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Sample records for min max aromatics

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

    for 12 hours | Department of Energy Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and at Min Load for 12 hours Mirant: Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and at Min Load for 12 hours Docket No. EO-05-01. Mirant: Case 67a: Units 3 & 4 & 5 at Max Load for 12 hours and at Min Load for 12 hours. Arial photograph showing plant and location of predicted SO2 violations, predicted in 2000. PDF icon Mirant: Case 67a: Units 3 & 4 & 5 at Max Load for

  4. Max Schulze

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

    Today, he is a three-time unicycling world champion, with world wins in New Zealand in 2010, Italy in 2012 and Canada in 2014. June 9, 2015 Max Schulze Max Schulze "I really thrive ...

  5. Min Zhang | Bioenergy | NREL

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

    Min Zhang Min Zhang Scientist V Min.Zhang@nrel.gov | 303-384-7753 Research Interests Using a systems biology approach to identify, analyze, and engineer pathways involved in bacterial, yeast, and fungal hydrocarbon and biochemical production Biological upgrading of sugars Directed microbial conversion/consolidated bioprocessing Pentose sugar utilization Hydrolysate toxicity Affiliated Research Programs Anaerobic Hydrocarbon Intermediates from Zymomonas mobilis (PI) Targeted Microbial

  6. min-98.pdf

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

    Comparison of Model-Predicted Total Shortwave with Measurements Under Overcast Cloud Conditions Q. Min and L. C. Harrison Atmospheric Sciences Research Center State University of New York at Albany Albany, New York Abstract We use surface measurements at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site made with the multifilter rotating shadowband radiometer (MFRSR) and microwave radiometer (MWR) to obtain time-series of cloud optical depths and mean effective droplet

  7. min-99.PDF

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

    Joint Statistics of Photon Pathlength and Cloud Optical Depth Q.-L. Min and L. C. Harrison Atmospheric Sciences Research Center State University of New York Albany, New York Abstract A mean pressure- and temperature-weighted photon pathlength in the atmosphere can be inferred from moderate resolution measurements in the O 2 A-band. We show a pathlength retrieval method and calibration results for measurements from a Rotating Shadowband Spectroradiometer (RSS), and present the joint statistics of

  8. Min Chen | Photosynthetic Antenna Research Center

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

    Min Chen Min Chen Min Chen Min Chen Research Affiliate E-mail: min.chen@sydney.edu.au Phone: +61 2 9036 5006 Fax: +61 2 9351 4119 Website: University of Sydney Research Affiliate...

  9. Summary Max Total Units

    Energy Savers [EERE]

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

  10. ARM - VAP Product - mfrsrcldod1min

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

    Productsmfrsrcldodmfrsrcldod1min Documentation Technical Report Data Management Facility Plots (Quick Looks) Citation DOI: 10.54391027296 What is this? Generate Citation ARM ...

  11. Xiao-Min Lin | Argonne National Laboratory

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

    Xiao-Min Lin Scientist & Joint Staff, James Franck Institute, University of Chicago Postdoc, James Franck Institute, University of Chicago (2000-2002) Ph.D. Condensed Matter...

  12. Max Ambiental S A | Open Energy Information

    Open Energy Info (EERE)

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

  13. MaxWest Environmental Systems | Open Energy Information

    Open Energy Info (EERE)

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

  14. 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.

  15. ARM: Temperature Profiles from Raman Lidar at 60-min averaging...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: ARM: Temperature Profiles from Raman Lidar at 60-min averaging interval Temperature Profiles from Raman Lidar at 60-min averaging ...

  16. ARM: Temperature Profiles from Raman Lidar at 10-min averaging...

    Office of Scientific and Technical Information (OSTI)

    Temperature Profiles from Raman Lidar at 10-min averaging interval Title: ARM: Temperature Profiles from Raman Lidar at 10-min averaging interval Temperature Profiles from Raman ...

  17. SolarMax Inc | Open Energy Information

    Open Energy Info (EERE)

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

  18. max kwh | OpenEI Community

    Open Energy Info (EERE)

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

  19. Max Tech and Beyond Design Competition

    Broader source: Energy.gov [DOE]

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

  20. MinWind I & II Wind Farm | Open Energy Information

    Open Energy Info (EERE)

    I & II Wind Farm Jump to: navigation, search Name MinWind I & II Wind Farm Facility MinWind I & II Sector Wind energy Facility Type Commercial Scale Wind Facility Status In Service...

  1. Min-kota Fisheries Aquaculture Low Temperature Geothermal Facility...

    Open Energy Info (EERE)

    Facility Min-kota Fisheries Sector Geothermal energy Type Aquaculture Location Philip, South Dakota Coordinates 44.0394329, -101.6651441 Show Map Loading map......

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

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

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

  3. Neutron Damage and MAX Phase Ternary Compounds

    SciTech Connect (OSTI)

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

    2014-06-17

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

  4. 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.

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

    Broader source: Energy.gov [DOE]

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

  6. Max Tech and Beyond: High-Intensity Discharge Lamps (Technical...

    Office of Scientific and Technical Information (OSTI)

    High-Intensity Discharge Lamps Citation Details In-Document Search Title: Max Tech and ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  7. DOE - Office of Legacy Management -- Max Zuckerman and Sons Inc...

    Office of Legacy Management (LM)

    Inc - MD 04 FUSRAP Considered Sites Site: MAX ZUCKERMAN & SONS, INC. (MD.04 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: Maryland...

  8. DOE - Office of Legacy Management -- Max Zuckerman and Sons ...

    Office of Legacy Management (LM)

    - IL 30 FUSRAP Considered Sites Site: MAX ZUCKERMAN & SONS (IL.30 ) Eliminated from consideration under FUSRAP Designated Name: Not Designated Alternate Name: None Location: 1925...

  9. SolarMax Technology Inc | Open Energy Information

    Open Energy Info (EERE)

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

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

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

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

  11. Subkilovolt response of Kodak T max XUV film

    SciTech Connect (OSTI)

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

    1990-02-08

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

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

    Open Energy Info (EERE)

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

  13. The Max Tech and Beyond Competition | Department of Energy

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

    The Max Tech and Beyond Competition The Max Tech and Beyond Competition Addthis 1 of 5 Team Cal Poly Solar is working to significantly reduce the cost and construction time on their solar concentrator for cooking. Image: Lawrence Berkeley National Laboratory 2 of 5 Professor Dale Dolan's students from California Polytechnic State University San Luis Obispo Electrical Engineering department testing the placement of their Hybrid Solar Photovoltaic Panel for Pool Heating. Image: Lawrence Berkeley

  14. 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.

  15. 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.

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

    Office of Scientific and Technical Information (OSTI)

    catalysts for the hydrogenation of monocyclic aromatic hydrocarbons under mild conditions. ... NAPHTHALENE; CHRYSENE; ORGANOMETALLIC COMPOUNDS; CATALYTIC EFFECTS; RHODIUM COMPOUNDS; ...

  17. The interactional foundations of MaxEnt: Open questions

    SciTech Connect (OSTI)

    Harr, Michael S.

    2014-12-05

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

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

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

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

  19. ARM: Broadband Radiometer Station (BRS) broadband shortwave and longwave 1-min radiation data with Dutton correction

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

    Laura Riihimaki

    1993-09-01

    Broadband Radiometer Station (BRS) broadband shortwave and longwave 1-min radiation data with Dutton correction

  20. ARM: Broadband Radiometer Station (BRS) broadband shortwave and longwave 1-min radiation data with Dutton correction

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

    Laura Riihimaki

    Broadband Radiometer Station (BRS) broadband shortwave and longwave 1-min radiation data with Dutton correction

  1. 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.

  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. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.g., furan forms CO and allene), oligomerization (allene forms olefins and aromatics plus hydrogen), and alkylation (e.g., furan plus olefins). The product distribution was far from thermodynamic equilibrium.

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

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

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

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

    SciTech Connect (OSTI)

    2010-11-19

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

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. Spin chains and Arnold's problem on the Gauss-Kuz'min statistics for quadratic irrationals

    SciTech Connect (OSTI)

    Ustinov, Alexey V

    2013-05-31

    New results related to number theoretic model of spin chains are proved. We solve Arnold's problem on the Gauss-Kuz'min statistics for quadratic irrationals. Bibliography: 24 titles.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. NREL's Min Zhang Keeps Her "Bugs" Happy, Leading to Biofuel Breakthroughs -

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

    News Feature | NREL Min Zhang Keeps Her "Bugs" Happy, Leading to Biofuel Breakthroughs December 9, 2015 Photo of a woman in a lab looking at two vials. NREL Senior Scientist Min Zhang examines test tubes growing Zymomonas mobilis cells in the Molecular Biology Lab. Of Zhang's 80 peer-reviewed papers and 21 U.S. patents in the field of biochemistry and biofuels, many reference this sugar-eating "bug." Photo by Dennis Schroeder National Renewable Energy Laboratory (NREL)

  5. AtMIN7 mediated disease resistance to Pseudomonas syringae in Arabidopsis

    DOE Patents [OSTI]

    He, Sheng Yang; Nomura, Kinya

    2011-07-26

    The present invention relates to compositions and methods for enhancing plant defenses against pathogens. More particularly, the invention relates to enhancing plant immunity against bacterial pathogens, wherein AtMIN7 mediated protection is enhanced and/or there is a decrease in activity of an AtMIN7 associated virulence protein such as a Pseudomonas syringae pv. tomato DC3000 HopM1. Reagents of the present invention provide a means of studying cellular trafficking while formulations of the present inventions provide increased pathogen resistance in plants.

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

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

    max walltime for low queue is increased to 24 hrs on Hopper max walltime for low queue is increased to 24 hrs on Hopper May 31, 2012 by Helen He We have increased the max walltime for the low queue on Hopper from 12 to 24 hrs. Subscribe via RSS Subscribe Browse by Date February 2013 September 2012 August 2012 May 2012 April 2012 March 2012 February 2012 January 2012 November 2011 October 2011 September 2011 August 2011 July 2011 June 2011 May 2011 April 2011 March 2011 February 2011 January 2011

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

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

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

  8. DOE/SC-ARM/TR-112 Changes to MFRSRCLDOD1MIN Datastream S McFarlane

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

    2 Changes to MFRSRCLDOD1MIN Datastream S McFarlane Y Shi May 2012 DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

  13. 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.

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

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

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

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

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

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

  16. THE MASS-RICHNESS RELATION OF MaxBCG CLUSTERS FROM QUASAR LENSING

    Office of Scientific and Technical Information (OSTI)

    MAGNIFICATION USING VARIABILITY (Journal Article) | SciTech Connect THE MASS-RICHNESS RELATION OF MaxBCG CLUSTERS FROM QUASAR LENSING MAGNIFICATION USING VARIABILITY Citation Details In-Document Search Title: THE MASS-RICHNESS RELATION OF MaxBCG CLUSTERS FROM QUASAR LENSING MAGNIFICATION USING VARIABILITY Accurate measurement of galaxy cluster masses is an essential component not only in studies of cluster physics but also for probes of cosmology. However, different mass measurement

  17. 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.

