies | Open Energy Information

    Open Energy Info (EERE)

    Core content policies Jump to: navigation, search OpenEI models its core content policies after those established by the Wikipedia.1 Specifically, the OpenEI core content...

  3. ,"New Mexico Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","New Mexico Heat Content of Natural Gas ... 10:27:06 AM" "Back to Contents","Data 1: New Mexico Heat Content of Natural Gas Consumed

  4. ,"North Carolina Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","North Carolina Heat Content of Natural Gas ... 10:27:02 AM" "Back to Contents","Data 1: North Carolina Heat Content of Natural Gas ...

  5. ,"North Dakota Heat Content of Natural Gas Consumed"

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

    Data for" ,"Data 1","North Dakota Heat Content of Natural Gas ... 10:27:03 AM" "Back to Contents","Data 1: North Dakota Heat Content of Natural Gas ...

  6. Table of Contents for Desk Guide

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

    May, 2013 U. S. Department of Energy - Real Estate Desk Guide Revised 2013 Real Estate Desk Guide Table of Contents Chapter 1-- Purpose of Desk Guide ........................................................................ 1 Chapter 2-- Introduction ......................................................................................... 3 Chapter 3-- Planning Policy .................................................................................... 7 Chapter 4-- Real Estate Function

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

    DOE Patents [OSTI]

    Bernardi, Richard T.; Entwistle, David

    2003-04-22

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

  8. PAHs content of sewage sludge in Europe and its use as soil fertilizer

    SciTech Connect (OSTI)

    Suciu, Nicoleta A. Lamastra, Lucrezia; Trevisan, Marco

    2015-07-15

    Highlights: • Sewage sludge contamination by PAHs may restrict its use as soil fertilizer. • Long term data concerning sewage sludge contamination by PAHs is lacking. • Literature review for EU countries and monitoring data for Italy is presented. • Focus PEARL model was used to simulate B(a)Pyr, the most toxic PAH, fate in soil. • The simulated B(a)Pyr soil concentration was much lower than its LOEC for soil organisms. - Abstract: The European Commission has been planning limits for organic pollutants in sewage sludge for 14 years; however no legislation has been implemented. This is mainly due to lack of data on sewage sludge contamination by organic pollutants, and possible negative effects to the environment. However, waste management has become an acute problem in many countries. Management options require extensive waste characterization, since many of them may contain compounds which could be harmful to the ecosystem, such as heavy metals, organic pollutants. The present study aims to show the true European position, regarding the polycyclic aromatic hydrocarbons (PAHs) content of sewage sludge, by comparing the Italian PAHs content with European Union countries, and at assessing the suitability of sewage sludge as soil fertilizer. The FOCUS Pearl model was used to estimate the concentration of benzo [a] pyrene (B(a)Pyr), the most toxic PAH in soil, and its exposure to organisms was then evaluated. The simulated B(a)Pyr and PAHs, expressed as B(a)Pyr, concentrations in soil were much lower than the B(a)Pyr’s most conservative lowest observable effect concentration (LOEC) for soil organisms. Furthermore, the results obtained indicate that it is more appropriate to apply 5 t ha{sup −1} sewage sludge annually than 15 t ha{sup −1} triennially. Results suggest, the EU maximum recommended limit of 6 mg kg{sup −1} PAHs in sewage sludge, should be conservative enough to avoid groundwater contamination and negative effects on soil organisms.

  9. Polycyclic aromatic hydrocarbons (PAHs): a possible cause of lung cancer mortality among nickel/copper smelter and refinery workers

    SciTech Connect (OSTI)

    Verma, D.K.; Julian, J.A.; Roberts, R.S.; Muir, D.C.; Jadon, N.; Shaw, D.S. )

    1992-05-01

    A retrospective industrial hygiene investigation was undertaken to explain the cause of a statistically significant excess lung cancer mortality observed in a subset of a large cohort of nickel workers involved in mining, smelting, and refining of nickel and copper in Ontario. The focus of this paper is to demonstrate how an industrial hygiene follow-up assessment of an epidemiologic finding can help to identify a likely cause. Polycyclic aromatic hydrocarbons (PAHs) alone or in association with particulate and gaseous contaminants (e.g., SO2) were likely the causative agents of the excess lung cancer observed among the lead welders, cranemen, and arc furnace workers of the copper refinery.

  10. Multi-photon UV photolysis of gaseous polycyclic aromatic hydrocarbons: Extinction spectra and dynamics

    SciTech Connect (OSTI)

    Walsh, A. J.; Gash, E. W.; Mansfield, M. W. D.; Ruth, A. A.

    2013-08-07

    The extinction spectra of static naphthalene and static biphenylene vapor, each buffered with a noble gas at room temperature, were measured as a function of time in the region between 390 and 850 nm after UV multi-photon laser photolysis at 308 nm. Employing incoherent broadband cavity enhanced absorption spectroscopy (IBBCEAS), the spectra were found to be unstructured with a general lack of isolated features suggesting that the extinction was not solely based on absorption but was in fact dominated by scattering from particles formed in the photolysis of the respective polycyclic aromatic hydrocarbon. Following UV multi-photon photolysis, the extinction dynamics of the static (unstirred) closed gas-phase system exhibits extraordinary quasi-periodic and complex oscillations with periods ranging from seconds to many minutes, persisting for up to several hours. Depending on buffer gas type and pressure, several types of dynamical responses could be generated (classified as types I, II, and III). They were studied as a function of temperature and chamber volume for different experimental conditions and possible explanations for the oscillations are discussed. A conclusive model for the observed phenomena has not been established. However, a number of key hypotheses have made based on the measurements in this publication: (a) Following the multi-photon UV photolysis of naphthalene (or biphenylene), particles are formed on a timescale not observable using IBBCEAS. (b) The observed temporal behavior cannot be described on basis of a chemical reaction scheme alone. (c) The pressure dependence of the system's responses is due to transport phenomena of particles in the chamber. (d) The size distribution and the refractive indices of particles are time dependent and evolve on a timescale of minutes to hours. The rate of particle coagulation, involving coalescent growth and particle agglomeration, affects the observed oscillations. (e) The walls of the chamber act as a sink

  11. Structurally distinct polycyclic aromatic hydrocarbons induce differential transcriptional responses in developing zebrafish

    SciTech Connect (OSTI)

    Goodale, Britton C.; Tilton, Susan C.; Corvi, Margaret M.; Wilson, Glenn R.; Janszen, Derek B.; Anderson, Kim A.; Waters, Katrina M.; Tanguay, Robert L.

    2013-11-01

    Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous in the environment as components of fossil fuels and by-products of combustion. These multi-ring chemicals differentially activate the aryl hydrocarbon receptor (AHR) in a structurally dependent manner, and induce toxicity via both AHR-dependent and -independent mechanisms. PAH exposure is known to induce developmental malformations in zebrafish embryos, and recent studies have shown cardiac toxicity induced by compounds with low AHR affinity. Unraveling the potentially diverse molecular mechanisms of PAH toxicity is essential for understanding the hazard posed by complex PAH mixtures present in the environment. We analyzed transcriptional responses to PAH exposure in zebrafish embryos exposed to benz(a)anthracene (BAA), dibenzothiophene (DBT) and pyrene (PYR) at concentrations that induced developmental malformations by 120 h post-fertilization (hpf). Whole genome microarray analysis of mRNA expression at 24 and 48 hpf identified genes that were differentially regulated over time and in response to the three PAH structures. PAH body burdens were analyzed at both time points using GCMS, and demonstrated differences in PAH uptake into the embryos. This was important for discerning dose-related differences from those that represented unique molecular mechanisms. While BAA misregulated the least number of transcripts, it caused strong induction of cyp1a and other genes known to be downstream of the AHR, which were not induced by the other two PAHs. Analysis of functional roles of misregulated genes and their predicted regulatory transcription factors also distinguished the BAA response from regulatory networks disrupted by DBT and PYR exposure. These results indicate that systems approaches can be used to classify the toxicity of PAHs based on the networks perturbed following exposure, and may provide a path for unraveling the toxicity of complex PAH mixtures. - Highlights: Defined global mRNA expression

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

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

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

  13. Does Water Content or Flow Rate Control Colloid Transport in...

    Office of Scientific and Technical Information (OSTI)

    Does Water Content or Flow Rate Control Colloid Transport in Unsaturated Porous Media? Citation Details In-Document Search Title: Does Water Content or Flow Rate Control Colloid ...

  14. Widget:DivContentWrapper | Open Energy Information

    Open Energy Info (EERE)

    div For example: Widget:DivContentWrapper | classui-corner-all | stylebackground-color: green; padding: 5px; color: white; | contentText Text Retrieved from "http:...

  15. Energy.gov Data Tables in Content Management System | Department...

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

    Data Tables in Content Management System Energy.gov Data Tables in Content Management System For Office of Energy Efficiency and Renewable Energy (EERE) websites, follow these...

  16. Headquarters Facilities Master Security Plan- Table of Contents

    Office of Energy Efficiency and Renewable Energy (EERE)

    2016 Headquarters Facilities Master Security Plan - Table of Contents Table of Contents for the 2016 Headquarters Facilities Master Security Plan (HQFMSP).

  17. T-663: Cisco Content Services Gateway ICMP Processing Flaw Lets...

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

    3: Cisco Content Services Gateway ICMP Processing Flaw Lets Remote Users Deny Service T-663: Cisco Content Services Gateway ICMP Processing Flaw Lets Remote Users Deny Service July...

  18. The effect of the nature of a modifying additive (Pt, Zn, Ga) on the activity of oxide and zeolite catalysts in ethane dehydrogenation and aromatization

    SciTech Connect (OSTI)

    Vasina, T.V.; Masloboyshchikova, O.V.; Chetina, O.V.

    1994-10-01

    The catalytic properties of Pt, Zn, and Ga deposited on supports of various natures (Al{sub 2}O{sub 3}, SiO{sub 2}, NaZSM, and HZSM) in the dehydrogenation and aromatization of ethane were investigated. Pt-containing catalysts are the most active in the conversion of ethane: the selectivity with respect to ethylene is 25-87% depending on the nature of the support. In the presence of Zn- and Ga-containing catalysts the yield of ethylene is 2-3 times lower than with Pt-catalysts. With HZSM modified by Pt, Zn, or Ga aromatic hydrocarbons (ArH) and methane are the main products of ethane transformation. Ga/HZSM is the most efficient catalyst of the aromatization of ethane under the conditions studied (550 {degrees}C, 120 h{sup -1}).

  19. Direct production of hydrogen and aromatics from methane or natural gas: Review of recent U.S. patents

    SciTech Connect (OSTI)

    Lucia M. Petkovic; Daniel M. Ginosar

    2012-03-01

    Since the year 2000, the United States Patent and Trademark Office (USPTO) has granted a dozen patents for inventions related to methane dehydroaromatization processes. One of them was granted to UOP LLC (Des Plaines). It relates to a catalyst composition and preparation method. Two patents were granted to Conoco Phillips Company (Houston, TX). One was aimed at securing a process and operating conditions for methane aromatization. The other was aimed at securing a process that may be integrated with separation of wellhead fluids and blending of the aromatics produced from the gas with the crude. Nine patents were granted to ExxonMobil Chemical Patents Inc. (Houston, TX). Most of these were aimed at securing a dehydroaromatization process where methane-containing feedstock moves counter currently to a particulate catalyst. The coked catalyst is heated or regenerated either in the reactor, by cyclic operation, or in annex equipment, and returned to the reactor. The reactor effluent stream may be separated in its main components and used or recycled as needed. A brief summary of those inventions is presented in this review.

  20. CONTENTS Gas Hydrate-Bearing Sand

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

    CONTENTS Gas Hydrate-Bearing Sand Reservoir Systems in the Offshore of India: Results of the India National Gas Hydrate Program Expedition 02 ..............1 The Potential for Abiotic Methane in Arctic Gas Hydrates .................9 Coupled Thermo-Hydro-Chemo- Mechanical (THCM) Models for Hydrate-Bearing Sediments ....13 Emerging Issues in the Development of Geologic Models for Gas Hydrate Numerical Simulation ................19 Announcements ...................... 23 * DOE/NETL FY2016 Methane

  1. Remote possibly hazardous content container sampling device

    DOE Patents [OSTI]

    Volz, David L.