  18. 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.

  19. 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.

  20. Device for aqueous detection of nitro-aromatic compounds

    DOE Patents [OSTI]

    Reagen, William K. (Stillwater, MN); Schulz, Amber L. (Bremerton, WA); Ingram, Jani C. (Idaho Falls, ID); Lancaster, Gregory D. (Idaho Falls, ID); Grey, Alan E. (Idaho Falls, ID)

    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.

  1. 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.

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

    SciTech Connect (OSTI)

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

    2015-01-12

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

  3. Laboratory Investigation of Organic Aerosol Formation from Aromatic Hydrocarbons

    DOE R&D Accomplishments [OSTI]

    Molina, Luisa T.; Molina, Mario J.; Zhang, Renyi

    2006-08-23

    Our work for this DOE funded project includes: (1) measurements of the kinetics and mechanism of the gas-phase oxidation reactions of the aromatic hydrocarbons initiated by OH; (2) measurements of aerosol formation from the aromatic hydrocarbons; and (3) theoretical studies to elucidate the OH-toluene reaction mechanism using quantum-chemical and rate theories.

  4. 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.

  5. ~max0006

    National Nuclear Security Administration (NNSA)

    MANUAL Approved: 10-1 7-08 NNSA Line Oversight and Contractor Assurance System Supplemental Directive U.S. DEPARTMENT OF ENERGY National Nuclear Security Administration AVAILABLE ONLINE AT: Iink to NNSA Policicsisupplementa1 directives This page is intentionally blank. NNSA LINE OVERSIGHT AND CONTRACTOR ASSUWNCE SYSTEM SUPPLEMENTAL DIRECTIVE 1. PURPOSE. 'The Line Oversight and Contractor Assurance System (1,OCAS) is the National Nuclear Security Administration (NSSA) management system that

  6. Max Schulze

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

    Today, he is a three-time unicycling world champion, with world wins in New Zealand in 2010, Italy in 2012 and Canada in 2014. "My main competitive unicycling event is 'trials,'" ...

  7. Max Tech and Beyond: Fluorescent Lamps (Technical Report) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Fluorescent Lamps Citation Details In-Document Search Title: Max Tech and Beyond: Fluorescent Lamps Fluorescent lamps are the most widely used artificial light source today, responsible for approximately 70% of the lumens delivered to our living spaces globally. The technology was originally commercialized in the 1930's, and manufacturers have been steadily improving the efficacy of these lamps over the years through modifications to the phosphors, cathodes, fill-gas, operating frequency, tube

  8. Max Tech and Beyond: Fluorescent Lamps (Technical Report) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Fluorescent Lamps Citation Details In-Document Search Title: Max Tech and Beyond: Fluorescent Lamps × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service. Visit OSTI to utilize additional information resources in energy science and technology. A paper copy of this document is also available for sale to the public from the National Technical

  9. Max Tech and Beyond: High-Intensity Discharge Lamps (Technical Report) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect High-Intensity Discharge Lamps Citation Details In-Document Search Title: Max Tech and Beyond: High-Intensity Discharge Lamps High-intensity discharge (HID) lamps are most often found in industrial and commercial applications, and are the light source of choice in street and area lighting, and sports stadium illumination. HID lamps are produced in three types - mercury vapor (MV), high pressure sodium (HPS) and metal halide (MH). Of these, MV and MH are considered white-light

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

    SciTech Connect (OSTI)

    Desroches, Louis-Benoit; Garbesi, Karina

    2011-07-20

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

  11. University of Delaware | Catalysis Center for Energy Innovation | Aromatics

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

    Research Thrust Green Aromatics Transition state for the Diels-Alder reaction of 2,5-dimethylfuran and ethylene in zeolite LiY Most polymers and plastics require six-carbon ring structures. Sugars (such as glucose and xylose) derived from cellulose and hemicellulose are converted into five-atom ring structures called furans, which consist of four carbons and one oxygen. In order to make the right carbon atom ring, CCEI has introduced technology for the production of aromatics from furans by

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

    SciTech Connect (OSTI)

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

    2015-10-19

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

  13. 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.

  14. 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.

  15. 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.

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

    SciTech Connect (OSTI)

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

    2006-09-15

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

  17. 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 attributed to patterns determining the origin of the air masses sampled. Aromatic hydrocarbon concentrations were in general significantly higher in air masses that passed over anthropocentrically impacted regions. Interspecies correlations and ratios gave some indications of the possible sources for the different aromatic hydrocarbons in the source regions defined in the paper. The highest contribution of aromatic hydrocarbon concentrations to ozone formation potential was also observed in plumes passing over anthropocentrically impacted regions.

  18. 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.

  19. 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).

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

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

    SciTech Connect (OSTI)

    Puttagunta, Srikanth; Shapiro, Carl

    2012-04-01

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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. Lack of anti-tumor activity with the ?-catenin expression inhibitor EZN-3892 in the C57BL/6J Min/+ model of intestinal carcinogenesis

    SciTech Connect (OSTI)

    Hasson, Rian M.; Briggs, Alexandra; Rizvi, Hira; Carothers, Adelaide M.; Davids, Jennifer S.; Bertagnolli, Monica M.; Cho, Nancy L.

    2014-02-14

    Highlights: Wnt/?-catenin signaling is aberrantly activated in most colorectal cancers. Locked nucleic acid (LNA)-based antisense is a novel tool for cancer therapy. ?-Catenin inhibition was observed in mature intestinal tissue of LNA-treated mice. Further investigation of Wnt/?-catenin targeted therapies is warranted. - Abstract: Background: Previously, we showed that short-term inhibition of ?-catenin expression and reversal of aberrant ?-catenin subcellular localization by the selective COX-2 inhibitor celecoxib is associated with adenoma regression in the C57BL/6J Min/+ mouse. Conversly, long-term administration resulted in tumor resistance, leading us to investigate alternative methods for selective ?-catenin chemoprevention. In this study, we hypothesized that disruption of ?-catenin expression by EZN-3892, a selective locked nucleic acid (LNA)-based ?-catenin inhibitor, would counteract the tumorigenic effect of Apc loss in Min/+ adenomas while preserving normal intestinal function. Materials and methods: C57BL/6J Apc{sup +/+} wild-type (WT) and Min/+ mice were treated with the maximum tolerated dose (MTD) of EZN-3892 (30 mg/kg). Drug effect on tumor numbers, ?-catenin protein expression, and nuclear ?-catenin localization were determined. Results: Although the tumor phenotype and ?-catenin nuclear localization in Min/+ mice did not change following drug administration, we observed a decrease in ?-catenin expression levels in the mature intestinal tissue of treated Min/+ and WT mice, providing proof of principle regarding successful delivery of the LNA-based antisense vehicle. Higher doses of EZN-3892 resulted in fatal outcomes in Min/+ mice, likely due to ?-catenin ablation in the intestinal tissue and loss of function. Conclusions: Our data support the critical role of Wnt/?-catenin signaling in maintaining intestinal homeostasis and highlight the challenges of effective drug delivery to target disease without permanent toxicity to normal cellular function.

  12. Fast-ion transport in q{sub min}>2, high-β steady-state scenarios on DIII-D

    SciTech Connect (OSTI)

    Holcomb, C. T.; Heidbrink, W. W.; Collins, C.; Ferron, J. R.; Van Zeeland, M. A.; Garofalo, A. M.; Bass, E. M.; Luce, T. C.; Pace, D. C.; Solomon, W. M.; Mueller, D.; Grierson, B.; Podesta, M.; Gong, X.; Ren, Q.; Park, J. M.; Kim, K.; Turco, F.

    2015-05-15

    Results from experiments on DIII-D [J. L. Luxon, Fusion Sci. Technol. 48, 828 (2005)] aimed at developing high β steady-state operating scenarios with high-q{sub min} confirm that fast-ion transport is a critical issue for advanced tokamak development using neutral beam injection current drive. In DIII-D, greater than 11 MW of neutral beam heating power is applied with the intent of maximizing β{sub N} and the noninductive current drive. However, in scenarios with q{sub min}>2 that target the typical range of q{sub 95}= 5–7 used in next-step steady-state reactor models, Alfvén eigenmodes cause greater fast-ion transport than classical models predict. This enhanced transport reduces the absorbed neutral beam heating power and current drive and limits the achievable β{sub N}. In contrast, similar plasmas except with q{sub min} just above 1 have approximately classical fast-ion transport. Experiments that take q{sub min}>3 plasmas to higher β{sub P} with q{sub 95}= 11–12 for testing long pulse operation exhibit regimes of better than expected thermal confinement. Compared to the standard high-q{sub min} scenario, the high β{sub P} cases have shorter slowing-down time and lower ∇β{sub fast}, and this reduces the drive for Alfvénic modes, yielding nearly classical fast-ion transport, high values of normalized confinement, β{sub N}, and noninductive current fraction. These results suggest DIII-D might obtain better performance in lower-q{sub 95}, high-q{sub min} plasmas using broader neutral beam heating profiles and increased direct electron heating power to lower the drive for Alfvén eigenmodes.

  13. 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 biofuels production.

  14. Polycyclic aromatic hydrocarbon and mid-infrared continuum emission in a z

    Office of Scientific and Technical Information (OSTI)

    > 4 submillimeter galaxy (Journal Article) | SciTech Connect Polycyclic aromatic hydrocarbon and mid-infrared continuum emission in a z > 4 submillimeter galaxy Citation Details In-Document Search Title: Polycyclic aromatic hydrocarbon and mid-infrared continuum emission in a z > 4 submillimeter galaxy 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

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

    SciTech Connect (OSTI)

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

    2013-07-10

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

  16. 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.

  17. 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.

  18. 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.

  19. 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,

  20. 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.

  1. via Spence St 39 min

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

    verification Nuclear Verification Challenge: Maintain the U.S. ability to monitor and verify nuclear reduction agreements and detect violations of treaties and other nuclear nonproliferation commitments. Solution: Develop and deploy measures to ensure verifiable compliance with treaties and other international agreements,... International Nuclear Safeguards Challenge: Detect/deter undeclared nuclear materials and activities. Solution: Build capacity of the International Atomic Energy Agency and

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

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

    SciTech Connect (OSTI)

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

    1999-07-01

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

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

    SciTech Connect (OSTI)

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

    2004-05-12

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

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

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

    SciTech Connect (OSTI)

    Arsene, Nicusor; Sima, Octavian

    2015-02-24

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

  15. 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.

  16. 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.