    1998-01-01

    The present invention relates to an apparatus capable of sampling enclosed containers, where the contents of the container is unknown. The invention includes a compressed air device capable of supplying air pressure, device for controlling the amount of air pressure applied, a pneumatic valve, a sampling device having a hollow, sampling insertion needle suspended therein and device to communicate fluid flow between the container and a containment vessel, pump or direct reading instrument.

  2. Application Content and Evaluation Criteria/Process

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

    Evaluation Criteria/Process Reginald Tyler Golden Field Office Office of Hydrogen, Fuel Cells and Infrastructure Technologies Application Content o Separate Applications for Each Major Topic o Title Should Identify the Topic Area o Application - SF 424 o Budget File - SF 424A o Project Summary - 1 page, non-proprietary Project Narrative o Provide clear description of the technical concept and how you plan to accomplish the work. o Include a description of the relevance of and justification for

  3. Analysis of Joint Masonry Moisture Content Monitoring

    SciTech Connect (OSTI)

    Ueno, Kohta

    2015-10-01

    Adding insulation to the interior side of walls of masonry buildings in cold (and wet) climates may cause performance and durability problems. Some concerns, such as condensation and freeze-thaw, have known solutions, but wood members embedded in the masonry structure will be colder (and potentially wetter) after an interior insulation retrofit. Moisture content & relative humidity were monitored at joist ends in historic mass brick masonry walls retrofitted with interior insulation in a cold climate (Zone 5A); data were collected from 2012-2015. Eleven joist ends were monitored in all four orientations. One limitation of these results is that the renovation is still ongoing, with limited wintertime construction heating and no permanent occupancy to date. Measurements show that many joists ends remain at high moisture contents, especially at north- and east-facing orientations, with constant 100% RH conditions at the worst cases. These high moisture levels are not conducive for wood durability, but no evidence for actual structural damage has been observed. Insulated versus non-insulated joist pockets do not show large differences. South facing joists have safe (10-15%) moisture contents. Given the uncertainty pointed out by research, definitive guidance on the vulnerability of embedded wood members is difficult to formulate. In high-risk situations, or when a very conservative approach is warranted, the embedded wood member condition can be eliminated entirely, supporting the joist ends outside of the masonry pocket.

  4. On-line instrumentation for the real-time monitoring of polynuclear aromatic hydrocarbons in the effluents from a fluidized bed combustor - a feasibility study

    SciTech Connect (OSTI)

    D'Silva, A.P.; Iles, M.; Rice, G.; Fassel, V.A.

    1984-04-01

    When polynuclear aromatic hydrocargons in the vapor phase are diluted preferably in a rare gas and undergo supersonic jet expansion, rotationally cooled molecules with absorption bandwidths of the order of 0.01 nm (FWHM) are obtained. Selective excitation with a tunable dye laser into such narrow absorption bands leads to the observation of highly specific luminescence spectra. Such an approach has been utilized for the on-line, real-time monitoring of polynuclear aromatic hydrocarbons in the effluents from a fluidized bed combustor.

  5. Analysis of Joist Masonry Moisture Content Monitoring

    SciTech Connect (OSTI)

    Ueno, Kohta

    2015-10-08

    There are many existing buildings with load-bearing mass masonry walls, whose energy performance could be improved with the retrofit of insulation. However, adding insulation to the interior side of walls of such masonry buildings in cold (and wet) climates may cause performance and durability problems. Some concerns, such as condensation and freeze-thaw have known solutions. But wood members embedded in the masonry structure will be colder (and potentially wetter) after an interior insulation retrofit. Moisture content & relative humidity were monitored at joist ends in historic mass brick masonry walls retrofitted with interior insulation in a cold climate (Zone 5A); data were collected from 2012-2015. Eleven joist ends were monitored in all four orientations. One limitation of these results is that the renovation is still ongoing, with limited wintertime construction heating and no permanent occupancy to date. Measurements show that many joists ends remain at high moisture contents, especially at north- and east-facing orientations, with constant 100% RH conditions at the worst cases. These high moisture levels are not conducive for wood durability, but no evidence for actual structural damage has been observed. Insulated vs. non-insulated joist pockets do not show large differences. South facing joists have safe (10-15%) moisture contents. Given the uncertainty pointed out by research, definitive guidance on the vulnerability of embedded wood members is difficult to formulate. In high-risk situations, or when a very conservative approach is warranted, the embedded wood member condition can be eliminated entirely, supporting the joist ends outside of the masonry pocket.

  6. Significance of Cytochrome P450 System Responses and Levels of Bile Fluorescent Aromatic Compounds in Marine Wildlife Following Oil Spills

    SciTech Connect (OSTI)

    Lee, Richard F.; Anderson, Jack W.

    2005-07-01

    The relationships among cytochrome P450 induction in marine wildlife species, levels of fluorescent aromatic compounds (FAC) in their bile, the chemical composition of the inducing compounds, the significance of the exposure pathway, and any resulting injury, as a consequence of exposure to crude oil following a spill, are reviewed. Fish collected after oil spills often show increases in cytochrome P450 system activity, cytochrome P4501A (CYP1A) and bile fluorescent aromatic compounds (FAC), that are correlated with exposure to polycyclic aromatic hydrocarbons (PAH) in the oil. There is also some evidence for increases in bile FAC and induction of cytochrome P450 in marine birds and mammals after oil spills. However, when observed, increases in these exposure indicators are transitory and generally decrease to background levels within one year after the exposure. Laboratory studies have shown induction of cytochrome P450 systems occurs after exposure of fish to crude oil in water, sediment or food. Most of the PAH found in crude oil (dominantly 2- and 3-ring PAH) are not strong inducers of cytochrome P450. Exposure to the 4-ring chrysenes or the photooxidized products of the PAH may account for the cytochrome P450 responses in fish collected from oil-spill sites. The contribution of non-spill background PAH, particularly combustion-derived (pyrogenic) PAH, to bile FAC and cytochrome P450 system responses can be confounding and needs to be considered when evaluating oil spill effects. The ubiquity of pyrogenic PAH makes it important to fully characterize all sources of PAH, including PAH from natural resources, e.g. retene, in oil spill studies. In addition, such parameters as species, sex, age, ambient temperature and season need to be taken into account. While increases in fish bile FAC and cytochrome P450 system responses, can together, be sensitive general indicators of PAH exposure after an oil spill, there is little unequivocal evidence to suggest a linkage to

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

    SciTech Connect (OSTI)

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

    2011-11-23

    Determining the true, kinetically dominant catalytically active species, in the classic benzene hydrogenation system pioneered by Maitlis and co-workers 34 years ago starting with [RhCp*Cl2]2 (Cp* = [{eta}5-C5(CH3)5]), has proven to be one of the most challenging case studies in the quest to distinguish single-metal-based 'homogeneous' from polymetallic, 'heterogeneous' catalysis. The reason, this study will show, is the previous failure to use the proper combination of (i) operando spectroscopy to determine the dominant form(s) of the precatalyst's mass under catalysis (i.e., operating) conditions, plus then and crucially also (ii) the previous lack of the necessary kinetic studies, catalysis being a 'wholly kinetic phenomenon' as J. Halpern long ago noted. An important contribution from this study will be to reveal the power of quantitiative kinetic poisoning experiments for distinguishing single-metal, or in this case subnanometer Rh4 cluster-based catalysis from larger, polymetallic Rh(0)n nanoparticle catalysis, at least under favorable conditions. The combined operando-XAFS (X-ray absorption fine structure) spectroscopy and kinetic evidences provide a compelling case for Rh4-based, with average stoichiometry 'Rh4Cp*2.4Cl4Hc', benzene hydrogenation catalysis in 2-propanol with added Et3N and at 100 C and 50 atm initial H2 pressure. The results also reveal, however, that if even ca. 1.4% of the total soluble Rh(0)n had formed nanoparticles, then those Rh(0)n nanoparticles would have been able to account for all the observed benzene hydrogenation catalytic rate (using commercial, ca. 2 nm, polyethyleneglycol-dodecylether hydrosol stabilized Rh(0)n nanoparticles as a model system). The results 'especially the poisoning methodology developed and employed' are of significant, broader interest since determining the nature of the true catalyst continues to be a central, often vexing issue in any and all catalytic reactions. The results are also of fundamental

  8. ,"U.S. Heat Content of Natural Gas Consumed"

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

    Gas Deliveries to Consumers (BTU per Cubic Foot)","U.S. Total Consumption of Heat Content of Natural Gas (BTU per Cubic Foot)","U.S. Heat Content of Natural Gas Deliveries to ...

  9. SWS Online Tool now includes Multifamily Content, plus a How...

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

    SWS Online Tool now includes Multifamily Content, plus a How-To Webinar SWS Online Tool now includes Multifamily Content, plus a How-To Webinar This announcement contains ...

  10. Reducing the moisture content of clean coals

    SciTech Connect (OSTI)

    Kehoe, D. )

    1992-12-01

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

  11. Improved Technique of Hydrogen Content Analysis by Slow Neutron Scattering

    DOE R&D Accomplishments [OSTI]

    Rainwater, L. J.; Havens, W. W. Jr.

    1945-02-28

    A slow-neutron-transmission method fro determining the H content of fluorcarbons is described (G.Y.)

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

    Office of Energy Efficiency and Renewable Energy (EERE)

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

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

    DOE Patents [OSTI]

    Maya, L.

    1981-11-05

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

  14. Estimating the in situ sediment-porewater distribution of PAHs and chlorinated aromatic hydrocarbons in anthropogenic impacted sediments

    SciTech Connect (OSTI)

    Hans Peter H. Arp; Gijs D. Breedveld; Gerard Cornelissen

    2009-08-15

    It has become increasingly apparent that the in situ sediment-porewater distribution behavior of organic compounds within anthropogenic impacted sediments is quite diverse, and challenging to generalize. Traditional models based on octanol-water partitioning generally overestimate native porewater concentrations, and modern approaches accounting for multiple carbon fractions, including black carbon, appear sediment specific. To assess the diversity of this sorption behavior, we collected all peer-reviewed total organic carbon (TOC)-normalized in situ sediment-porewater distribution coefficients, K{sub TOC}, for impacted sediments. This entailed several hundreds of data for PAHs, PCBs, PCDD/Fs, and chlorinated benzenes, covering a large variety of sediments, locations, and experimental methods. Compound-specific KTOC could range up to over 3 orders of magnitude. Output from various predictive models for individual carbonaceous phases found in impacted sediments, based on peer-reviewed polyparameter linear free energy relationships (PP-LFERs), Raoult's Law, and the SPARC online-calculator, were tested to see if any of the models could consistently predict literature K{sub TOC} values within a factor of 30 (i.e. about 1.5 orders of magnitude, or half the range of K{sub TOC} values). The Raoult's Law model and coal tar PP-LFER achieved the sought-after accuracy for all tested compound classes, and are recommended for general, regional-scale modeling purposes. As impacted sediment-porewater distribution models are unlikely to get more accurate than this, this review underpins that the only way to accurately obtain accurate porewater concentrations is to measure them directly, and not infer them from sediment concentrations. 86 refs., 2 figs., 3 tabs.

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

    Office of Environmental Management (EM)

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

  16. Extrapolation of systemic bioavailability assessing skin absorption and epidermal and hepatic metabolism of aromatic amine hair dyes in vitro

    SciTech Connect (OSTI)

    Manwaring, John; Rothe, Helga; Obringer, Cindy; Foltz, David J.; Baker, Timothy R.; Troutman, John A.; Hewitt, Nicola J.; Goebel, Carsten

    2015-09-01

    Approaches to assess the role of absorption, metabolism and excretion of cosmetic ingredients that are based on the integration of different in vitro data are important for their safety assessment, specifically as it offers an opportunity to refine that safety assessment. In order to estimate systemic exposure (AUC) to aromatic amine hair dyes following typical product application conditions, skin penetration and epidermal and systemic metabolic conversion of the parent compound was assessed in human skin explants and human keratinocyte (HaCaT) and hepatocyte cultures. To estimate the amount of the aromatic amine that can reach the general circulation unchanged after passage through the skin the following toxicokinetically relevant parameters were applied: a) Michaelis–Menten kinetics to quantify the epidermal metabolism; b) the estimated keratinocyte cell abundance in the viable epidermis; c) the skin penetration rate; d) the calculated Mean Residence Time in the viable epidermis; e) the viable epidermis thickness and f) the skin permeability coefficient. In a next step, in vitro hepatocyte K{sub m} and V{sub max} values and whole liver mass and cell abundance were used to calculate the scaled intrinsic clearance, which was combined with liver blood flow and fraction of compound unbound in the blood to give hepatic clearance. The systemic exposure in the general circulation (AUC) was extrapolated using internal dose and hepatic clearance, and C{sub max} was extrapolated (conservative overestimation) using internal dose and volume of distribution, indicating that appropriate toxicokinetic information can be generated based solely on in vitro data. For the hair dye, p-phenylenediamine, these data were found to be in the same order of magnitude as those published for human volunteers. - Highlights: • An entirely in silico/in vitro approach to predict in vivo exposure to dermally applied hair dyes • Skin penetration and epidermal conversion assessed in human

  17. Occurrence of polycyclic aromatic hydrocarbons below coal-tar-sealed parking lots and effects on stream benthic macroinvertebrate communities

    SciTech Connect (OSTI)

    Scoggins, M.; McClintock, N.L.; Gosselink, L.; Bryer, P.

    2007-12-15

    Parking-lot pavement sealants recently have been recognized as a major source of polycyclic aromatic hydrocarbons (PAHs) in urban stream sediments in Austin, Texas. Laboratory and field studies have shown that PAHs in sediments can be toxic to aquatic organisms and can degrade aquatic communities. After identifying increases in concentrations of PAHs in sediments below seal-coated parking lots, we investigated whether the increases had significant effects on stream biota in 5 Austin streams. We sampled sediment chemistry and biological communities above and below the point at which stormwater runoff from the parking lots discharged into the streams, thus providing 5 upstream reference sites and 5 downstream treatment sites. Differences between upstream and downstream concentrations of total PAH ranged from 3.9 to 32 mg/kg. Analysis of the species occurrence data from pool and riffle habitats indicated a significant decrease in community health at the downstream sites, including decreases in richness, intolerant taxa, Diptera taxa, and density. In pool sediments, Chironomidae density was negatively correlated with PAH concentrations, whereas Oligochaeta density responded positively to PAH concentrations. In general, pool taxa responded more strongly than riffle taxa to PAHs, but riffle taxa responded more broadly than pool taxa. Increases in PAH sediment-toxicity units between upstream and downstream sites explained decreases in taxon richness and density in pools between upstream and downstream sites.

  18. THE CONNECTION BETWEEN 3.3 {mu}m POLYCYCLIC AROMATIC HYDROCARBON EMISSION AND ACTIVE GALACTIC NUCLEUS ACTIVITY

    SciTech Connect (OSTI)

    Woo, Jong-Hak; Park, Dawoo; Kim, Ji Hoon; Imanishi, Masatoshi

    2012-02-15

    We investigate the connection between starburst and active galactic nucleus (AGN) activity by comparing 3.3 {mu}m polycyclic aromatic hydrocarbon (PAH) emission with AGN properties. Utilizing the slitless spectroscopic capability of the AKARI space telescope, we observe a moderate-luminosity Type I AGN at z {approx} 0.4 to measure global starburst activity. The 3.3 {mu}m PAH emissions are detected for 7 out of 26 target galaxies. We find no strong correlation between the 3.3 {mu}m PAH emission and AGN luminosity in the limited range of the observed AGN luminosity, suggesting that global star formation may not be closely related to AGN activity. Combining our measurements with previous 3.3 {mu}m measurements of low-redshift Type I AGNs in the literature, we investigate the connection between nuclear starburst and AGN activity. In contrast to global star formation, the 3.3 {mu}m PAH luminosity measured from the central part of galaxies correlates with AGN luminosity, implying that starburst activity and AGN activity are directly connected in the nuclear region.

  19. Dispersion modeling of polycyclic aromatic hydrocarbons from combustion of biomass and fossil fuels and production of coke in Tianjin, China

    SciTech Connect (OSTI)

    Shu Tao; Xinrong Li; Yu Yang; Raymond M. Coveney, Jr.; Xiaoxia Lu; Haitao Chen; Weiran Shen

    2006-08-01

    A USEPA procedure, ISCLT3 (Industrial Source Complex Long-Term), was applied to model the spatial distribution of polycyclic aromatic hydrocarbons (PAHs) emitted from various sources including coal, petroleum, natural gas, and biomass into the atmosphere of Tianjin, China. Benzo(a)pyrene equivalent concentrations (BaPeq) were calculated for risk assessment. Model results were provisionally validated for concentrations and profiles based on the observed data at two monitoring stations. The dominant emission sources in the area were domestic coal combustion, coke production, and biomass burning. Mainly because of the difference in the emission heights, the contributions of various sources to the average concentrations at receptors differ from proportions emitted. The shares of domestic coal increased from {approximately} 43% at the sources to 56% at the receptors, while the contributions of coking industry decreased from {approximately} 23% at the sources to 7% at the receptors. The spatial distributions of gaseous and particulate PAHs were similar, with higher concentrations occurring within urban districts because of domestic coal combustion. With relatively smaller contributions, the other minor sources had limited influences on the overall spatial distribution. The calculated average BaPeq value in air was 2.54 {+-} 2.87 ng/m{sup 3} on an annual basis. Although only 2.3% of the area in Tianjin exceeded the national standard of 10 ng/m{sup 3}, 41% of the entire population lives within this area. 37 refs., 9 figs.

  20. Probabilistic ecological risk assessment and source apportionment of polycyclic aromatic hydrocarbons in surface sediments from Yellow Sea

    SciTech Connect (OSTI)

    Liu, A.X.; Lang, Y.H.; Xue, L.D.; Liao, S.L.; Zhou, H.

    2009-11-15

    Based on the concentrations of polycyclic aromatic hydrocarbons (PAHs) in 12 surface sediment samples from Yellow Sea, the relative risk of 9 PAHs was investigated using joint risk probability distribution curves and overlapping area, which were generated based on the distributions of exposure and acute toxicity data (LC50), and the sources of PAHs were apportioned using principal component analysis. It was found that joint probability curve and overlapping area indicated the acceptable ecological risk of individual PAHs, only a small fraction of the benthic organisms was affected. Among the nine PAHs studied, the overall risk of pyrene was the highest, with that of naphthalene the lowest. For lower exposure levels at which the percentage of species affected was less than 10%, the risk associated with phenanthrene and fluorene were clearly higher than that of the other seven PAHs. It was indicated that PAHs in surface sediments mainly originated from vehicular emissions, coal combustion sources, coke oven emission and wood combustion, petroleum origin made little influence on sources of PAHs by PCA.

  1. Source Contribution Analysis of Surface Particulate Polycyclic Aromatic Hydrocarbon Concentrations in Northeastern Asia by Source-receptor Relationships

    SciTech Connect (OSTI)

    Inomata, Yayoi; Kajino, Mizuo; Sato, Keiichi; Ohara, Toshimasa; Kurokawa, Jun-Ichi; Ueda, Hiromasa; Tang, Ning; Hayakawa, Kazuichi; Ohizumi, Tsuyoshi; Akimoto, Hajime

    2013-11-01

    We analyzed the sourceereceptor relationships for particulate polycyclic aromatic hydrocarbon (PAH) concentrations in northeastern Asia using an aerosol chemical transport model. The model successfully simulated the observed concentrations. In Beijing (China) benzo[a]pyren (BaP) concentrations are due to emissions from its own domain. In Noto, Oki and Tsushima (Japan), transboundary transport from northern China (>40N, 40-60%) and central China (30-40N, 10-40%) largely influences BaP concentrations from winter to spring, whereas the relative contribution from central China is dominant (90%) in Hedo. In the summer, the contribution from Japanese domestic sources increases (40-80%) at the 4 sites. Contributions from Japan and Russia are additional source of BaP over the northwestern Pacific Ocean in summer. The contribution rates for the concentrations from each domain are different among PAH species depending on their particulate phase oxidation rates. Reaction with O3 on particulate surfaces may be an important component of the PAH oxidation processes.

  2. Polycyclic aromatic hydrocarbon-induced CYP1B1 activity is suppressed by perillyl alcohol in MCF-7 cells

    SciTech Connect (OSTI)

    Chan, Nelson L.S.; Wang Huan; Wang Yun; Leung, H.Y.; Leung, Lai K. . E-mail: laikleung@yahoo.com

    2006-06-01

    Perillyl alcohol (POH) is a dietary monoterpene with potential applications in chemoprevention and chemotherapy. Although clinical trials are under way, POH's physiological and pharmacological properties are still unclear. In the present study, the effect of POH on polycyclic aromatic hydrocarbon (PAH)-induced genotoxicity, and the related expression were examined in MCF-7 cells. Exposure to environmental toxicant increases the risk of cancer. Many of these compounds are pro-carcinogens and are biotransformed into their ultimate genotoxic structures by xenobiotic metabolizing enzymes. CYP1A1 and 1B1 are enzymes that catalyze the biotransformation of dimethylbenz[a]anthracene (DMBA). Our data revealed that 0.5 {mu}M of POH was effective in blocking DMBA-DNA binding. Ethoxyresorufin-O-deethylase (EROD) assay indicated that the administration of POH inhibited the DMBA-induced enzyme activity in MCF-7 cells. Enzyme kinetic analysis revealed that POH inhibited CYP1B1 but not CYP1A1 activity. Quantitative reverse transcriptase-polymerase chain reaction (RT-PCR) assay also demonstrated that the monoterpene reduced CYP1B1 mRNA abundance induced by DMBA. The present study illustrated that POH might inhibit and downregulate CYP1B1, which could protect against PAH-induced carcinogenesis.

  3. Polycyclic aromatic hydrocarbons in olive fruits as a measure of air pollution in the valley of Florence (Italy)

    SciTech Connect (OSTI)

    Ignesti, G.; Lodovici, M.; Dolara, P.; Lucia, P.; Grechi, D.

    1992-06-01

    Plants have often been used for monitoring air pollution, such as Tradescantia for detecting mutagenic chemicals, or mosses which are bio-accumulators of heavy metals. Mosses have also been used as indicators of pollution from hexachlorobenzene and polycyclic aromatic hydrocarbons. PAH are present in most crops, and are deposited on the foliar surface of plants exposed to polluted air. Plants grown in heavily polluted environments have a higher concentration of PAH than those growing in clean environments, and plants grown in cabinets with filtered air have a very low concentration of PAH. Alimentary oils have high concentrations of PAH due to crop exposure to air pollutants and a high solubility of PAH in oils. PAH are important initiators of some human cancers and their monitoring is believed to be important for public health. Most Italian towns are heavily polluted by car exhaust and industrial sources, and a high concentration of PAH has been reported in the air particulate of urban areas. On the basis of these premises we thought it of interest to determine the concentration of some PAH in the olive fruits of trees growing in the valley of Florence (Italy), to establish if this approach could be useful for monitoring air pollution by PAH. 9 refs., 3 figs.

  4. Electron correlations and two-photon states in polycyclic aromatic hydrocarbon molecules: A peculiar role of geometry

    SciTech Connect (OSTI)

    Aryanpour, Karan; Shukla, Alok; Mazumdar, Sumit; College of Optical Sciences, University of Arizona, Tucson, Arizona 85721

    2014-03-14

    We present numerical studies of one- and two-photon excited states ordering in a number of polycyclic aromatic hydrocarbon molecules: coronene, hexa-peri-hexabenzocoronene, and circumcoronene, all possessing D{sub 6h} point group symmetry versus ovalene with D{sub 2h} symmetry, within the Pariser-Parr-Pople model of interacting ?-electrons. The calculated energies of the two-photon states as well as their relative two-photon absorption cross-sections within the interacting model are qualitatively different from single-particle descriptions. More remarkably, a peculiar role of molecular geometry is found. The consequence of electron correlations is far stronger for ovalene, where the lowest spin-singlet two-photon state is a quantum superposition of pairs of lowest spin triplet states, as in the linear polyenes. The same is not true for D{sub 6h} group hydrocarbons. Our work indicates significant covalent character, in valence bond language, of the ground state, the lowest spin triplet state and a few of the lowest two-photon states in D{sub 2h} ovalene but not in those with D{sub 6h} symmetry.