  17. 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)

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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 per million (ppm). The possible factors contributing to the differences in LLD for these analytes are discussed. This is the final report for a Sandia National Laboratories Laboratory Directed Research and Development (LDRD) project conducted during fiscal years 1998 and 1999 (case number 3518.190).

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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 changes induced by developmental exposure to PAHs Determined PAH body burdens following developmental exposure Genes uniquely induced by benz(a)anthracene included targets of the AHR and RELA Dibenzothiophene and pyrene perturbed a distinct RELA network Transcriptional networks reveal differential mechanisms of PAH toxicity.

  4. 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.

  5. 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.

  6. The bonding, charge distribution, spin ordering, optical, and elastic properties of four MAX phases Cr{sub 2}AX (A = Al or Ge, X = C or N): From density functional theory study

    SciTech Connect (OSTI)

    Li, Neng; Mo, Yuxiang; Ching, Wai-Yim

    2013-11-14

    In this work, we assess a full spectrum of properties (chemical bonding, charge distribution, spin ordering, optical, and elastic properties) of Cr{sub 2}AC (A = Al, Ge) and their hypothetical nitride counterparts Cr{sub 2}AN (A = Al, Ge) based on density functional theory calculations. The calculated total energy values indicate that a variety of spin ordering of these four compounds depending on interlayer-interactions between M-A and M-X within the sublattice, which is supported by bonding analysis. MAX phase materials are discovered to possess exotic magnetic properties which indicates that these materials could serve as promising candidates for novel layered magnetic materials for various electronic and spintronic applications. Further analysis of optical properties for two polarization vectors of Cr{sub 2}AX shows that the reflectivity is high in the visible-ultraviolet region up to ∼15 eV suggesting Cr{sub 2}AX as a promising candidate for use as a coating material. The elastic coefficients (C{sub ij}) and bulk mechanical properties [bulk modulus (K), shear modulus (G), Young's modulus (E), Poisson's ratio (η), and Pugh ratio (G/K)] of these four Cr{sub 2}AX compounds are also calculated and analyzed, which pave the way to predict or design new MAX phases that are less brittle or tougher by having a lower G/K value or higher η.

  7. 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 higher order biological effects, e.g. toxicity, lesions, reproductive failure.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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)

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. zeolite-membranes-min | netl.doe.gov

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

    The University of Minnesota is developing a technically and economically viable membrane ... Presented by Aparna Iyer, University of Minnesota, 2014 NETL CO2 Capture Technology ...

  20. SECTION J, APPENDIX Q - MIN STDS FOR CONTRACTORS' COI PLANS

    National Nuclear Security Administration (NNSA)

    Q, Page 1 SECTION J APPENDIX Q [Note: The Contractors' Conflict of Interest Plan shall be submitted to the Contracting Officer during the Transition Term prior to December 31, 2010.] MINIMUM STANDARDS FOR CONTRACTORS' CONFLICT OF INTEREST (COI) PLANS 12/1/10 A. Corporate Structure The COI Plan shall describe any parent relationship and list all affiliates, subsidiaries, and sister companies, etc. Generally, this need not exceed three corporate tiers, unless a relationship exists beyond three

  1. Property:Incentive/TechMin | Open Energy Information

    Open Energy Info (EERE)

    Standard (West Virginia) + At least 90% must come from eligible resources other than natural gas C City of Austin - Renewables Portfolio Standard (Texas) + 200 MW from solar by...

  2. MIN IMI IlI New Data Series

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

    Change, Petroleum Products Supplied, and Ending Stocks ... 40 3.1b Imports, Exports, and Net Imports ... 41 3.2 Crude Oil Supply and...

  3. Microsoft Word - UEC-CC_020315_min_TEH.docx

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

    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Vivek Prabhu (NIST) CNMS...

  4. Microsoft Word - UEC-CC_120314_min_TEH.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Tony Hmelo (Vanderbilt U.) CNMS...

  5. Microsoft Word - UEC-CC_040715_min_TEH.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Vivek Prabhu (NIST) CNMS...

  6. Microsoft Word - UEC-CC_010615_min.docx

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

    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Vivek Prabhu (NIST) CNMS...

  7. Microsoft Word - UEC-CC_100215_min_TEH.docx

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

    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Vivek Prabhu (NIST) CNMS...

  8. Microsoft Word - UEC-CC_060414_min_TEH.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Tony Hmelo (Vanderbilt U.) CNMS...

  9. Microsoft Word - UEC-CC_030514_min.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Tony Hmelo (Vanderbilt U.) CNMS...

  10. Microsoft Word - UEC-CC_050515_min_TEH.docx

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

    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Vivek Prabhu (NIST) CNMS...

  11. Microsoft Word - UEC-CC_040214_min_TEH.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Tony Hmelo (Vanderbilt U.) CNMS...

  12. Microsoft Word - UEC-CC_050714_min_TEH.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Tony Hmelo (Vanderbilt U.) CNMS...

  13. Microsoft Word - UEC-CC_080415_min_TEH.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Vivek Prabhu (NIST) CNMS...

  14. Microsoft Word - UEC-CC_030315_min_TEH.docx

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

    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Vivek Prabhu (NIST) CNMS...

  15. Microsoft Word - UEC-CC_120415_min_teh.docx

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

    members: Vivek, Milan, Zheng, Martyn, Ray * 2015 User Satisfaction Survey (Eric with Rafael, Milan) o Draft of UEC summary for triennial review and recommendations was...

  16. Microsoft Word - UEC-CC_111714_min.docx

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    (Imperial College, London); Megan Robertson (U. Houston); Ray Unocic (ORNLCNMS); Rafael Verduzco (Rice U.) Past Chair, ex officio member - Tony Hmelo (Vanderbilt U.) CNMS...

  17. Microsoft Word - EM SSAB Fall 2010 Mtg Min.FINAL

    Office of Environmental Management (EM)

    La Fonda on the Plaza Hotel 100 East San Francisco Street * Santa Fe, NM 87501 September 15-16, 2010 Environmental Management Site-Specific Advisory Board Chairs' Meeting Minutes September 15-16, 2010 LIST OF ACRONYMS ARRA - American Recovery and Reinvestment Act CD-1 - Critical Decision One CERCLA - Comprehensive Environmental Response, Compensation, and Liability Act CFO - Chief Financial Officer CR - Continuing Resolution CPR - Construction Project Review D&D - Decontamination &

  18. Microsoft Word - EM SSAB Spring 2010 Mtg Min.063010

    Office of Environmental Management (EM)

    Double Tree Hotel 215 South Illinois Avenue * Oak Ridge, TN 37830 April 28-29, 2010 2 Environmental Management Site-Specific Advisory Board Chairs' Meeting Minutes, April 28-29, 2010 LIST OF ACRONYMS ARRA - American Recovery and Reinvestment Act CERCLA - Comprehensive Environmental Response, Compensation, and Liability Act CFO - Chief Financial Officer CPR - Construction Project Review D&D - Decontamination & Decommissioning DAS - Deputy Assistant Secretary DDFO - Deputy Designated

  19. MaxPower Inc | Open Energy Information

    Open Energy Info (EERE)

    Product: Pennsylvania-based firm offering research, development and production of lithium ion batteries. Coordinates: 40.281201, -75.393534 Show Map Loading map......

  20. T10K Change Max Capacity

    Energy Science and Technology Software Center (OSTI)

    2013-08-16

    This command line utility will enable/disable the Oracle StorageTek T10000 tape drive's maximum capacity feature.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Microsoft Word - exposure_request_form.dot

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

    (torr) Proximity Gap: (m) Min. Bottom Dose: (Jcm3) Max. Ratio of Top to Bottom Dose: Scan Length: (cm or inch)...

  6. A 700 year sediment record of black carbon and polycyclic aromatic hydrocarbons near the EMEP air monitoring station in Aspvreten, Sweden

    SciTech Connect (OSTI)

    Marie Elmquist; Zdenek Zencak; Oerjan Gustafsson

    2007-10-15

    In view of poor constraints on historical combustion emissions, past environmental loadings of black carbon (BC) and polycyclic aromatic hydrocarbon (PAH) were reconstructed from dated lake sediment cores collected 70 km south of Stockholm, Sweden. Compared to several dramatic variations over the recent 150 years, the preindustrial loadings were steady within {+-}50% through the entire medieval with BC fluxes of 0.071 g m{sup -2} yr{sup -1} and PAH fluxes of 6 g m{sup -2} yr{sup -1}. In the wood-burning dominated century leading up to the industrial revolution around 1850, increasing BC fluxes were leading PAH fluxes. BC fluxes reached their millennial-scale maximum around 1920, whereas PAH fluxes increased exponentially to its record maximum around 1960, 50-fold above preindustrial values. For 1920-1950, BC fluxes consistently decreased as PAH fluxes kept increasing. Coal and coke represented >50% of the Swedish energy market in the 1930s. Combined with sharply decreasing (1,7-)/(1,7{+-}2,6-dimethylphenanthrene), indicative of diminishing wood combustion, and decreasing methylphenanthrenes/phenanthrene, indicative of higher-temperature combustion (coal instead of wood), the sediment archive suggests that the relative BC/PAH emission factors thus are lower for coal than for wood combustion. For the first time, both BC and PAH fluxes decreased after 1960. This trend break is a testament to the positive effects of decreasing reliance on petroleum fuels and a number of legislative actions aimed at curbing emissions and by 1990, the loading of BC was back at preindustrial levels, whereas that of PAH were the lowest since the 1910s. However, for the most recent period (1990-2004) the BC and PAH fluxes are no longer decreasing. 55 refs., 3 figs.

  7. Application of a fuzzy neural network model in predicting polycyclic aromatic hydrocarbon-mediated perturbations of the Cyp1b1 transcriptional regulatory network in mouse skin

    SciTech Connect (OSTI)

    Larkin, Andrew; Siddens, Lisbeth K.; Krueger, Sharon K.; Tilton, Susan C.; Waters, Katrina M.; Williams, David E.; Baird, William M.

    2013-03-01

    Polycyclic aromatic hydrocarbons (PAHs) are present in the environment as complex mixtures with components that have diverse carcinogenic potencies and mostly unknown interactive effects. Non-additive PAH interactions have been observed in regulation of cytochrome P450 (CYP) gene expression in the CYP1 family. To better understand and predict biological effects of complex mixtures, such as environmental PAHs, an 11 gene input-1 gene output fuzzy neural network (FNN) was developed for predicting PAH-mediated perturbations of dermal Cyp1b1 transcription in mice. Input values were generalized using fuzzy logic into low, medium, and high fuzzy subsets, and sorted using k-means clustering to create Mamdani logic functions for predicting Cyp1b1 mRNA expression. Model testing was performed with data from microarray analysis of skin samples from FVB/N mice treated with toluene (vehicle control), dibenzo[def,p]chrysene (DBC), benzo[a]pyrene (BaP), or 1 of 3 combinations of diesel particulate extract (DPE), coal tar extract (CTE) and cigarette smoke condensate (CSC) using leave-one-out cross-validation. Predictions were within 1 log{sub 2} fold change unit of microarray data, with the exception of the DBC treatment group, where the unexpected down-regulation of Cyp1b1 expression was predicted but did not reach statistical significance on the microarrays. Adding CTE to DPE was predicted to increase Cyp1b1 expression, whereas adding CSC to CTE and DPE was predicted to have no effect, in agreement with microarray results. The aryl hydrocarbon receptor repressor (Ahrr) was determined to be the most significant input variable for model predictions using back-propagation and normalization of FNN weights. - Highlights: ? Tested a model to predict PAH mixture-mediated changes in Cyp1b1 expression ? Quantitative predictions in agreement with microarrays for Cyp1b1 induction ? Unexpected difference in expression between DBC and other treatments predicted ? Model predictions for combining PAH mixtures in agreement with microarrays ? Predictions highly dependent on aryl hydrocarbon receptor repressor expression.

  8. Three tetranuclear copper(II) cluster-based complexes constructed from 4-amino-1,2,4-triazole and different aromatic carboxylates: Assembly, structures, electrochemical and magnetic properties

    SciTech Connect (OSTI)

    Wang, Xiu-Li; Zhao, Wei; Zhang, Ju-Wen; Lu, Qi-Lin

    2013-02-15

    Three new tetranuclear copper(II) cluster-based complexes constructed from 4-amino-1,2,4-triazole (atrz) and three types of aromatic carboxylates, [Cu{sub 4}({mu}{sub 3}-OH){sub 2}(atrz){sub 2}(DNBA){sub 6}] (1), [Cu{sub 4}({mu}{sub 3}-OH){sub 2}(atrz){sub 2}(1,3-BDC){sub 3}]{center_dot}2H{sub 2}O (2) and [Cu{sub 4}({mu}{sub 3}-OH){sub 2}(atrz){sub 2}(SIP){sub 2}]{center_dot}4H{sub 2}O (3) (HDNBA=3,5-dinitrobenzoic acid, 1,3-H{sub 2}BDC=1,3-benzenedicarboxylic acid and NaH{sub 2}SIP=sodium 5-sulfoisophthalate), have been hydrothermally synthesized and structurally characterized. Complex 1 displays a single-molecular Cu{sup II}{sub 4} cluster structure, which is further connected by the intermolecular hydrogen-bonding interactions to form a 2D supramolecular layer. In 2, there also exist tetranuclear Cu{sup II}{sub 4} clusters, which are linked by the 1,3-BDC anions to give a 3D NaCl-type framework. In 3, the Cu{sup II}{sub 4} clusters are connected by the carboxyl and sulfo groups of SIP anions to generate 3D (4,8)-connected framework with a (4{sup 10}{center_dot}6{sup 14}{center_dot}8{sup 4})(4{sup 5}{center_dot}6){sub 2} topology. The atrz ligand conduces to the construction of tetranuclear copper(II) clusters and the carboxylates with different non-carboxyl substituent show important effects on the final structures of the title complexes. The electrochemical and magnetic properties of 1-3 have been investigated. - Graphical abstract: Three tetranuclear copper(II) cluster-based complexes based on different carboxylates have been synthesized under hydrothermal conditions. The carboxylate anions play a key role in the formation of three different structures. Highlights: Black-Right-Pointing-Pointer Three new tetranuclear copper(II) cluster-based complexes have been obtained. Black-Right-Pointing-Pointer The atrz conduces to the construction of tetranuclear copper(II) clusters. Black-Right-Pointing-Pointer Carboxylates show important effect on the structures of title complexes. Black-Right-Pointing-Pointer Magnetic properties and electrochemical behaviors have been reported.

  9. Cardiac toxicity of 5-ring polycyclic aromatic hydrocarbons is differentially dependent on the aryl hydrocarbon receptor 2 isoform during zebrafish development

    SciTech Connect (OSTI)

    Incardona, John P. Linbo, Tiffany L.; Scholz, Nathaniel L.

    2011-12-15

    Petroleum-derived compounds, including polycyclic aromatic hydrocarbons (PAHs), commonly occur as complex mixtures in the environment. Recent studies using the zebrafish experimental model have shown that PAHs are toxic to the embryonic cardiovascular system, and that the severity and nature of this developmental cardiotoxicity varies by individual PAH. In the present study we characterize the toxicity of the relatively higher molecular weight 5-ring PAHs benzo[a]pyrene (BaP), benzo[e]pyrene (BeP), and benzo[k]fluoranthene (BkF). While all three compounds target the cardiovascular system, the underlying role of the ligand-activated aryl hydrocarbon receptor (AHR2) and the tissue-specific induction of the cytochrome p450 metabolic pathway (CYP1A) were distinct for each. BaP exposure (40 {mu}M) produced AHR2-dependent bradycardia, pericardial edema, and myocardial CYP1A immunofluorescence. By contrast, BkF exposure (4-40 {mu}M) caused more severe pericardial edema, looping defects, and erythrocyte regurgitation through the atrioventricular valve that were AHR2-independent (i.e., absent myocardial or endocardial CYP1A induction). Lastly, exposure to BeP (40 {mu}M) yielded a low level of CYP1A+ signal in the vascular endothelium of the head and trunk, without evident toxic effects on cardiac function or morphogenesis. Combined with earlier work on 3- and 4-ring PAHs, our findings provide a more complete picture of how individual PAHs may drive the cardiotoxicity of mixtures in which they predominate. This will improve toxic injury assessments and risk assessments for wild fish populations that spawn in habitats altered by overlapping petroleum-related human impacts such as oil spills, urban stormwater runoff, or sediments contaminated by legacy industrial activities. -- Highlights: Black-Right-Pointing-Pointer PAH compounds with 5 rings in different arrangements caused differential tissue-specific patterns of CYP1A induction in zebrafish embryos. Black-Right-Pointing-Pointer These compounds produced differential cardiac developmental toxicity that did not strictly correlate with associated CYP1A induction. Black-Right-Pointing-Pointer Cardiotoxicity of benzo(a)pyrene was partially dependent on the AHR2 isoform, while benzo(k)fluoranthene cardiotoxicity was not. Black-Right-Pointing-Pointer Individual PAH compounds have distinct toxicokinetic pathways in fish embryos, and act through different toxic mechanisms.

  10. Aromatic triamide-lanthanide complexes

    DOE Patents [OSTI]

    2013-10-08

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one phthalamidyl moiety. Also provided are probes incorporating the phthalamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  11. Aromatic-radical oxidation chemistry

    SciTech Connect (OSTI)

    Glassman, I.; Brezinsky, K.

    1993-12-01

    The research effort has focussed on discovering an explanation for the anomalously high CO{sub 2} concentrations observed early in the reaction sequence of the oxidation of cyclopentadiene. To explain this observation, a number of plausible mechanisms have been developed which now await experimental verification. One experimental technique for verifying mechanisms is to probe the reacting system by perturbing the radical concentrations. Two forms of chemical perturbation of the oxidation of cyclopentadiene were begun during this past year--the addition of NO{sub 2} and CO to the reacting mixture.

  12. Real-time measurements of particulate matter and polycyclic aromatic hydrocarbon emissions from stationary combustion sources used in oil and gas production

    SciTech Connect (OSTI)

    D. w. Hahn; K. r. Hencken; H. A. Johnsen; J. R. Ross; P. M. Walsh

    1998-12-10

    Particulate matter emissions and some components of the particles were measured in the exhaust from combustion equipment used in oil and gas production operations near Bakersfield, California. The combustion sources included a 22.5 MW (electric) turbine generator, a 342-Bhp rich-burn spark ignition engine, and a 50 million Btu/h steam generator, all fired using natural gas. The particle components and measurement techniques were as follows: (1) Calcium, magnesium, sodium, silicon, and iron were measured using laser-induced breakdown spectroscopy (LIBS), (2) particle-bound polycyclic aromatic hydrocarbons (PAH) were detected using the charge produced by photoionization, (3) particles having sizes between 0.1 and 7.5 {micro}m were counted using an instrument based on light scattering, and (4) total particulate matter was measured according to US EPA Method 5. Not all of the methods were applied to all of the sources. Measurements were also made in the ambient air near the combustion air inlets to the units, for comparison with the concentrations in the exhaust, but the inlet and outlet measurements were not done simultaneously. Calcium, sodium, and silicon were found in the exhaust from the steam generator at concentrations similar to those in the ambient air near the inlet to the burner. Sodium and silicon were observed in the engine exhaust at levels a factor of four higher than their concentrations in the air. The principal metal observed in the engine exhaust was calcium, a component of the lubricating oil, at a concentration of 11.6 {micro}g/m{sup 3}. The air entering the gas turbine is filtered, so the average concentrations of metals in the turbine exhaust under steady operating conditions were even lower than in the air. During start-up following a shut-down to wash the turbine, silicon and iron were the major species in the stack, at concentrations of 6.4 and 16.2 {micro}g/m{sup 3}, respectively. A possible source of silicon is the water injected into the turbine for NO{sub x} control. Iron-containing particles are expected to be scale from ferrous metals. A commercial photoelectric aerosol sensor was used to measure PAH adsorbed on particles in the exhaust from the steam generator and the rich-burn engine. The conversion of the instrument readings to PAH concentrations is dependent upon the specific distribution of PAH species present. Using the typical calibration factor recommended by the instrument manufacturer, the estimated average concentration of particle-bound PAH was below the instrument detection limit (3--10 ng/m{sup 3}) in the stack gas from the steam generator, and was estimated to be 0.045--0.15 {micro}g/m{sup 3} in the exhaust from the rich-burn engine. Particle mass concentrations estimated from number concentrations determined using the particle counting and sizing instrument were only small fractions of the concentrations measured using Method 5. This is thought to be due primarily to the limited range over which size was quantified (0.1 to 7.5 {micro}m) and the poor efficiency with which the sampling system transferred large particles.

  13. AVTA: 2013 Ford C-Max Energi PHEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road....

  14. Property:Incentive/MaxInc | Open Energy Information

    Open Energy Info (EERE)

    + 20% of the annual C&I Standard Offer Program budget AEP SWEPCO - SMART Source Solar PV Program (Texas) + Residential: 15,000
    Non-residential: 30,000 AEP Texas Central...

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

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

    This problem is intermittent, started in April, then mid July, and again since late August. Status: This problem is identified as a problem when TorqueMoab batch scheduler becomes ...

  16. Populations Voss, R.; /Garching, Max Planck Inst., MPE; Ajello...

    Office of Scientific and Technical Information (OSTI)

    study the populations of X-ray sources in the Milky Way in the 15-55 keV band using a deep survey with the BAT instrument aboard the Swift observatory. We present the logN-logS...