  5. Aging of secondary organic aerosol from small aromatic VOCs. Changes in chemical composition, mass yield, volatility and hygroscopicity

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

    Hildebrandt Ruiz, L.; Paciga, A. L.; Cerully, K.; Nenes, A.; Donahue, N. M.; Pandis, S. N.

    2014-12-12

    Secondary organic aerosol (SOA) is transformed after its initial formation, but this chemical aging of SOA is poorly understood. Experiments were conducted in the Carnegie Mellon environmental chamber to form and transform SOA from the photo-oxidation of toluene and other small aromatic volatile organic compounds (VOCs) in the presence of NOx. The effects of chemical aging on organic aerosol (OA) composition, mass yield, volatility and hygroscopicity were explored. Higher exposure to the hydroxyl radical resulted in different OA composition, average carbon oxidation state OSC) and mass yield. The OA oxidation state generally increased during photo-oxidation, and the final OA OSmore » C ranged from -0.29 to 0.45 in the performed experiments. The volatility of OA formed in these different experiments varied by as much as a factor of 30, demonstrating that the OA formed under different oxidizing conditions can have significantly different saturation concentration. There was no clear correlation between hygroscopicity and oxidation state for this relatively hygroscopic SOA.« less

  6. Aromatic nitration with ion radical pairs (ArH/sup +/,NO/sub 2/) as reactive intermediates. Time-resolved studies of charge-transfer activation of dialkoxybenzenes

    SciTech Connect (OSTI)

    Sankararaman, S.; Haney, W.A.; Kochi, J.K.

    1987-08-19

    Aromatic nitrations carried out both under electrophilic conditions and by charge-transfer activation afford the same yields and isomer distributions of nitration products from a common series of aromatic ethers (ArH). Time-resolved spectroscopy establishes the charge-transfer nitration to proceed via the ion radical pair (ArH/sup +/,NO/sub 2/), generated by the deliberate excitation of the electron donor-acceptor or ..pi.. complex of the arene with C(NO/sub 2/)/sub 4/. Laser flash photolysis of the charge-transfer band defines the evolution of the arene cation radical ArH/sup +/ and allows its decay kinetics to be delineated in various solvents and with added salts. The internal trapping of ArH/sup +/ is examined in the substituted p-dimethoxybenzenes CH/sub 3/OC/sub 6/H/sub 4/OCH/sub 2/X with X = CO/sub 2/H, CO/sub 2//sup -/, CO/sub 2/Et, and CH/sub 2/OH as the pendant functional groups. The mechanistic relevance of the collapse of (ArH/sup +/, NO/sub 2/) to the Wheland intermediate is discussed in the context of electrophilic aromatic nitrations.

  7. Pulmonary metabolism of dibenz(a,j)acridine: A carcinogenic heterocyclic aromatic: Final report for period September 1, 1982-June 30, 1986

    SciTech Connect (OSTI)

    Warshawsky, D.

    1987-07-01

    The metabolism of the carcinogenic N-heterocyclic aromatic, dibenz(a,j)-acridine (DBA) was investigated in the isolated perfused lung (IPL) preparation. A significantly increased rate of metabolism was observed for DBA in benzo(a)-pyrene (BaP) and DBA-pretreated animals. This resulted in marked increases in conjugation, in particular sulfates and thioethers, and the distribution of conjugates and total metabolites in blood and lung. When Fe/sub 2/O/sub 3/ was coadministered with DBA to the IPL, the rate of metabolism was significantly decreased with respect to control experiments. This resulted in increased distributions of sulfate and thioether conjugates in blood. Spectroscopic analyses and microsomal enzyme analyses were used in the characterization of the four metabolites identified in the lung. The major nonconjugated metabolite was the 3,4 dihydrodiol of DBA and the three minor metabolites were the 4 and 3 phenol of DBA and a dihydroxy compound of DBA. The results indicate that in the lung DBA is metabolized in a manner similar to that of BaP but different from that of dibenzo-(c,g)carbazole. It is, therefore, apparent that the metabolism of N-heterocyclic aromatics are related to the aromaticity of the heteroatom-containing ring and the solubility of compound, as well as the specific enzymes responsible for activation of the compound. 115 refs., 78 figs., 24 tabs.

  8. Expanded Content Envelope For The Model 9977 Packaging

    SciTech Connect (OSTI)

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

    2013-07-30

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

  9. Featured Content | U.S. DOE Office of Science (SC)

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

    Content High Energy Physics (HEP) HEP Home About Research Facilities Science Highlights Benefits of HEP Funding Opportunities Advisory Committees Community Resources Featured Content 2016 2015 2014 2013 2012-2008 Reports Contact Information High Energy Physics U.S. Department of Energy SC-25/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301) 903-3624 F: (301) 903-2597 E: Email Us More Information » Community Resources Featured Content Print Text Size: A A A

  10. Energy.gov Content Management System Requirements and Guidance | Department

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

    of Energy Energy.gov Content Management System Requirements and Guidance Energy.gov Content Management System Requirements and Guidance The Office of Energy Efficiency and Renewable Energy's (EERE's) websites are hosted in Energy.gov's Drupal content management system (CMS), which is maintained by the U.S. Department of Energy's Public Affairs Office. Learn more about Energy.gov's Drupal CMS requirements and guidance for: Page types Block types Linking File naming conventions Optimizing

  11. Section 15: Content of Compliance Recertification Application(s)

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

    Content of Compliance Recertification Application(s) (40 CFR § 194.15) United States Department of Energy Waste Isolation Pilot Plant Carlsbad Field Office Carlsbad, New Mexico Compliance Recertification Application 2014 Content of Compliance Recertification Application(s) (40 CFR § 194.15) Table of Contents 15.0 Content of Compliance Recertification Application(s) (40 CFR § 194.15) 15.1 Requirements 15.2 Background 15.3 1998 Certification Decision 15.4 Changes in the CRA-2004 15.5 EPA's

  12. Energy.gov Content Management System Data Tables

    Broader source: Energy.gov [DOE]

    For Office of Energy Efficiency and Renewable Energy (EERE) websites, follow these guidelines for creating Section 508-compliant data tables in the Energy.gov content management system.

  13. Similarity Engine: Using Content Similarity to Improve Memory...

    Office of Scientific and Technical Information (OSTI)

    Similarity to Improve Memory Resilience. Citation Details In-Document Search Title: Similarity Engine: Using Content Similarity to Improve Memory Resilience. Abstract not provided. ...

  14. Energy.gov Content Management System Block Types

    Broader source: Energy.gov [DOE]

    For Office of Energy Efficiency and Renewable Energy (EERE) websites, learn about the variety of block types available in the Energy.gov Drupal content management system (CMS).

  15. Modification of Lignin Content of Plant Cell Walls - Energy Innovation...

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

    Biomass and Biofuels Biomass and Biofuels Find More Like This Return to Search Modification of Lignin Content of Plant Cell Walls Brookhaven National Laboratory Contact BNL About ...

  16. Thorium, uranium and rare earth elements content in lanthanide...

    Office of Scientific and Technical Information (OSTI)

    Thorium, uranium and rare earth elements content in lanthanide concentrate (LC) and water ... in lanthanide concentrate (LC) and water leach purification (WLP) residue of Lynas ...

  17. Information Content of the Low-Energy Electric Dipole Strength...

    Office of Scientific and Technical Information (OSTI)

    Purpose: We study the information content carried by the ... Methods: We use the self-consistent nuclear density ... Country of Publication: United States Language: English Word ...

  18. Featured Content | U.S. DOE Office of Science (SC)

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

    Resources » Featured Content Advanced Scientific Computing Research (ASCR) ASCR Home About Research Facilities Science Highlights Benefits of ASCR Funding Opportunities Advanced Scientific Computing Advisory Committee (ASCAC) Community Resources Featured Content 2016 Archive ASCR Discovery ASCR Program Documents ASCR Workshops and Conferences Contact Information Advanced Scientific Computing Research U.S. Department of Energy SC-21/Germantown Building 1000 Independence Ave., SW Washington, DC

  19. Consideration of Factors Affecting Strip Effluent PH and Sodium Content

    SciTech Connect (OSTI)

    Peters, T.

    2015-07-29

    A number of factors were investigated to determine possible reasons for why the Strip Effluent (SE) can sometimes have higher than expected pH values and/or sodium content, both of which have prescribed limits. All of the factors likely have some impact on the pH values and Na content.

  20. SPITZER DETECTION OF POLYCYCLIC AROMATIC HYDROCARBONS AND SILICATE FEATURES IN POST-AGB STARS AND YOUNG PLANETARY NEBULAE

    SciTech Connect (OSTI)

    Cerrigone, Luciano; Hora, Joseph L.; Umana, Grazia; Trigilio, Corrado

    2009-09-20

    We have observed a small sample of hot post-asymptotic giant branch (AGB) stars with the Infrared Array Camera (IRAC) and the Infrared Spectrograph (IRS) on board the Spitzer Space Telescope. The stars were selected from the literature on the basis of their far-infrared (IR) excess (i.e., post-AGB candidates) and B spectral type (i.e., close to the ionization of the envelope). The combination of our IRAC observations with Two Micron All Sky Survey and IRAS catalog data, along with previous radio observations in the cm range (where available) allowed us to model the spectral energy distributions of our targets and find that in almost all of them at least two shells of dust at different temperatures must be present, the hot dust component ranging up to 10{sup 3} K. In several targets, grains larger than 1 {mu}m are needed to match the far-IR data points. In particular, in IRAS 17423-1755 grains up to 100 {mu}m must be introduced to match the emission in the millimeter range. We obtained IRS spectra to identify the chemistry of the envelopes and found that more than one-third of the sources in our sample have mixed chemistry, showing both mid-IR bands attributed to polycyclic aromatic hydrocarbons (PAHs) and silicate features. The analysis of the PAH features indicates that these molecules are located in the outflows, far away from the central stars. We consider the larger than expected percentage of mixed-chemistry targets as a selection bias toward stars with a disk or torus around them. Our results strengthen the current picture of mixed chemistry being due to the spatial segregation of different dust populations in the envelopes.

  1. Laser photoionization time-of-flight mass spectrometry of nitrated polycyclic aromatic hydrocarbons and nitrated heterocyclic compounds. Master's thesis

    SciTech Connect (OSTI)

    Noyes, R.A.

    1993-01-01

    Partial Contents: Laser Desorption-Laser Photoionization Time-of-Flight Mass Spectrometry; Basic Principles of TOFMS; Factors Affecting Flight Time; Source of Broadening; Laser Desorption; Theory of Multiphoton Ionization: Application to Mass Spectrometry; Quantum Theory of MPI; Time-Dependent Perturbation Theory; Time-Dependent Coefficients; Probability of a Two-Photon Process; and Attributes of R2PI.

  2. Application Content and Evaluation Criteria/Process | Department...

    Office of Environmental Management (EM)

    Presentation on Application Content and Evaluation CriteriaProcess presented at the PEM fuel cell pre-solicitation meeting held May 26, 2005 in Arlington, VA. fcwrkshpreg.pdf ...

  3. Recent content in Databus | OpenEI Community

    Open Energy Info (EERE)

    Question Groups Menu You must login in order to post into this group. Recent content Hello-Sorry for the delay in... Use of DynamicAggregationProcessor I submitted a pull...

  4. Impact of Fission Products Impurity on the Plutonium Content...

    Office of Scientific and Technical Information (OSTI)

    Impact of Fission Products Impurity on the Plutonium Content of Metal- and Oxide- Fuels in Sodium Cooled Fast Reactors Citation Details In-Document Search Title: Impact of Fission ...

  5. Recent content in Linked Open Data Workshop in Washington, D...

    Open Energy Info (EERE)

    Recent content in Linked Open Data Workshop in Washington, D.C. Home Name Post date sort icon Type Detailed Planning Kicks Off Jweers 27 Sep 2012 - 06:53 Blog entry Notes from the...

  6. T-544: Cisco Security Advisory: Cisco Content Services Gateway...

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

    a single content service to be active on the Cisco CSG2 and can be exploited via crafted TCP packets. A three-way handshake is not required to exploit either of these...

  7. Mercury Contents of Natural Thermal and Mineral Fluids, In- U...

    Open Energy Info (EERE)

    Paper 713 Jump to: navigation, search OpenEI Reference LibraryAdd to library Book Section: Mercury Contents of Natural Thermal and Mineral Fluids, In- U.S. Geological...

  8. A Review Of Water Contents Of Nominally Anhydrous Natural Minerals...

    Open Energy Info (EERE)

    Of Water Contents Of Nominally Anhydrous Natural Minerals In The Mantles Of Earth, Mars And The Moon Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal...

  9. Recommending personally interested contents by text mining, filtering, and interfaces

    DOE Patents [OSTI]

    xu, Songhua

    2015-11-05

    A personalized content recommendation system includes a client interface device configured to monitor a user's information data stream. A collaborative filter remote from the client interface device generates automated predictions about the interests of the user. A database server stores personal behavioral profiles and user's preferences based on a plurality of monitored past behaviors and an output of the collaborative user personal interest inference engine. A programmed personal content recommendation server filters items in an incoming information stream with the personal behavioral profile and identifies only those items of the incoming information stream that substantially matches the personal behavioral profile. The identified personally relevant content is then recommended to the user following some priority that may consider the similarity between the personal interest matches, the context of the user information consumption behaviors that may be shown by the user's content consumption mode.

  10. OSTI search tools cited for "high quality" content | OSTI, US...

    Office of Scientific and Technical Information (OSTI)

    Thomson Scientific recently selected several OSTI search tools and Science.gov for inclusion in Current Web Contents(tm), a growing collection of scholarly Web sites. Thomson cited ...

  11. Recommending personally interested contents by text mining, filtering, and interfaces

    SciTech Connect (OSTI)

    Xu, Songhua

    2015-10-27

    A personalized content recommendation system includes a client interface device configured to monitor a user's information data stream. A collaborative filter remote from the client interface device generates automated predictions about the interests of the user. A database server stores personal behavioral profiles and user's preferences based on a plurality of monitored past behaviors and an output of the collaborative user personal interest inference engine. A programmed personal content recommendation server filters items in an incoming information stream with the personal behavioral profile and identifies only those items of the incoming information stream that substantially matches the personal behavioral profile. The identified personally relevant content is then recommended to the user following some priority that may consider the similarity between the personal interest matches, the context of the user information consumption behaviors that may be shown by the user's content consumption mode.

  12. Featured Content | U.S. DOE Office of Science (SC)

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

    Resources » Featured Content Fusion Energy Sciences (FES) FES Home About Research Facilities Science Highlights Benefits of FES Funding Opportunities Fusion Energy Sciences Advisory Committee (FESAC) Community Resources Featured Content 2016 Workshop Reports FES Presentations FES Program Documents Contact Information Fusion Energy Sciences U.S. Department of Energy SC-24/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301) 903-4941 F: (301) 903-8584 E: Email Us More

  13. Transcription factors for modification of lignin content in plants

    DOE Patents [OSTI]

    Wang, Huanzhong; Chen, Fang; Dixon, Richard A.

    2015-06-02

    The invention provides methods for modifying lignin, cellulose, xylan, and hemicellulose content in plants, and for achieving ectopic lignification and, for instance, secondary cell wall synthesis in pith cells, by altered regulation of a WRKY transcription factor. Nucleic acid constructs for altered WRKY-TF expression are described. Transgenic plants are provided that comprise modified pith cell walls, and lignin, cellulose, and hemicellulose content. Plants described herein may be used, for example, as improved biofuel feedstock and as highly digestible forage crops.

  14. Plants with modified lignin content and methods for production thereof

    SciTech Connect (OSTI)

    Zhao, Qiao; Chen, Fang; Dixon, Richard A.

    2014-08-05

    The invention provides methods for decreasing lignin content and for increasing the level of fermentable carbohydrates in plants by down-regulation of the NST transcription factor. Nucleic acid constructs for down-regulation of NST are described. Transgenic plants are provided that comprise reduced lignin content. Plants described herein may be used, for example, as improved biofuel feedstock and as highly digestible forage crops. Methods for processing plant tissue and for producing ethanol by utilizing such plants are also provided.

  15. DOE NEPA Guidance and Requirements - Search Index - List of Contents |

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

    Department of Energy List of Contents DOE NEPA Guidance and Requirements - Search Index - List of Contents Return to Download Page The NEPA Guidance and Requirements - Search Index includes: A Brief Guide - DOE-wide Contracts For NEPA Documentation [DOE][2003] A Citizen's Guide to the NEPA - Having Your Voice Heard [CEQ][2007] A Resource Handbook on DOE Transportation Risk Assessment [DOE][2002] Actions During the NEPA Process - Interim Actions [DOE][2003] Administrative Record Guidance

  16. DOE NEPA Guidance and Requirements - Search Index - Table of Contents |

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

    Department of Energy Table of Contents DOE NEPA Guidance and Requirements - Search Index - Table of Contents Return to Download Page The DOE NEPA Guidance and Requirements - Search Index includes: NEPA Guidance and Requirements Documents Issued by Published A Brief Guide - DOE-wide Contracts For NEPA Documentation DOE 2003 A Citizen's Guide to the NEPA - Having Your Voice Heard CEQ 2007 A Resource Handbook on DOE Transportation Risk Assessment DOE 2002 Actions During the NEPA Process -

  17. Effect of B20 and Low Aromatic Diesel on Transit Bus NOx Emissions Over Driving Cycles with a Range of Kinetic Intensity

    SciTech Connect (OSTI)

    Lammert, M. P.; McCormick, R. L.; Sindler, P.; Williams, A.

    2012-10-01

    Oxides of nitrogen (NOx) emissions for transit buses for up to five different fuels and three standard transit duty cycles were compared to establish whether there is a real-world biodiesel NOx increase for transit bus duty cycles and engine calibrations. Six buses representing the majority of the current national transit fleet and including hybrid and selective catalyst reduction systems were tested on a heavy-duty chassis dynamometer with certification diesel, certification B20 blend, low aromatic (California Air Resources Board) diesel, low aromatic B20 blend, and B100 fuels over the Manhattan, Orange County and UDDS test cycles. Engine emissions certification level had the dominant effect on NOx; kinetic intensity was the secondary driving factor. The biodiesel effect on NOx emissions was not statistically significant for most buses and duty cycles for blends with certification diesel, except for a 2008 model year bus. CARB fuel had many more instances of a statistically significant effect of reducing NOx. SCR systems proved effective at reducing NOx to near the detection limit on all duty cycles and fuels, including B100. While offering a fuel economy benefit, a hybrid system significantly increased NOx emissions over a same year bus with a conventional drivetrain and the same engine.

  18. RECONSTRUCTING THE STELLAR MASS DISTRIBUTIONS OF GALAXIES USING S{sup 4}G IRAC 3.6 AND 4.5 {mu}m IMAGES. I. CORRECTING FOR CONTAMINATION BY POLYCYCLIC AROMATIC HYDROCARBONS, HOT DUST, AND INTERMEDIATE-AGE STARS

    SciTech Connect (OSTI)

    Meidt, Sharon E.; Schinnerer, Eva; Bosma, Albert; Athanassoula, E.; Sheth, Kartik; Munoz-Mateos, Juan-Carlos; Buta, Ronald J.; Zaritsky, Dennis; Hinz, Joannah L.; Skibba, Ramin A.; Laurikainen, Eija; Salo, Heikki; Elmegreen, Debra; Elmegreen, Bruce G.; Gadotti, Dimitri A.; Regan, Michael; Ho, Luis C.; Madore, Barry F.; Gil de Paz, Armando; and others

    2012-01-01

    With the aim of constructing accurate two-dimensional maps of the stellar mass distribution in nearby galaxies from Spitzer Survey of Stellar Structure in Galaxies 3.6 and 4.5 {mu}m images, we report on the separation of the light from old stars from the emission contributed by contaminants. Results for a small sample of six disk galaxies (NGC 1566, NGC 2976, NGC 3031, NGC 3184, NGC 4321, and NGC 5194) with a range of morphological properties, dust content, and star formation histories are presented to demonstrate our approach. To isolate the old stellar light from contaminant emission (e.g., hot dust and the 3.3 {mu}m polycyclic aromatic hydrocarbon (PAH) feature) in the IRAC 3.6 and 4.5 {mu}m bands we use an independent component analysis (ICA) technique designed to separate statistically independent source distributions, maximizing the distinction in the [3.6]-[4.5] colors of the sources. The technique also removes emission from evolved red objects with a low mass-to-light ratio, such as asymptotic giant branch (AGB) and red supergiant (RSG) stars, revealing maps of the underlying old distribution of light with [3.6]-[4.5] colors consistent with the colors of K and M giants. The contaminants are studied by comparison with the non-stellar emission imaged at 8 {mu}m, which is dominated by the broad PAH feature. Using the measured 3.6 {mu}m/8 {mu}m ratio to select individual contaminants, we find that hot dust and PAHs together contribute between {approx}5% and 15% to the integrated light at 3.6 {mu}m, while light from regions dominated by intermediate-age (AGB and RSG) stars accounts for only 1%-5%. Locally, however, the contribution from either contaminant can reach much higher levels; dust contributes on average 22% to the emission in star-forming regions throughout the sample, while intermediate-age stars contribute upward of 50% in localized knots. The removal of these contaminants with ICA leaves maps of the old stellar disk that retain a high degree of

  19. Infrared identification of the {sigma}-complex of Cl-C{sub 6}H{sub 6} in the reaction of chlorine atom and benzene in solid para-hydrogen

    SciTech Connect (OSTI)

    Bahou, Mohammed; Witek, Henryk; Lee, Yuan-Pern

    2013-02-21

    The reaction of a chlorine atom with benzene (C{sub 6}H{sub 6}) is important in organic chemistry, especially in site-selective chlorination reactions, but its product has been a subject of debate for five decades. Previous experimental and theoretical studies provide no concrete conclusion on whether the product is a {pi}- or {sigma}-form of the Cl-C{sub 6}H{sub 6} complex. We took advantage of the diminished cage effect of para-hydrogen (p-H{sub 2}) to produce Cl in situ to react with C{sub 6}H{sub 6} (or C{sub 6}D{sub 6}) upon photolysis of a Cl{sub 2}/C{sub 6}H{sub 6} (or C{sub 6}D{sub 6})/p-H{sub 2} matrix at 3.2 K. The infrared spectrum, showing intense lines at 1430.5, 833.6, 719.8, 617.0, and 577.4 cm{sup -1}, and several weaker ones for Cl-C{sub 6}H{sub 6}, and the deuterium shifts of observed new lines unambiguously indicate that the product is a 6-chlorocyclohexadienyl radical, i.e., the {sigma}-complex of Cl-C{sub 6}H{sub 6}. Observation of the {sigma}-complex rather than the {pi}-complex indicates that the {sigma}-complex is more stable in solid p-H{sub 2} at 3.2 K. The spectral information is crucial for further investigations of the Cl + C{sub 6}H{sub 6} reaction either in the gaseous or solution phase.

  20. RH-TRU Waste Content Codes (RH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-08-01

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

  1. Hydrothermal chemistry of Th(IV) with aromatic dicarboxylates: New framework compounds and in situ ligand syntheses

    SciTech Connect (OSTI)

    Ziegelgruber, Kate L.; Knope, Karah E.; Frisch, Mark; Cahill, Christopher L.