  17. Max Data Report Jet Stability versus Inlet Geometry

    SciTech Connect (OSTI)

    Lomperski, S.; Bremer, N.

    2015-09-01

    This document describes experiments investigating the effect of inlet geometry on the flow field within a glass tank where two jets mix and impinge upon the lid. The setup mimics the outlet plenum of a fast reactor where core exit flows of different temperatures can mix in ways that induce thermal cycling in neighboring structures.

  18. Crivelli, Silvia; Kreylos, Oliver; Max, Nelson; Hamann, Bernd...

    Office of Scientific and Technical Information (OSTI)

    and steer a protein structure prediction process that may be running on a remote machine. ProteinShop was used to create initial configurations for a protein structure...

  19. Max Tech Electric HPWH with Lower GWP Halogenated Refrigerant | Department

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

    Matthew Ringer - Laboratory Program Manager, National Renewable Energy Laboratory ringer.png Matthew Ringer is a Laboratory Program Manager at the National Renewable Energy Laboratory. He has worked at NREL for more than 11 years. In his current role, Matt oversees the Lab-Corps Program, SBV CAP, and the Energy Innovation Portal. Additionally, he works with EERE on various commercialization initiatives, assists companies interested in commercializing NREL IP, and improving many of NREL's

  20. Property:Incentive/WindResPercMax | Open Energy Information

    Open Energy Info (EERE)

    I Independence Light & Power - Renewable Energy Rebates (Iowa) + 25% + L Local Small Wind Rebate Programs (Colorado) + 50% + M Maquoketa Municipal Electric Utility - Renewable...

  1. Property:Incentive/PVPbiFitMaxKW | Open Energy Information

    Open Energy Info (EERE)

    P Palmetto Clean Energy (PaCE) Program (South Carolina) + 6 + Preston Municipal Electric Utility - Renewable Energy Rebates (Iowa) + 20 + Progress Energy Carolinas - SunSense...

  2. Is a 'Mad Max' apocalypse possible? | GE Global Research

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

    Is Your Home as Ready for Summer as You Are? Is Your Home as Ready for Summer as You Are? June 2, 2014 - 4:09pm Addthis Learn about home energy audits in this Energy 101 video. Harris Walker Communications Specialist, Weatherization and Intergovernmental Program What does this mean for me? You can save money this summer by checking your home for air leaks and seeing if it has sufficient insulation and energy-saving lightbulbs. It took longer than expected, but the harsh winter is finally over

  3. Microsoft Word - Draft Annncmnt of Max Aggregate Payments 11...

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

    6, 2012 Announcement of Estimated Maximum Amount of Aggregate Payments BPA will Accept for the 2012 Prepayment Program Background The Bonneville Power Administration ("BPA") issued...

  4. Cover option 1 presentation title two lines max

    Energy Savers [EERE]

    © 2015 General Electric Company - All rights reserved 2015 DOE-NEET: Environmental Cracking and Irradiation Resistant Stainless Steel by Additive Manufacturing (AM) Xiaoyuan Lou ( loux@ge.com ) Ceramics and Metallurgy Technologies GE Global Research, Niskayuna, NY 2015 DOE AMM Workshop, Arlington, VA Sep. 29, 2015 This material was prepared with the internal support from General Electric Company. Additive Manufacturing for Nuclear Overview 3 © 2015 General Electric Company - All rights

  5. Cover option 1 presentation title two lines max

    Energy Savers [EERE]

    Powder atomization Low Cobalt 5 2015 General ... Eliminating post treatment cost from HIP ... process: 1. high local temperature 2. extremely fast ...

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

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

    ... Smith delivered a statement from William Brinkman, director of the DOE's Office of Science, who was unable to attend. Brinkman noted that the DOE "welcomes the creation of this new ...

  7. Microsoft PowerPoint - 16_Sahara.dust.min.20070326.ppt [Compatibility...

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

    ice particle due to insufficient M ll i ti l ti t p water vapor supply and short life time. More small ice particles continue to grow up slowly, producing more PR...

  8. Microsoft PowerPoint - 2006-04-lustre-future-40mins.ppt

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

    network IO guarantees fast client & server side IO Routing enables multi-cluster, multi-network namespace Supports Multiple Network Protocols Lustre's failover...

  9. H2 Refuel H-Prize Overview and Q&A

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

    ... dispensing pressure 350 bar Max dispensing time (standard fill) 10 hours 60 minutes Min. ... Home Community Home & Community 1 350 bar or higher 10 hours or less 60 minutes or ...

  10. Policy Specialist | Department of Energy

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

    apply under the Merit Promotion announcement. Work Schedule Full time Work Type Permanent Series 1101 Salary Basis Per Year Grade 1313 Salary Min 87,994.00 Salary Max 114,390...

  11. Deputy Director, EMCBC | Department of Energy

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

    Who May Apply All U.S Citizens Work Schedule Full Time Work Type Permanent Series 0340 Salary Basis Per Year Grade 0000 Salary Min 121,956.00 Salary Max 183,300.00 Start Date...

  12. Senior Advisor, Chief Information Security Officer | Department...

    Energy Savers [EERE]

    May Apply ALL U.S. CITIZENS Work Schedule FULL-TIME Work Type PERMANENT Series 2210 Salary Basis Per Year Grade 0000 Salary Min 121,956.00 Salary Max 183,300.00 Start Date...

  13. Policy Specialist | Department of Energy

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

    apply under the Merit Promotion announcement. Work Schedule Full time Work Type Permanent Series 1101 Salary Basis Per Year Grade 1212 Salary Min 73,998.00 Salary Max 96,203...

  14. Diversity and Inclusion Specialist | Department of Energy

    Energy Savers [EERE]

    Merit Promotion announcement. Work Schedule Full time Work Type Permanent Series 0301 Salary Basis Per Year Grade 1313 Salary Min 87,994.00 Salary Max 114,390.00 Start Date...

  15. Program Support Specialist | Department of Energy

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

    vacancy WAPA-16-MP-19. Work Schedule Full-Time Work Type Permanent Series 0301 Salary Basis Per Year Grade 1111 Salary Min 62,850.00 Salary Max 81,706.00 Start Date...

  16. Director, Office of Oil, Gas, and Coal Supply Statistics | Department...

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

    from all U.S. Citizens. Work Schedule Full-Time Work Type Permanent Series 0340 Salary Basis Per Year Grade 0000 Salary Min 121,956.00 Salary Max 183,300.00 Start Date...

  17. Helicopter Pilot | Department of Energy

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

    Apply on USAJOBS Who May Apply All U.S. Citizens Work Schedule Full-Time Work Type Permanent Series 2181 Salary Basis Per Year Grade 1313 Salary Min 90,779.00 Salary Max ...

  18. Momentum transport in the vicinity of q{sub min} in reverse shear tokamaks due to ion temperature gradient turbulence

    SciTech Connect (OSTI)

    Singh, Rameswar; Laboratoire de Physique des Plasmas, Ecole Polytechnique route de Saclay, 91128 Palaiseau Cedex ; Singh, R; WCI Center for Fusion Theory, National Fusion Research Institute, Daejeon 305-333 ; Jhang, Hogun; Diamond, P. H.; Center for Momentum Transport and Flow Organization, University of California, San Diego, California 92093; Center for Astrophysics and Space Sciences, University of California San Diego, 9500 Gilman Dr., La Jolla, California 92093-0424

    2014-01-15

    We present an analytic study of momentum transport of tokamak plasmas in the vicinity of minimum safety factor (q) position in reversed magnetic shear configuration. Slab ion temperature gradient modes with an equilibrium flow profile are considered in this study. Quasi-linear calculations of momentum flux clearly show the novel effects of q-curvature on the generation of intrinsic rotation and mean poloidal flow without invoking reflectional symmetry breaking of parallel wavenumber (k{sub ?}). This q-curvature effect originates from the inherent asymmetry in k{sub ?} populations with respect to a rational surface due to the quadratic proportionality of k{sub ?} when q-curvature is taken into account. Discussions are made of possible implications of q-curvature induced plasma flows on internal transport barrier formation in reversed shear tokamaks.

  19. AVTA: 2013 Ford C-Max Energi Fleet PHEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Ford CMAX Energi (a plug-in hybrid electric vehicle).

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

    Office of Science (SC) Website

    Print Text Size: A A A FeedbackShare Page Physics: For her contributions to the theory of laser guide star adaptive optics and its application in ground-based astronomy to correct ...

  1. DOE-CX-00009_WiMAX_Upgrades_on_Gable_Mountain.pdf

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

  2. Index of /datasets/files/41/pub/PUBID8_0001/MaxTech

    Open Energy Info (EERE)

    Size DIR Parent Directory - DIR Sim1 18-Apr-2012 11:06 - 429 Throttled (bot load) Error 429 Throttled (bot load) Throttled (bot load) Guru Meditation: XID: 653191376 Varnish...

  3. THE MASS-RICHNESS RELATION OF MaxBCG CLUSTERS FROM QUASAR LENSING...

    Office of Scientific and Technical Information (OSTI)

    Authors: Bauer, Anne H. 1 ; Baltay, Charles ; Ellman, Nancy ; Jerke, Jonathan ; Rabinowitz, David ; Scalzo, Richard, E-mail: bauer@ieec.uab.es 2 + Show Author Affiliations ...

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

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

    Image credit: Oak Ridge National Laboratory. Information flow schematic for an integrated heat ... options, cycle configurations, and system designs to determine the best path ...

  5. Webinar: Max Tech and Beyond Design Competition for Ultra-Low-Energy-Use Appliances & Equipment

    Broader source: Energy.gov [DOE]

    The competition invited twelve University faculty-led student engineering teams to participate in a year long effort to design, build and test their original energy savings technologies and prototypes.

  6. Onshore wind max capacity 50.4% - what wind farm, what year?...

    Open Energy Info (EERE)

    willing to learn.) Submitted by Bob Wallace on 15 June, 2013 - 00:23 1 answer Points: 0 Hi Bob- Thank you for posting your question. It seems that your question developed after...

  7. ARM - Field Campaign - 2006 MAX-Mex-Megacity Aerosol eXperiment...

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

    characterization of the aerosols, on aerosol transformations including aging of the black carbon during outflow from the region, and on the effects of the megacity aerosol plume on...