    2008-02-15

    A novel thorium (IV) coordination polymer, Th(C{sub 5}H{sub 2}N{sub 2}O{sub 4}){sub 2}(H{sub 2}O){sub 2} (1), has been prepared under the hydrothermal reaction of thorium nitrate tetrahydrate and 3,5-pyrazoledicarboxylic acid (H{sub 3}pdc). Compound 1 (orthorhombic, P2{sub 1}2{sub 1}2{sub 1}, a=6.9362(5) A, b=10.7806(8) A, c=17.9915(14) A, Z=2, R{sub 1}=0.0210, wR{sub 2}=0.0470) consists of thorium metal centers connected via H{sub 3}pdc linkages to form an overall three-dimensional structure containing {pi}-{pi} interactions between the pyrazole rings. 2,3-Pyrazinedicarboxylic acid (H{sub 2}pzdc) was explored as well to (1) study the effect of the location of the carboxylic groups around the aromatic ring and (2) produce heterometallic compounds. Thorium (IV) and copper (II) were combined with H{sub 2}pzdc, resulting in an interesting decomposition reaction characterized though the isolation of Th(C{sub 2}O{sub 4}){sub 2}(H{sub 2}O){sub 2}.2H{sub 2}O (2) (monoclinic, C2/c, a=13.8507(12) A, b=7.8719(7) A, c=10.7961(16) A, {beta}=118.0310(10){sup o}, Z=2, R{sub 1}=0.0160, wR{sub 2}=0.0349), Cu(C{sub 6}H{sub 2}N{sub 2}O{sub 4}) (3) (monoclinic, C2/c, a=11.499(3) A, b=7.502(2) A, c=7.402(2) A, {beta}=93.892(5){sup o}, Z=4, R{sub 1}=0.0472, wR{sub 2}=0.0745) and Cu(C{sub 5}H{sub 3}N{sub 2}O{sub 2})(NO{sub 3})(H{sub 2}O) (4). The capture of these species provides mechanistic evidence for the formation of the oxalate anions observed in 2 via the decarboxylation of H{sub 2}pzdc to yield the linker in 4: 2-pyrazinecarboxylate anions. - Graphical abstract: 3,5-Pyrazoledicarboxylic and 2,3-pyridinedicarboxylic acid were utilized in synthesizing two novel thorium (IV) coordination polymers. Attempts to synthesize a Th-Cu bimetallic compound with 2,3-pyridinedicarboxylic acid resulted in a triphasic mixture (2, 3 and 4, respectively). The oxalate anion observed in Th(C{sub 2}O{sub 4}){sub 2}(H{sub 2}O){sub 2}.2H{sub 2}O (2) is theorized to result from decarboxylation of 2

  2. Turbidimetric determination of the total glucozinolate content of rape

    SciTech Connect (OSTI)

    Kononova, R.V.; Chaika, I.K.; Levitskii, A.P.; Lucashenok, E.V.

    1986-03-01

    The objective of the investigation was to develop a procedure for the determination of the total GZ (glucozinolate--non-nurishing substances found in rapeseed) content from the content of sulfate ion SO/sup 2 -4/which is formed in the fermentative hydrolysis of GZ, based on the degree of turbidity formed by the addition of a barium chloride solution in the presence of the surfactant Tween-80 (poly(20)ethoxysorbitan monooleate.). The supernatant liquid is used to determine the SO/sup 2 -4 -/ion before and after fermentative hydrolysis. The GZ content of the analyzed sample of rapeseed raw material was calculated from an equation. Data show that the precision, reliability, and reproducibility of the results obtained by the proposed method are satisfactory. The procedure can be sued for serial analysis in selection establishments as well as feed production plants.

  3. Measurement of Moisture Content in Sand, Slag, and Crucible Materials

    SciTech Connect (OSTI)

    Gray, J.H.

    1999-09-20

    The deinventory process at Rocky Flats (RFETS) has included moisture content measurements of sand, slag, and crucible (SSC) materials by performing weight loss measurements at 210 degrees - 220 degrees Celsius on representative samples prior to packaging for shipment. Shipping requirements include knowledge of the moisture content. Work at the Savannah River Technology Center (SRTC) showed that the measurement at 210 degrees - 220 degrees Celsius did not account for all of the moisture. The objective of the work in this report was to determine if the measurement at 210 degrees - 220 degrees Celsius at RFETS could be used to set upper bounds on moisture content and therefore, eliminate the need for RFETS to unpack, reanalyze and repack the material.

  4. Content Analysis for Proactive Intelligence: Marshaling Frame Evidence

    SciTech Connect (OSTI)

    Sanfilippo, Antonio P.; Cowell, Andrew J.; Tratz, Stephen C.; Boek, Annie M.; Cowell, Amanda K.; Posse, Christian; Pouchard, Line C.

    2007-07-22

    Modeling and simulation have great potential as technologies capable of aiding analysts in making accurate predictions of future situations to help provide competitive advantage and avoid strategic surprise. However, to make modeling and simulation effective, an evidence marshaling process is needed that addresses the information needs of the modeling task, as detailed by subject matter experts. We suggest that such an evidence marshaling process can be obtained by combining natural language processing and content analysis techniques to provide quantified qualitative content assessments, and describe a case study with specific reference to the acquisition and marshaling of frames from unstructured text.

  5. Content Analysis for Proactive Intelligence: Marshaling Frame Evidence.

    SciTech Connect (OSTI)

    Sanfilippo, Antonio; Cowell, Andrew; Pouchard, Line Catherine

    2007-07-01

    Modeling and simulation have great potential as technologies capable of aiding analysts in making accurate predictions of future situations to help provide competitive advantage and avoid strategic surprise. However, to make modeling and simulation effective, an evidence-marshaling process is needed that addresses the information needs of the modeling task, as detailed by subject matter experts. We suggest that such an evidence-marshaling process can be obtained by combining natural language processing and content analysis techniques to provide quantified qualitative content assessments, and describe a case study on the acquisition and marshaling of frames from unstructured text.

  6. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-06-20

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

  7. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-12-20

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

  8. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-06-20

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

  9. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-09-20

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

  10. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-05-01

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

  11. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-01-18

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

  12. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-02-15

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

  13. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-08-15

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

  14. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-12-15

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

  15. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-08-15

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

  16. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-11-20

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

  17. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-08-15

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

  18. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2007-06-15

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

  19. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2006-09-15

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

  20. CH-TRU Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-10-15

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

  1. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2004-10-01

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

  2. CH-TRU Waste Content Codes (CH TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2004-12-01

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

  3. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-03-15

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

  4. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-01-15

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

  5. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions LLC

    2005-01-30

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

  6. RH-TRU Waste Content Codes (RH TRUCON)

    SciTech Connect (OSTI)

    Washington TRU Solutions

    2007-05-01

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

  7. Modification of lignin content and composition in plants

    DOE Patents [OSTI]

    Ye, Zheng-Hua

    2002-01-01

    Plants and methods of preparing plants having reduced lignin content and/or altered lignin composition are provided. The activities of caffeoyl-CoA O-methyltransferase and/or caffeic acid O-methyltransferase enzymes in the modified plants are reduced.

  8. Survey of mercury, cadmium and lead content of household batteries

    SciTech Connect (OSTI)

    Recknagel, Sebastian; Radant, Hendrik; Kohlmeyer, Regina

    2014-01-15

    Highlights: • A well selected sample of 146 batteries was analysed for its heavy metals content. • A comparison was made between heavy metals contents in batteries in 2006 and 2011. • No significant change after implementation of the new EU Batteries Directive. • Severe differences in heavy metal contents were found in different battery-types. - Abstract: The objective of this work was to provide updated information on the development of the potential impact of heavy metal containing batteries on municipal waste and battery recycling processes following transposition of the new EU Batteries Directive 2006/66/EC. A representative sample of 146 different types of commercially available dry and button cells as well as lithium-ion accumulators for mobile phones were analysed for their mercury (Hg)-, cadmium (Cd)- and lead (Pb)-contents. The methods used for preparing the cells and analysing the heavy metals Hg, Cd, and Pb were either developed during a former study or newly developed. Several batteries contained higher mass fractions of mercury or cadmium than the EU limits. Only half of the batteries with mercury and/or lead fractions above the marking thresholds were labelled. Alkaline–manganese mono-cells and Li-ion accumulators, on average, contained the lowest heavy metal concentrations, while zinc–carbon batteries, on average, contained the highest levels.

  9. Energy.gov Content Management System Page Types

    Broader source: Energy.gov [DOE]

    For Office of Energy Efficiency and Renewable Energy (EERE) websites, learn about the standard page types available in the Energy.gov Drupal content management system (CMS). For information about other available page types, or to request a new kind of page type, contact the Site Coordinators.

  10. STIP Footer Content | OSTI, US Dept of Energy Office of Scientific...

    Office of Scientific and Technical Information (OSTI)

    Footer Content STIP Footer Content My Profile Create Review OSTI.Gov Newsletter - Issue ... PoliciesImportant Links National Library of Energy science.gov ...

  11. Table 41. No. 2 Diesel Fuel Prices by Sulfur Content, Sales...

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

    Content, Sales Type, and PAD District 242 Energy Information Administration Petroleum Marketing Annual 1997 Table 41. No. 2 Diesel Fuel Prices by Sulfur Content, Sales Type,...

  12. Table 41. No. 2 Diesel Fuel Prices by Sulfur Content, Sales...

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

    Content, Sales Type, and PAD District 242 Energy Information Administration Petroleum Marketing Annual 1996 Table 41. No. 2 Diesel Fuel Prices by Sulfur Content, Sales Type,...

  13. WFIP NOAA Final Report - Page i DE-EE0003080 TABLE OF CONTENTS

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

    WFIP NOAA Final Report - Page i DE-EE0003080 TABLE OF CONTENTS TABLE OF CONTENTS ................................................................................................................................. i Executive Summary .................................................................................................................................. 1 1. Project Overview

  14. Non-covalent interactions of nitrous oxide with aromatic compounds: Spectroscopic and computational evidence for the formation of 1:1 complexes

    SciTech Connect (OSTI)

    Cao, Qian; School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275 ; Gor, Gennady Y.; Krogh-Jespersen, Karsten; Khriachtchev, Leonid

    2014-04-14

    We present the first study of intermolecular interactions between nitrous oxide (N{sub 2}O) and three representative aromatic compounds (ACs): phenol, cresol, and toluene. The infrared spectroscopic experiments were performed in a Ne matrix and were supported by high-level quantum chemical calculations. Comparisons of the calculated and experimental vibrational spectra provide direct identification and characterization of the 1:1 N{sub 2}O-AC complexes. Our results show that N{sub 2}O is capable of forming non-covalently bonded complexes with ACs. Complex formation is dominated by dispersion forces, and the interaction energies are relatively low (about ?3 kcal mol{sup ?1}); however, the complexes are clearly detected by frequency shifts of the characteristic bands. These results suggest that N{sub 2}O can be bound to the amino-acid residues tyrosine or phenylalanine in the form of ? complexes.

  15. Method for creating high carbon content products from biomass oil

    DOE Patents [OSTI]

    Parker, Reginald; Seames, Wayne

    2012-12-18

    In a method for producing high carbon content products from biomass, a biomass oil is added to a cracking reactor vessel. The biomass oil is heated to a temperature ranging from about 100.degree. C. to about 800.degree. C. at a pressure ranging from about vacuum conditions to about 20,700 kPa for a time sufficient to crack the biomass oil. Tar is separated from the cracked biomass oil. The tar is heated to a temperature ranging from about 200.degree. C. to about 1500.degree. C. at a pressure ranging from about vacuum conditions to about 20,700 kPa for a time sufficient to reduce the tar to a high carbon content product containing at least about 50% carbon by weight.

  16. Method and apparatus for determining fat content of tissue

    DOE Patents [OSTI]

    Weber, Thomas M.; Spletzer, Barry L.; Bryan, Jon R.; Dickey, Fred M.; Shagam, Richard N.; Gooris, Luc

    2001-01-01

    A method and apparatus for determining characteristics of tissue is disclosed. The method comprises supplying optical energy to a tissue and detecting at a plurality of locations consequent energy scattered by the tissue. Analysis of the scattered energy as taught herein provides information concerning the properties of the tissue, specifically information related to the fat and lean content and thickness of the tissue. The apparatus comprises a light source adapted to deliver optical energy to a tissue. A plurality of detectors can be mounted at different positions relative to the source to detect energy scattered by the tissue. A signal processor as taught herein can determine characteristics of the tissue from the signals from the detectors and locations of the detectors, specifically information related to the fat and lean content and thickness of the tissue.