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

    SciTech Connect (OSTI)

    Garbesi, Karina; Desroches, Louis-Benoit; Bolduc, Christopher; Burch, Gabriel; Hosseinzadeh, Griffin; Saltiel, Seth

    2011-05-06

    This study surveyed the technical potential for efficiency improvements in 150 categories of appliances and equipment representing 33 quads of primary energy use across the US economy in 2010 and (1) documented efficient product designs, (2) identified the most promising cross-cutting strategies, and (3) ranked national energy savings potential by end use. Savings were estimated using a method modeled after US Department of Energy priority-setting reports - simplified versions of the full technical and economic analyses performed for rulemakings. This study demonstrates that large savings are possible by replacing products at the end-of-life with ultra-efficient models that use existing technology. Replacing the 50 top energy-saving end-uses (constituting 30 quads of primary energy consumption in 2010) with today's best-on-market equivalents would save {approx}200 quads of US primary energy over 30 years (25% of consumption anticipated there from). For the 29 products for maximum feasible savings potential could be estimated, the savings were twice as high. These results demonstrate that pushing ultra-efficient products to market could significantly escalate carbon emission reductions and is a viable strategy for sustaining large emissions reductions through standards. The results of this analysis were used by DOE for new coverage prioritization, to identify key opportunities for product prototyping and market development, and will leverage future standards rulemakings by identifying the full scope of maximum feasible technology options. High leverage products include advances lighting systems, HVAC, and televisions. High leverage technologies include electronic lighting, heat pumps, variable speed motors, and a host of controls-related technologies.

  9. P:\JODI\P393-396.WPD

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

    R ¯ Q ¯ R ¯ Q 1, R i,j Q i,j Xl l nx 2 . Q i,j R i,j D D min D max nx 2 D min D max µm Header 393 Simulation of Solar Radiative Transfer in Cumulus Clouds V. E. Zuev and G. A. Titov Institute of Atmospheric Optics Russian Academy of Sciences Tomsk, Russia Current radiation codes of general circulation models The stochastic geometry of cumulus clouds is, to date, (GCMs) are still largely based on plane-parallel models, poorly understood. To avoid expensive computations, we which

  10. Draft Genome Sequence of the Polycyclic Aromatic Hydrocarbon...

    Office of Scientific and Technical Information (OSTI)

    Authors: Chauhan, Archana 1 ; Layton, Alice 2 ; Williams, Daniel W 1 ; Smart, Abby E. 2 ; Ripp, Steven Anthony 1 ; Karpinets, Tatiana V 1 ; Brown, Steven D 1 ; ...

  11. 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.

  12. 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.

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

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

    Selective Catalytic Oxidation of Hydrogen Sulfide to Elemental Sulfur from Coal-Derived Fuel Gases Todd H. Gardner (todd.gardner@netl.doe.gov, 304-285-4226) David A. Berry (david.berry@netl.doe.gov, 304-285-4430) K. David Lyons (kenneth.lyons@netl.doe.gov, 304-285-4379) Stephen K. Beer (stephen.beer@netl.doe.gov, 304-285-4040) Michael J. Monahan (michael.monahan@netl.doe.gov, 304-285-4408) U. S. Department of Energy National Energy Technology Laboratory P. O. Box 880 3610 Collins Ferry Road

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

    Office of Scientific and Technical Information (OSTI)

    ... Science Center, California Institute of Technology, MC 220-6, 1200 East California Boulevard, Pasadena, CA 91125 (United States) National Radio Astronomy Observatory, PO Box O, ...

  15. Conversion of Lignocellulosic Feedstocks to Aromatic Fuels and...

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

    ... Continue to work on improving yields to lower effect of biomass price volatility on final fuel product. Prolonged Depression of Crude Oil Prices Strive to be the low cost producer ...

  16. Section 27

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

    ( m) 0min 2 J 2 J max < +J,exp 1&2p 1&2 &H <4 Session Papers 109 Figure 1. Water vapor transmission spectra for solar zenith angle 2 60. From the top: from TOA...

  17. Microsoft Word - Document2

    Open Energy Info (EERE)

    min, average, and max average CO 2 emissions by month for AZNM subregion (lbs CO 2 MWh load) 800 1,100 1,400 1,700 January 800 1,100 1,400 1,700 February 800 1,100 1,400 1,700...

  18. Reduced diurnal temperature range does not change warming impacts on ecosystem carbon balance of Mediterranean grassland mesocosms

    SciTech Connect (OSTI)

    Phillips, Claire L.; Gregg, Jillian W.; Wilson, John K.

    2011-11-01

    Daily minimum temperature (Tmin) has increased faster than daily maximum temperature (Tmax) in many parts of the world, leading to decreases in diurnal temperature range (DTR). Projections suggest these trends are likely to continue in many regions, particularly northern latitudes and in arid regions. Despite wide speculation that asymmetric warming has different impacts on plant and ecosystem production than equal-night-and-day warming, there has been little direct comparison of these scenarios. Reduced DTR has also been widely misinterpreted as a result of night-only warming, when in fact Tmin occurs near dawn, indicating higher morning as well as night temperatures. We report on the first experiment to examine ecosystem-scale impacts of faster increases in Tmin than Tmax, using precise temperature controls to create realistic diurnal temperature profiles with gradual day-night temperature transitions and elevated early morning as well as night temperatures. Studying a constructed grassland ecosystem containing species native to Oregon, USA, we found the ecosystem lost more carbon at elevated than ambient temperatures, but was unaffected by the 3ºC difference in DTR between symmetric warming (constantly ambient +3.5ºC) and asymmetric warming (dawn Tmin=ambient +5ºC, afternoon Tmax= ambient +2ºC). Reducing DTR had no apparent effect on photosynthesis, likely because temperatures were most different in the morning and late afternoon when light was low. Respiration was also similar in both warming treatments, because respiration temperature sensitivity was not sufficient to respond to the limited temperature differences between asymmetric and symmetric warming. We concluded that changes in daily mean temperatures, rather than changes in Tmin/Tmax, were sufficient for predicting ecosystem carbon fluxes in this reconstructed Mediterranean grassland system.

  19. A general maximum entropy framework for thermodynamic variational principles

    SciTech Connect (OSTI)

    Dewar, Roderick C.

    2014-12-05

    Minimum free energy principles are familiar in equilibrium thermodynamics, as expressions of the second law. They also appear in statistical mechanics as variational approximation schemes, such as the mean-field and steepest-descent approximations. These well-known minimum free energy principles are here unified and extended to any system analyzable by MaxEnt, including non-equilibrium systems. The MaxEnt Lagrangian associated with a generic MaxEnt distribution p defines a generalized potential ? for an arbitrary probability distribution p-hat, such that ? is a minimum at (p-hat) = p. Minimization of ? with respect to p-hat thus constitutes a generic variational principle, and is equivalent to minimizing the Kullback-Leibler divergence between p-hat and p. Illustrative examples of min? are given for equilibrium and non-equilibrium systems. An interpretation of changes in ? is given in terms of the second law, although min? itself is an intrinsic variational property of MaxEnt that is distinct from the second law.

  20. Reduction in maximum time uncertainty of paired time signals

    DOE Patents [OSTI]

    Theodosiou, G.E.; Dawson, J.W.

    1981-02-11

    Reduction in the maximum time uncertainty (t/sub max/ - t/sub min/) of a series of paired time signals t/sub 1/ and t/sub 2/ varying between two input terminals and representative of a series of single events where t/sub 1/ less than or equal to t/sub 2/ and t/sub 1/ + t/sub 2/ equals a constant, is carried out with a circuit utilizing a combination of OR and AND gates as signal selecting means and one or more time delays to increase the minimum value (t/sub min/) of the first signal t/sub 1/ closer to t/sub max/ and thereby reduce the difference. The circuit may utilize a plurality of stages to reduce the uncertainty by factors of 20 to 800.

  1. Reduction in maximum time uncertainty of paired time signals

    DOE Patents [OSTI]

    Theodosiou, G.E.; Dawson, J.W.

    1983-10-04

    Reduction in the maximum time uncertainty (t[sub max]--t[sub min]) of a series of paired time signals t[sub 1] and t[sub 2] varying between two input terminals and representative of a series of single events where t[sub 1][<=]t[sub 2] and t[sub 1]+t[sub 2] equals a constant, is carried out with a circuit utilizing a combination of OR and AND gates as signal selecting means and one or more time delays to increase the minimum value (t[sub min]) of the first signal t[sub 1] closer to t[sub max] and thereby reduce the difference. The circuit may utilize a plurality of stages to reduce the uncertainty by factors of 20--800. 6 figs.

  2. On quantum Rnyi entropies: A new generalization and some properties

    SciTech Connect (OSTI)

    Mller-Lennert, Martin; Dupuis, Frdric; Szehr, Oleg; Fehr, Serge; Tomamichel, Marco

    2013-12-15

    The Rnyi entropies constitute a family of information measures that generalizes the well-known Shannon entropy, inheriting many of its properties. They appear in the form of unconditional and conditional entropies, relative entropies, or mutual information, and have found many applications in information theory and beyond. Various generalizations of Rnyi entropies to the quantum setting have been proposed, most prominently Petz's quasi-entropies and Renner's conditional min-, max-, and collision entropy. However, these quantum extensions are incompatible and thus unsatisfactory. We propose a new quantum generalization of the family of Rnyi entropies that contains the von Neumann entropy, min-entropy, collision entropy, and the max-entropy as special cases, thus encompassing most quantum entropies in use today. We show several natural properties for this definition, including data-processing inequalities, a duality relation, and an entropic uncertainty relation.

  3. Reduction in maximum time uncertainty of paired time signals

    DOE Patents [OSTI]

    Theodosiou, George E.; Dawson, John W.

    1983-01-01

    Reduction in the maximum time uncertainty (t.sub.max -t.sub.min) of a series of paired time signals t.sub.1 and t.sub.2 varying between two input terminals and representative of a series of single events where t.sub.1 .ltoreq.t.sub.2 and t.sub.1 +t.sub.2 equals a constant, is carried out with a circuit utilizing a combination of OR and AND gates as signal selecting means and one or more time delays to increase the minimum value (t.sub.min) of the first signal t.sub.1 closer to t.sub.max and thereby reduce the difference. The circuit may utilize a plurality of stages to reduce the uncertainty by factors of 20-800.

  4. Microsoft Word - S07834_2011 Ann Rpt_ag comment revs

    Office of Legacy Management (LM)

    Supplementary Time-Trend Sparkline Plots This page intentionally left blank U.S. Department of Energy Annual Performance Report, Shiprock, New Mexico January 2012 Doc. No. S07834 Page A-1 Legend In these sparkline diagrams, red markers denote maximum (max) concentrations and green markers denote minima (min); black markers denote the most recent (current) March 2011 measurement. The x-axis is hidden but corresponds to the Feb-00 to Mar-11 date range noted above each plot. Vertical (y-) axis

  5. Queues and Policies

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

    Queues and Policies Queues and Policies Overview Jobs must be submitted to a valid submit queue. Upon submission the job is routed to the appropriate execution queue. Users can not directly access the execution queues. Submit Queue Execution Queue Nodes Available Cores Max Wallclock Relative Priority Run Limit Eligible Limit Charge Factor* interactive interactive 1-8 1-64 30 mins 1 2 1 1.5 debug debug 1-32 1-256 30 mins 2 2 1 1.5 regular reg_short 1-16 1-128 4 hrs 3 8 4 1.5 reg_small 1-16 1-128

  6. A=11C (59AJ76)

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

    59AJ76) (See the Energy Level Diagram for 11C) GENERAL: See also Table 11.8 [Table of Energy Levels] (in PDF or PS). Theory: See (KU56, KU57A, FR58B). 1. 11C(β+)11B Qm = 1.981 The spectrum is simple; Eβ+(max) = 968 ± 8 keV (WO54A). The mean of half-lives reported in (55AJ61) is 20.36 ± 0.05 min. Recent values of the half-lives are 20.26 ± 0.1 min (BA55E), 20.8 ± 0.2 min (PR57B) and 20.11 ± 0.13 min (AR58); log ft = 3.62 (WO54A). The ratio of K-capture to positron emission is 0.19 ± 0.03

  7. The effect of sorption on the degradation of aromatic acids and bases

    SciTech Connect (OSTI)

    Ainsworth, C.C.; Fredrickson, J.K.; Smith, S.C.

    1992-10-01

    The availability and degradation of selected ionizable organic compounds sorbed to pure mineral phases are discussed. Substrates sorbed to mineral surfaces may or may not be protected from microbial attack; the degree of protection appears to be dependent on the type and cell density of the microorganism involved. The currently available data, however, demonstrate that there is little, if any, consensus on the types of reactions or interactions that facilitate sorbed substrate utilization. Rates of degradation of organic bases and cations that sorb to clay minerals via an exchange reaction are suggested to be directly related to substrate binding intensity and conformation on the clay surface. Similarly, rates of degradation of organic acids sorbed to the surface of oxides are suggested to be related to their interaction with the surface and the type of oxide sorbent. Although the rate-limiting step in microbial utilization of sorbed acids and bases is apparently a desorption process, the rate of desorption is itself linked to the compound's binding intensities on a given sorbent. Thus, as the binding intensities of compounds increase, chemical kinetic reactions, rather than mass-transfer processes, appear to limit the rate of desorption.

  8. The effect of sorption on the degradation of aromatic acids and bases

    SciTech Connect (OSTI)

    Ainsworth, C.C.; Fredrickson, J.K.; Smith, S.C.

    1992-10-01

    The availability and degradation of selected ionizable organic compounds sorbed to pure mineral phases are discussed. Substrates sorbed to mineral surfaces may or may not be protected from microbial attack; the degree of protection appears to be dependent on the type and cell density of the microorganism involved. The currently available data, however, demonstrate that there is little, if any, consensus on the types of reactions or interactions that facilitate sorbed substrate utilization. Rates of degradation of organic bases and cations that sorb to clay minerals via an exchange reaction are suggested to be directly related to substrate binding intensity and conformation on the clay surface. Similarly, rates of degradation of organic acids sorbed to the surface of oxides are suggested to be related to their interaction with the surface and the type of oxide sorbent. Although the rate-limiting step in microbial utilization of sorbed acids and bases is apparently a desorption process, the rate of desorption is itself linked to the compound`s binding intensities on a given sorbent. Thus, as the binding intensities of compounds increase, chemical kinetic reactions, rather than mass-transfer processes, appear to limit the rate of desorption.

  9. 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.

  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. Pretreatment of solid carbonaceous material with dicarboxylic aromatic acids to prevent scale formation

    DOE Patents [OSTI]

    Brunson, Roy J.

    1982-01-01

    Scale formation during the liquefaction of lower ranking coals and similar carbonaceous materials is significantly reduced and/or prevented by pretreatment with a pretreating agent selected from the group consisting of phthalic acid, phthalic anhydride, pyromellitic acid and pyromellitic anhydride. The pretreatment is believed to convert the scale-forming components to the corresponding phthalate and/or pyromellitate prior to liquefaction. The pretreatment is accomplished at a total pressure within the range from about 1 to about 2 atmospheres. Temperature during pretreatment will generally be within the range from about 5.degree. to about 80.degree. C.

  12. Redox shuttles having an aromatic ring fused to a 1,1,4,4-tetrasubstit...

    Office of Scientific and Technical Information (OSTI)

    Inventors: Weng, Wei ; Zhang, Zhengcheng ; Amine, Khalil Issue Date: 2015-12-01 OSTI Identifier: 1228404 Assignee: UCHICAGO ARGONNE, LLC CHO Patent Number(s): 9,203,112 Application ...

  13. Aromatization or dehydrocyclization of N-alkanes using soluble transition metal complexes

    DOE Patents [OSTI]

    Goldman, Alan; Ahuja, Ritu; Schinski, William

    2016-04-05

    The invention provides methods and compositions useful for synthesizing alkylaromatics from an n-alkanes.

  14. Final Report for Grant "Direct Writing via Novel Aromatic Ladder Polymer Precursors"

    SciTech Connect (OSTI)

    C. B. Gorman

    2010-10-29

    This report describes activities and findings under the above entitled grant. These pertain to the development of new synthetic routes to novel precursor polymers and oligomers that are applicable for conversion from electrical insulators to electrical conductors under the application of light (e.g. direct photolithographic writing)

  15. Introduction of ?-Complexation into Porous Aromatic Framework for Highly Selective Adsorption of Ethylene over Ethane

    SciTech Connect (OSTI)

    Li, Baiyan; Zhang, Yiming; Krishna, Rajamani; Yao, Kexin; Han, Yu; Wu, Zili; Ma, Dingxuan; Shi, Zhan; Pham, Tony; Space, Brian; Liu, Jian; Thallapally, Praveen K.; Liu, Jun; Matthew, Chrzanowski; Ma, Shengqian

    2014-06-05

    We report herein a strategy of incorporating air stable Ag(I) ions into water stable, high surface area porous organic polymer (POP) affording significant increase in ethylene uptake capacity and extremely high Qst for ethylene (over 100 kJ/mol at low ethylene load-ing) as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and equimolar ethylene/ethane ratio at 296 K reveal PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivi-ty (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. This alongside excellent water/air stability, high ethylene uptake capacity, and mild regeneration requirements make PAF-1-SO3Ag hold promise for adsorption-based eth-ylene/ethane separations, paving a way to develop Ag(I) ion function-alized POPs as a new platform for highly selective adsorption of eth-ylene over ethane.

  16. Selective aerobic alcohol oxidation method for conversion of lignin into simple aromatic compounds

    DOE Patents [OSTI]

    Stahl, Shannon S; Rahimi, Alireza

    2015-03-03

    Described is a method to oxidize lignin or lignin sub-units. The method includes oxidation of secondary benzylic alcohol in the lignin or lignin sub-unit to a corresponding ketone in the presence of unprotected primarily aliphatic alcohol in the lignin or lignin sub-unit. The optimal catalyst system consists of HNO.sub.3 in combination with another Bronsted acid, in the absence of a metal-containing catalyst, thereby yielding a selectively oxidized lignin or lignin sub-unit. The method may be carried out in the presence or absence of additional reagents including TEMPO and TEMPO derivatives.

  17. SU-E-T-61: Capabilities and Considerations for the Clinical Use of Flattening Filter Free (FFF) Beams for Volumetric Modulated Arc Therapy (VMAT)

    SciTech Connect (OSTI)

    Moore, J; Zhang, Y; Duhon, M; Smith, K; McNutt, T; Wong, J

    2014-06-01

    Purpose: Machines with FFF beams are becoming more prevalent. As technology evolves, guidelines for its use need to be developed. FFF beams have the potential for much greater dose rates and lower out-of-field dose. The use of VMAT with FFF adds additional complexity. This work attempts to define the capabilities and limitations of FFF when applied to VMAT fields and characterize the situations which this technology is best suited. Methods: The total monitor units of a VMAT delivery is modified to determine the minimum deliverable dose rate for FFF and non-FFF beams on an Elekta VersaHD linear accelerator. The minimum dose rate limits the minimum dose per segments, thus reducing the available modulation. Time is assessed by recording the beam-on time for FFF and non-FFF beams. For 10 plans with standard fraction sizes (180–212 cGy/Fx) maximum dose rate per control point and number of control points exceeding 400 MU/min are recorded. Results: VMAT minimum dose rate is related to the pulse rate. The minimum deliverable dose rate is ∼36 MU/min (0.12 MU/deg) for 6x-FFF (max 1400 MU/min) and ∼75 MU/min (0.27 MU/deg) for 10x-FFF (max 2400 MU/min) beams. Delivery time is independent of dose rate for dose rates below 1500 MU/min as it is limited by gantry speed. The maximum dose rate across in all plans according to Pinnacle is 1170 MU/min for FFF plans and 800 MU/min for non-FFF plans. The percentage of control points exceeding 400 MU/min is 13.3% for FFF and 9% for non-FFF beams. Conclusion: FFF does not improve delivery time of VMAT fields for conventional fraction sizes, since the dominant factor is gantry speed instead of dose rate. However, there may be potential for speed improvement for very large fraction sizes. Due to pulse rate dependency, FFF beams require a higher minimum dose rate.

  18. mpimemu

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

    mpimemu mpimemu Description The code mpimemu is a simple tool that helps approximate MPI library memory usage as a function of scale. It takes samples of /proc/meminfo (node level) and /proc/self/status (process level) and outputs the min, max and avg values for a specified period of time. More information can be found in the README and README.QUICKSTART files. Download mpimemu tar file (updated July 5, README only) How to Build ./configure CC=mpicc (or your appropriate MPI C compiler) make How

  19. Evolution of the macromolecular structure of sporopollenin during thermal degradation

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

    Bernard, S.; Benzerara, K.; Beyssac, O.; Balan, E.; G. E. Brown, Jr.

    2015-10-01

    Reconstructing the original biogeochemistry of organic microfossils requires quantifying the extent of the chemical transformations they experienced during burial and maturation processes. In the present study, fossilization experiments have been performed using modern sporopollenin chosen as an analogue for the resistant biocompounds possibly constituting the wall of many organic microfossils. Sporopollenin powder has been processed thermally under argon atmosphere at different temperatures (up to 1000 °C) for varying durations (up to 900 min). Solid residues of each experiment have been characterized using infrared, Raman and synchrotron-based XANES spectroscopies. Results indicate that significant defunctionalisation and aromatization affect the molecular structure ofmore » sporopollenin with increasing temperature. Two distinct stages of evolution with temperature are observed: in a first stage, sporopollenin experiences dehydrogenation and deoxygenation simultaneously (below 500 °C); in a second stage (above 500 °C) an increasing concentration in aromatic groups and a lateral growth of aromatic layers are observed. With increasing heating duration (up to 900 min) at a constant temperature (360 °C), oxygen is progressively lost and conjugated carbon–carbon chains or domains grow progressively, following a log-linear kinetic behavior. Based on the comparison with natural spores fossilized within metasediments which experienced intense metamorphism, we show that the present experimental simulations may not perfectly mimic natural diagenesis and metamorphism. Moreover, performing such laboratory experiments provides key insights on the processes transforming biogenic molecules into molecular fossils.« less

  20. Application of /sup 13/C, /sup 2/H, /sup 1/H NMR and GPC to the study of structural evolution of subbituminous coal in tetralin at 427/sup 0/C

    SciTech Connect (OSTI)

    Franz, J.A.; Camaioni, D.M.; Skiens, W.E.