  17. Process for production of synthesis gas with reduced sulfur content

    DOE Patents [OSTI]

    Najjar, Mitri S.; Corbeels, Roger J.; Kokturk, Uygur

    1989-01-01

    A process for the partial oxidation of a sulfur- and silicate-containing carbonaceous fuel to produce a synthesis gas with reduced sulfur content which comprises partially oxidizing said fuel at a temperature in the range of 1800.degree.-2200.degree. F. in the presence of a temperature moderator, an oxygen-containing gas and a sulfur capture additive which comprises an iron-containing compound portion and a sodium-containing compound portion to produce a synthesis gas comprising H.sub.2 and CO with a reduced sulfur content and a molten slag which comprises (i) a sulfur-containing sodium-iron silicate phase and (ii) a sodium-iron sulfide phase. The sulfur capture additive may optionally comprise a copper-containing compound portion.

  18. Deposition of device quality low H content, amorphous silicon films

    DOE Patents [OSTI]

    Mahan, Archie H.; Carapella, Jeffrey C.; Gallagher, Alan C.

    1995-01-01

    A high quality, low hydrogen content, hydrogenated amorphous silicon (a-Si:H) film is deposited by passing a stream of silane gas (SiH.sub.4) over a high temperature, 2000.degree. C., tungsten (W) filament in the proximity of a high temperature, 400.degree. C., substrate within a low pressure, 8 mTorr, deposition chamber. The silane gas is decomposed into atomic hydrogen and silicon, which in turn collides preferably not more than 20-30 times before being deposited on the hot substrate. The hydrogenated amorphous silicon films thus produced have only about one atomic percent hydrogen, yet have device quality electrical, chemical, and structural properties, despite this lowered hydrogen content.

  19. Deposition of device quality low H content, amorphous silicon films

    DOE Patents [OSTI]

    Mahan, A.H.; Carapella, J.C.; Gallagher, A.C.

    1995-03-14

    A high quality, low hydrogen content, hydrogenated amorphous silicon (a-Si:H) film is deposited by passing a stream of silane gas (SiH{sub 4}) over a high temperature, 2,000 C, tungsten (W) filament in the proximity of a high temperature, 400 C, substrate within a low pressure, 8 mTorr, deposition chamber. The silane gas is decomposed into atomic hydrogen and silicon, which in turn collides preferably not more than 20--30 times before being deposited on the hot substrate. The hydrogenated amorphous silicon films thus produced have only about one atomic percent hydrogen, yet have device quality electrical, chemical, and structural properties, despite this lowered hydrogen content. 7 figs.

  20. Catalytic hydroprocessing of aromatic compounds: Effects of nickel and vanadium sulfide deposits on reactivities and reaction networks

    SciTech Connect (OSTI)

    Yumoto, Mitsugu |; Kukes, S.G.; Klein, M.T.; Gates, B.C. |

    1996-09-01

    Ni-Mo/{gamma}-Al{sub 2}O{sub 3} hydroprocessing catalysts enriched in nickel and vanadium by contacting with solutions of the respective metal naphthenates were sulfided and tested for hydroprocessing of naphthalene, dibenzothiophene, and quinoline in a batch reactor at 350 C and 165 atm. Approximately reaction networks were determined for each reactant, and the data showed the dependence of the pseudo-first-order rate constants on the catalyst nickel and vanadium contents. The nickel sulfide deposits only slightly affected the rate constants for hydrogenation, but the vanadium sulfide deposits led to decreases in the rate constants for hydrogenation reactions in the naphthalene network and to increases in those for hydrogenation reactions in the dibenzothiophene network. Nickel sulfide deposits led to almost no change in the rate constants for hydrogenolysis of dibenzothiophene, but vanadium sulfide deposits led to decreased rate constant for this reaction. The nickel sulfide deposits have little activity for reactions giving lower-molecular-weight (cracking) products, but the vanadium sulfide deposits have a relatively high activity for cracking, which suggests that they are acidic; the effects are reversed by the presence of the basic quinoline in the reactants. The results indicate a need for representing the nickel and vanadium sulfide deposits separately in process models for heavy oil hydroprocessing.

  1. T-544: Cisco Security Advisory: Cisco Content Services Gateway Vulnerabilities

    Broader source: Energy.gov [DOE]

    Cisco IOS Software Release 12.4(24)MD1 on the Cisco CSG2 contains two vulnerabilities that can be exploited by a remote, unauthenticated attacker to create a denial of service condition that prevents traffic from passing through the CSG2. These vulnerabilities require only a single content service to be active on the Cisco CSG2 and can be exploited via crafted TCP packets. A three-way handshake is not required to exploit either of these vulnerabilities.

  2. Assembly of Repeat Content Using Next Generation Sequencing Data

    SciTech Connect (OSTI)

    labutti, Kurt; Kuo, Alan; Grigoriev, Igor; Copeland, Alex

    2014-03-17

    Repetitive organisms pose a challenge for short read assembly, and typically only unique regions and repeat regions shorter than the read length, can be accurately assembled. Recently, we have been investigating the use of Pacific Biosciences reads for de novo fungal assembly. We will present an assessment of the quality and degree of repeat reconstruction possible in a fungal genome using long read technology. We will also compare differences in assembly of repeat content using short read and long read technology.

  3. CRF Researchers Are Source for 2015 QTR Sidebar Content

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

    Researchers Are Source for 2015 QTR Sidebar Content - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste

  4. Determining inert content in coal dust/rock dust mixture

    DOE Patents [OSTI]

    Sapko, Michael J.; Ward, Jr., Jack A.

    1989-01-01

    A method and apparatus for determining the inert content of a coal dust and rock dust mixture uses a transparent window pressed against the mixture. An infrared light beam is directed through the window such that a portion of the infrared light beam is reflected from the mixture. The concentration of the reflected light is detected and a signal indicative of the reflected light is generated. A normalized value for the generated signal is determined according to the relationship .phi.=(log i.sub.c `log i.sub.co) / (log i.sub.c100 -log i.sub.co) where i.sub.co =measured signal at 0% rock dust i.sub.c100 =measured signal at 100% rock dust i.sub.c =measured signal of the mixture. This normalized value is then correlated to a predetermined relationship of .phi. to rock dust percentage to determine the rock dust content of the mixture. The rock dust content is displayed where the percentage is between 30 and 100%, and an indication of out-of-range is displayed where the rock dust percent is less than 30%. Preferably, the rock dust percentage (RD%) is calculated from the predetermined relationship RD%=100+30 log .phi.. where the dust mixture initially includes moisture, the dust mixture is dried before measuring by use of 8 to 12 mesh molecular-sieves which are shaken with the dust mixture and subsequently screened from the dust mixture.

  5. 2008 Annual Merit Review Results Summary - Cover and Table of Contents |

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

    Department of Energy Cover and Table of Contents 2008 Annual Merit Review Results Summary - Cover and Table of Contents DOE Vehicle Technologies Annual Merit Review 2008_merit_review_contents.pdf (120.29 KB) More Documents & Publications 2008 Annual Merit Review Results Summary Headquarters Facilities Master Security Plan - Table of Contents EIS-0436: Draft Environmental Impact Statement

  6. Impact of California Phase 2 reformulated gasoline on atmospheric reactivity of exhaust and evaporative emissions

    SciTech Connect (OSTI)

    Kirchstetter, T.W.; Singer, B.C.; Harley, R.A.; Kendall, G.R.; Traverse, M.

    1997-12-31

    Phase 2 of California`s reformulated gasoline (RFG) program took effect statewide in the first half of 1996. Changes to gasoline composition required by Phase 2 specifications included: lower vapor pressure; lower olefin, aromatic, benzene, and sulfur content; lower T50 and T90; and a minimum oxygen content. In this paper, impacts of Phase 2 RFG on the atmospheric reactivity of motor vehicle exhaust and evaporative emissions are described. Volatile organic compounds in motor vehicle exhaust were measured at the Caldecott tunnel in summer 1995 and 1996. Aggregate emissions of greater than 8000 vehicles were measured each day. Regular and premium grade gasoline samples were collected from service stations in Berkeley concurrently with tunnel measurements both summers. Liquid gasoline samples and their headspace vapors were analyzed to determine detailed chemical composition. Normalized reactivity was calculated for exhaust and evaporative emissions by applying maximum incremental reactivity values to the detailed speciation profiles. Results indicate that the composition of gasoline in 1996 differed markedly from that of 1995. Changes in liquid gasoline composition led to corresponding changes in the speciation of vehicle exhaust and of gasoline headspace vapors. Benzene concentration in liquid gasoline decreased from 2.0 to 0.6 wt%, which contributed to a 70 and 37% reduction in benzene weight fraction in headspace vapors and vehicle exhaust, respectively. Addition of MTBE and reduction of olefins and aromatics in gasoline led to significant reductions in the atmospheric reactivity of unburned gasoline and gasoline headspace vapors. The normalized reactivity of liquid gasoline and headspace vapors decreased by 23 and 19%, respectively, between 1995 and 1996. The normalized reactivity of non-methane organic compounds in vehicle exhaust decreased by about 8%, but the uncertainty in this change was large.

  7. Content-addressable memory based enforcement of configurable policies

    SciTech Connect (OSTI)

    Berg, Michael J

    2014-05-06

    A monitoring device for monitoring transactions on a bus includes content-addressable memory ("CAM") and a response policy unit. The CAM includes an input coupled to receive a bus transaction tag based on bus traffic on the bus. The CAM stores data tags associated with rules of a security policy to compare the bus transaction tag to the data tags. The CAM generates an output signal indicating whether one or more matches occurred. The response policy unit is coupled to the CAM to receive the output signal from the CAM and to execute a policy action in response to the output signal.

  8. Measurements of the kaon content in tau decays

    SciTech Connect (OSTI)

    Ronan, M.T. )

    1992-02-01

    Results on measurements of the kaon content in one-prong and three-prong [tau] decays are presented for data taken by the TPC/2[gamma] detector at PEP. Using a self-consistent procedure to measure exclusive and inclusive decays, the one-prong analysis extends previous work to kaon decay modes. Three-prong results [ital K][pi][pi], [ital K][pi] and [ital KKK] decay modes provide improved branching ratios and a first look at strange axial-vector couplings in [tau] decays.

  9. PERFORMANCE OF A CONTAINMENT VESSEL CLOSURE FOR RADIOACTIVE GAS CONTENTS

    SciTech Connect (OSTI)

    Blanton, P.; Eberl, K.

    2010-07-09

    This paper presents a summary of the design and testing of the containment vessel closure for the Bulk Tritium Shipping Package (BTSP). This package is a replacement for a package that has been used to ship tritium in a variety of content configurations and forms since the early 1970s. The containment vessel closure incorporates features specifically designed for the containment of tritium when subjected to the normal and hypothetical conditions required of Type B radioactive material shipping Packages. The paper discusses functional performance of the containment vessel closure of the BTSP prototype packages and separate testing that evaluated the performance of the metallic C-Rings used in a mock BTSP closure.

  10. CHARACTERIZATION OF HYDROGEN CONTENT IN ZIRCALOY-4 NUCLEAR FUEL CLADDING

    SciTech Connect (OSTI)

    Pfeif, E. A.; Mishra, B.; Olson, D. L.; Lasseigne, A. N.; Krzywosz, K.; Mader, E. V.

    2010-02-22

    Assessment of hydrogen uptake of underwater nuclear fuel clad and component materials will enable improved monitoring of fuel health. Zirconium alloys are used in nuclear reactors as fuel cladding, fuel channels, guide tubes and spacer grids, and are available for inspection in spent fuel pools. With increasing reactor exposure zirconium alloys experience hydrogen ingress due to neutron interactions and water-side corrosion that is not easily quantified without destructive hot cell examination. Contact and non-contact nondestructive techniques, using Seebeck coefficient measurements and low frequency impedance spectroscopy, to assess the hydrogen content and hydride formation within zircaloy 4 material that are submerged to simulate spent fuel pools are presented.

  11. Definition of Small Gram Quantity Contents for Type B Radioactive Material Transportation Packages: Activity-Based Content Limitations

    SciTech Connect (OSTI)

    Sitaraman, S; Kim, S; Biswas, D; Hafner, R; Anderson, B

    2010-10-27

    Since the 1960's, the Department of Transportation Specification (DOT Spec) 6M packages have been used extensively for transportation of Type B quantities of radioactive materials between Department of Energy (DOE) facilities, laboratories, and productions sites. However, due to the advancement of packaging technology, the aging of the 6M packages, and variability in the quality of the packages, the DOT implemented a phased elimination of the 6M specification packages (and other DOT Spec packages) in favor of packages certified to meet federal performance requirements. DOT issued the final rule in the Federal Register on October 1, 2004 requiring that use of the DOT Specification 6M be discontinued as of October 1, 2008. A main driver for the change was the fact that the 6M specification packagings were not supported by a Safety Analysis Report for Packaging (SARP) that was compliant with Title 10 of the Code of Federal Regulations part 71 (10 CFR 71). Therefore, materials that would have historically been shipped in 6M packages are being identified as contents in Type B (and sometimes Type A fissile) package applications and addenda that are to be certified under the requirements of 10 CFR 71. The requirements in 10 CFR 71 include that the Safety Analysis Report for Packaging (SARP) must identify the maximum radioactivity of radioactive constituents and maximum quantities of fissile constituents (10 CFR 71.33(b)(1) and 10 CFR 71.33(b)(2)), and that the application (i.e., SARP submittal or SARP addendum) demonstrates that the external dose rate (due to the maximum radioactivity of radioactive constituents and maximum quantities of fissile constituents) on the surface of the packaging (i.e., package and contents) not exceed 200 mrem/hr (10 CFR 71.35(a), 10 CFR 71.47(a)). It has been proposed that a 'Small Gram Quantity' of radioactive material be defined, such that, when loaded in a transportation package, the dose rates at external points of an unshielded packaging

  12. Health-hazard evaluation report HETA 84-033-1576, Airco Carbon, St. Marys, Pennsylvania

    SciTech Connect (OSTI)

    Hartle, R.W.; Morawetz, J.S.

    1985-09-01

    Environmental and breathing-zone samples were analyzed for polynuclear aromatic hydrocarbons (PAH), total particulates, and respirable free silica at the Airco Company (SIC-3624), Saint Marys, Pennsylvania in January, 1984. The evaluation was requested confidentially because of concern over exposures to soot, coal tar pitch volatiles, and sand in the car bottom and sagger bake operations. Forty-three employees were interviewed. Two of 19 total particulate samples exceeded the OSHA standard of 15 milligrams per cubic meter (mg/m3), 17.3 and 32.7 mg/m3. Benzene soluble fractions ranged from 0.5 to 5.0 mg/m3. The OSHA standard for benzene soluble fractions is 0.2 mg/m3. Two of seven samples of silica were above the limit of detection, 0.09 and 0.06 mg/m3. In bulk samples, the benzene soluble fractions ranged from 0.44 to 860 mg/gram and the PAH content from 0 to 26,124 micrograms per gram. Employees working in the bake areas reported a significant excess incidence of symptoms such as skin, nose and eye irritation, cough, sore or dry throat, chest tightness, and breathing difficulty. The authors conclude that a health hazard exists at the facility. Recommendations include enclosing vehicles used in moving electrodes, cleaning up spilled dust, and controlling fumes emitted from the sagger kilns.

  13. Properties of polycyclic aromatic hydrocarbons in the northwest photon dominated region of NGC 7023. II. Traditional PAH analysis using k-means as a visualization tool

    SciTech Connect (OSTI)

    Boersma, C.; Bregman, J.; Allamandola, L. J.

    2014-11-10

    Polycyclic aromatic hydrocarbon (PAH) emission in the Spitzer-IRS spectral map of the northwest photon dominated region (PDR) in NGC 7023 is analyzed using the 'traditional' approach in which the PAH bands and plateaus between 5.2-19.5 μm are isolated by subtracting the underlying continuum and removing H{sub 2} emission lines. The spectra are organized into seven spectroscopic bins by using k-means clustering. Each cluster corresponds to, and reveals, a morphological zone within NGC 7023. The zones self-organize parallel to the well-defined PDR front that coincides with an increase in intensity of the H{sub 2} emission lines. PAH band profiles and integrated strengths are measured, classified, and mapped. The morphological zones revealed by the k-means clustering provides deeper insight into the conditions that drive variations in band strength ratios and evolution of the PAH population that otherwise would be lost. For example, certain band-band relations are bifurcated, revealing two limiting cases; one associated with the PDR, the other with the diffuse medium. Traditionally, PAH band strength ratios are used to gain insight into the properties of the emitting PAH population, i.e., charge, size, structure, and composition. Insights inferred from this work are compared and contrasted to those from Boersma et al. (first paper in this series), where the PAH emission in NGC 7023 is decomposed exclusively using the PAH spectra and tools made available through the NASA Ames PAH IR Spectroscopic Database.

  14. Immunomodulation in C57Bl/6 mice following consumption of halogenated aromatic hydrocarbon-contaminated coho salmon (Oncorhynchus kisutch) from Lake Ontario

    SciTech Connect (OSTI)

    Cleland, G.B.; McElroy, P.J.; Sonstegard, R.A. )

    1989-01-01

    This report describes studies designed to assess the immunomodulatory effects associated with the consumption of coho salmon containing halogenated aromatic hydrocarbons (HAHs) and other compounds naturally bioaccumulated from Lake Ontario. Diets containing 33% coho salmon from Lake Ontario or the Pacific Ocean were fed to juvenile C57Bl/6 mice for 2-4 mo. Following 60 d, the mice that consumed Lake Ontario salmon had reduced IgM, IgG, and IgA plaque-forming cell responses to sheep erythrocytes. No changes were observed in total numbers of spleen lymphocytes, total T-lymphocytes or T-lymphocyte subsets as determined by flow cytometry. Cellular immunity, assessed by the cytotoxic T-lymphocyte response to allogeneic tumor target cells, was not altered following dietary exposure to Lake Ontario coho salmon for 4 mo. The observed humoral immunomodulation correlated with elevated PCB levels in the Lake Ontario salmon diets. The levels of pollutants such as mercury, tin compounds and other metals, PCDDs, and PCDFs were not examined.

  15. Toxic effects in C57B1/6 and DBA/2 mice following consumption of halogenated aromatic hydrocarbon-contaminated Great Lakes coho salmon (Oncorhynchus kisutch Walbaum)

    SciTech Connect (OSTI)

    Cleland, G.B.; Leatherland, J.F.; Sonstegard, R.A.

    1987-11-01

    Diets containing coho salmon (Oncorhynchus kisutch Walbaum) from the Pacific Ocean or from Lakes Erie, Michigan, and Ontario (containing a gradation from low to high of halogenated aromatic hydrocarbons, (HAHs)) were fed to C57B1/6 and DBA/2 mice. Following a 4-month dietary exposure to Lake Ontario salmon, both strains of mice demonstrated hepatomegaly. The ethoxyresorufin-O-deethylase (ERR) enzyme levels were elevated in livers of C57B1/6 mice fed diets of salmon from all of the Great Lakes studied, with exceptionally high levels detected in C57B1/6 mice fed Lake Ontario salmon. Induction of ERR enzyme levels was detected in DBA/2 mice only following dietary exposure to Lake Ontario salmon. Serum levels of L-thyroxine (T4) and triiodo-L-thryonine (T3) were suppressed in C57B1/6 mice following consumption of Lake Ontario coho salmon, but T3 and T4 levels remained unchanged in DBA/2 mice. In general, pathobiological effects correlated with both dietary HAH exposure level and Ah receptor status.

  16. Sulfur Content, Weighted Average Refinery Crude Oil Input Qualities

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

    (Percent) Type: Sulfur Content API Gravity Period: Monthly Annual Download Series History Download Series History Definitions, Sources & Notes Definitions, Sources & Notes Show Data By: Type Area Jan-16 Feb-16 Mar-16 Apr-16 May-16 Jun-16 View History U.S. 1.43 1.38 1.43 1.39 1.43 1.47 1985-2016 PADD 1 0.75 0.63 0.83 0.88 0.90 0.86 1985-2016 East Coast 0.68 0.55 0.76 0.81 0.84 0.79 1985-2016 Appalachian No. 1 1.53 1.57 1.51 1.74 1.58 1.59 1985-2016 PADD 2 1.56 1.58 1.56 1.58 1.45 1.55

  17. Cermet anode compositions with high content alloy phase

    DOE Patents [OSTI]

    Marschman, S.C.; Davis, N.C.

    1989-10-03

    Cermet electrode compositions comprising NiO-NiFe[sub 2]O[sub 4]-Cu-Ni, and methods for making, are disclosed. Addition of nickel metal prior to formation and densification of a base mixture into the cermet allows for an increase in the total amount of copper and nickel that can be contained in the NiO-NiFe[sub 2]O[sub 4] oxide system. Nickel is present in a base mixture weight concentration of from 0.1% to 10%. Copper is present in the alloy phase in a weight concentration of from 10% to 30% of the densified composition. Such cermet electrodes can be formed to have electrical conductivities well in excess of 100 ohm[sup [minus]1] cm[sup [minus]1]. Other alloy and oxide system cermets having high content metal phases are also expected to be manufacturable in accordance with the invention.

  18. Cermet anode compositions with high content alloy phase

    DOE Patents [OSTI]

    Marschman, Steven C.; Davis, Norman C.

    1989-01-01

    Cermet electrode compositions comprising NiO-NiFe.sub.2 O.sub.4 -Cu-Ni, and methods for making, are disclosed. Addition of nickel metal prior to formation and densification of a base mixture into the cermet allows for an increase in the total amount of copper and nickel that can be contained in the NiO-NiFe.sub.2 O.sub.4 oxide system. Nickel is present in a base mixture weight concentration of from 0.1% to 10%. Copper is present in the alloy phase in a weight concentration of from 10% to 30% of the densified composition. Such cermet electrodes can be formed to have electrical conductivities well in excess of 100 ohm.sup.-1 cm.sup.-1. Other alloy and oxide system cermets having high content metal phases are also expected to be manufacturable in accordance with the invention.

  19. Immunoassay panel profile for detecting total PCB content

    SciTech Connect (OSTI)

    Friedman, S.; Allen, R.; Gui, J.; Barren, E.; Berdahl, D.

    1995-12-31

    Immunoassay test kits are being widely used to provide rapid, inexpensive screening of soil samples for the presence of PCBs at or above a given threshold value. Currently available immunoassay methods are sensitive to aroclor preparations that contain the more highly chlorinated PCB congeners. The interpretation of these tests is accomplished by comparison to an appropriate aroclor standard. If PCB contamination at a site has undergone significant changes through weathering or biological degradation, or if contamination has occurred from lower chlorinated species, the relative sensitivity of available test methods is reduced. This paper describes the results of a program to develop and demonstrate an Immunoassay Panel Method that normalizes the recovery of PCBs detected and thereby provides an accurate representation of the total PCB content of a sample. The development and validation of this method, and the associative correlation testing data using laboratory and environmental samples, will be discussed.

  20. Computer Modeling of Violent Intent: A Content Analysis Approach

    SciTech Connect (OSTI)

    Sanfilippo, Antonio P.; Mcgrath, Liam R.; Bell, Eric B.

    2014-01-03

    We present a computational approach to modeling the intent of a communication source representing a group or an individual to engage in violent behavior. Our aim is to identify and rank aspects of radical rhetoric that are endogenously related to violent intent to predict the potential for violence as encoded in written or spoken language. We use correlations between contentious rhetoric and the propensity for violent behavior found in documents from radical terrorist and non-terrorist groups and individuals to train and evaluate models of violent intent. We then apply these models to unseen instances of linguistic behavior to detect signs of contention that have a positive correlation with violent intent factors. Of particular interest is the application of violent intent models to social media, such as Twitter, that have proved to serve as effective channels in furthering sociopolitical change.