    1981-01-01

    The products from the treatment of subbituminous coal at 427/sup 0/C in tetralin or 1,1-d/sub 2/-tetralin for times varying from 2.5 to 120 min were examined by /sup 13/C, /sup 2/H, and /sup 1/H Fourier transform nuclear magnetic resonance (FTNMR), gel permeation chromatography (GPC), and elemental and hydroxyl group analysis. NMR and elemental analysis revealed that the flash hydroliquefaction products contained about 10% of aromatic ether carbon and phenolic carbon in roughly equal amounts, but no aliphatic ether, carboxyl, or quinine carbon. The combined asphaltenes and preasphaltenes from a 10-min reaction exhibited 68% carbon, 30% hydrogen, and 30% deuterium aromaticity, with aromaticity slowly increasing at longer reaction times. GPC analysis revealed that approximately 10% of the products were greater than 1500 mol wt, with number-average molecular weights reduced from 840 to 500 over a 2-hr reaction. Deuterium NMR revealed that the majority of deuterium transferred to coal appeared at benzylic carbons.

  1. Evolution of the macromolecular structure of sporopollenin during thermal degradation

    SciTech Connect (OSTI)

    Bernard, S.; Benzerara, K.; Beyssac, O.; Balan, E.; G. E. Brown, Jr.

    2015-10-01

    Reconstructing the original biogeochemistry of organic microfossils requires quantifying the extent of the chemical transformations they experienced during burial and maturation processes. In the present study, fossilization experiments have been performed using modern sporopollenin chosen as an analogue for the resistant biocompounds possibly constituting the wall of many organic microfossils. Sporopollenin powder has been processed thermally under argon atmosphere at different temperatures (up to 1000 °C) for varying durations (up to 900 min). Solid residues of each experiment have been characterized using infrared, Raman and synchrotron-based XANES spectroscopies. Results indicate that significant defunctionalisation and aromatization affect the molecular structure of sporopollenin with increasing temperature. Two distinct stages of evolution with temperature are observed: in a first stage, sporopollenin experiences dehydrogenation and deoxygenation simultaneously (below 500 °C); in a second stage (above 500 °C) an increasing concentration in aromatic groups and a lateral growth of aromatic layers are observed. With increasing heating duration (up to 900 min) at a constant temperature (360 °C), oxygen is progressively lost and conjugated carbon–carbon chains or domains grow progressively, following a log-linear kinetic behavior. Based on the comparison with natural spores fossilized within metasediments which experienced intense metamorphism, we show that the present experimental simulations may not perfectly mimic natural diagenesis and metamorphism. Moreover, performing such laboratory experiments provides key insights on the processes transforming biogenic molecules into molecular fossils.

  2. Observed 1970-2005 cooling of summer daytime temperatures in coastal California

    SciTech Connect (OSTI)

    Lebassi, B.; Gonzalez, J.; Fabris, D.; Maurer, E.; Miller, N.; Milesi, C.; Bornstein, R.

    2009-05-15

    The study evaluated 1948-2004 summer (JJA) mean monthly air temperatures for two California air basins: SoCAB and SFBA. The study focuses on the more rapid post-1970 warming period, and its daily T{sub min} and T{sub max} values were used to produce average monthly values and spatial distributions of trends for each air basins. Additional analyses included T{sub D} values at two NWS sites, SSTs, NCEP reanalysis sea-level pressures, and GCM T{sub ave}-values. Results for all California COOP sites together showed increased JJA T{sub ave}-values; asymmetric warming, as T{sub min}-values increase faster than T{sub max}-values; and thus decreased DTR values. The spatial distribution of observed SoCAB and SFBA T{sub max} values exhibited a complex pattern, with cooling in low-elevation coastal-areas open to marine air penetration and warming at inland areas. Results also showed that decreased DTR values in the valleys arose from small increases at 'inland' sites combined with large decreases at 'coastal' sites. Previous studies suggest that cooling JJA T{sub max}-values in coastal California were due to increased irrigation, coastal upwelling, or cloud cover, while the current hypothesis is that they arises from GHG-induced global-warming of 'inland' areas, which results in increased sea breeze flow activity. Sea level pressure trends showed increases in the oceanic Pacific High and decreases in the central-California Thermal Low. The corresponding gradient thus showed a trend of 0.02 hPa 100-km{sup -1} decade{sup -1}, supportive of the hypothesis of increased sea breeze activity. Trends in T{sub D} values showed a larger value at coastal SFO than at inland SEC, which indicative of increased sea breeze activity; calculated SST trends (0.15 C decade{sup -1}) could also have increase T{sub D}-values. GCM model Tave-values showed warming that decreases from 0.13 C decade{sup -1} at inland California to 0.08 C decade{sup -1} at coastal areas. Significant societal impacts may result from this observed 'reverse-reaction' to GHG-warming, i.e., the decreased JJA T{sub max}-values in coastal areas. Possible beneficial effects include decreased: maximum O{sub 3} levels, human thermal-stress, and energy requirements for cooling.

  3. Polycyclic aromatic hydrocarbon emission profiles and removal efficiency by electrostatic precipitator and wetfine scrubber in an iron ore sintering plant

    SciTech Connect (OSTI)

    Ettore Guerriero; Antonina Lutri; Rosanna Mabilia; Maria Concetta Tomasi Sciano; Mauro Rotatori

    2008-11-15

    A monitoring campaign of polychlorinated dibenzo-p-dioxins and dibenzofurans, polyaromatic hydrocarbons (PAHs), and polychlorinated biphenyl was carried out in an Italian iron ore sintering plant by sampling the combustion gases at the electrostatic precipitator (ESP) outlet, at the Wetfine scrubber (WS) outlet, and by collecting the ESP dust. Few data are available on these micropollutants produced in iron ore sintering plants, particularly from Italian plants. This study investigates the PAH emission profiles and the removal efficiency of ESPs and WS. PAHs were determined at the stack, ESP outlet flue gases, and in ESP dust to characterize the emission profiles and the performance of the ESP and the WS for reducing PAH emission. The 11 PAHs monitored are listed in the Italian legislative decree 152/2006. The mean total PAH sum concentration in the stack flue gases is 3.96 {mu}g/N m{sup 3}, in ESP outlet flue gases is 9.73 {mu}g/N m{sup 3}, and in ESP dust is 0.53 {mu}g/g. Regarding the emission profiles, the most abundant compound is benzo(b)fluoranthene, which has a relative low BaP toxic equivalency factors (TEF) value, followed by dibenzo(a,l)pyrene, which has a very high BaP(TEF) value. The emission profiles in ESP dust and in the flue gases after the ESP show some changes, whereas the fingerprint in ESP and stack flue gases is very similar. The removal efficiency of the ESP and of WS on the total PAH concentration is 5.2 and 59.5%, respectively. 2 figs., 5 tabs.

  4. Distribution of Polycyclic Aromatic Hydrocarbons in Soils and Terrestrial Biota After a Spill of Crude Oil in Trecate, Italy

    SciTech Connect (OSTI)

    Brandt, Charles A. ); Becker, James M. ); Porta, Augusto C.

    2001-12-01

    Following a large blowout of crude oil in northern Italy in 1994, the distribution of polyaromatic hydrocarbons (PAHs) was examined over time and space in soils, uncultivated wild vegetation, insects, mice, and frogs in the area. Within 2 y of the blowout, PAH concentrations declined to background levels over much of the area where initial concentrations were within an order of magnitude above background, but had not declined to background in areas where starting concentrations exceeded background by two orders of magnitude. Octanol-water partitioning and extent of alkylation explained much of the variance in uptake of PAHs by plants and animals. Lower Kow PAHs and higher-alkylated PAHs had higher soil-to-biota accumulation factors (BSAFs) than did high-Kow and unalkylated forms. BSAFs for higher Kow PAHs were very low for plants, but much higher for animals, with frogs accumulating more of these compounds than other species.

  5. Photo-assisted intersystem crossing: The predominant triplet formation mechanism in some isolated polycyclic aromatic molecules excited with pulsed lasers

    SciTech Connect (OSTI)

    Johnson, Philip M.; Sears, Trevor J.

    2015-07-28

    Naphthalene, anthracene, and phenanthrene are shown to have very long-lived triplet lifetimes when the isolated molecules are excited with nanosecond pulsed lasers resonant with the lowest singlet state. For naphthalene, triplet state populations are created only during the laser pulse, excluding the possibility of normal intersystem crossing at the one photon level, and all molecules have triplet lifetimes greater than hundreds of microseconds, similar to the behavior previously reported for phenylacetylene. Although containing 7–12 thousand cm⁻¹ of vibrational energy, the triplet molecules have ionization thresholds appropriate to vibrationless T₁ states. The laser power dependences (slopes of log-log power plots) of the excited singlet and triplet populations are about 0.7 for naphthalene and about 0.5 for anthracene. Kinetic modeling of the power dependences successfully reproduces the experimental results and suggests that the triplet formation mechanism involves an enhanced spin orbit coupling caused by sigma character in states at the 2-photon level. Symmetry Adapted Cluster-Configuration Interaction calculations produced excited state absorption spectra to provide guidance for estimating kinetic rates and the sigma character present in higher electronic states. It is concluded that higher excited state populations are significant when larger molecules are excited with pulsed lasers and need to be taken into account whenever discussing the molecular photodynamics.

  6. 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.

  7. 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.

  8. Photo-assisted intersystem crossing: The predominant triplet formation mechanism in some isolated polycyclic aromatic molecules excited with pulsed lasers

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

    Johnson, Philip M.; Sears, Trevor J.

    2015-07-28

    Naphthalene, anthracene, and phenanthrene are shown to have very long-lived triplet lifetimes when the isolated molecules are excited with nanosecond pulsed lasers resonant with the lowest singlet state. For naphthalene, triplet state populations are created only during the laser pulse, excluding the possibility of normal intersystem crossing at the one photon level, and all molecules have triplet lifetimes greater than hundreds of microseconds, similar to the behavior previously reported for phenylacetylene. Although containing 7–12 thousand cm⁻¹ of vibrational energy, the triplet molecules have ionization thresholds appropriate to vibrationless T₁ states. The laser power dependences (slopes of log-log power plots) ofmore » the excited singlet and triplet populations are about 0.7 for naphthalene and about 0.5 for anthracene. Kinetic modeling of the power dependences successfully reproduces the experimental results and suggests that the triplet formation mechanism involves an enhanced spin orbit coupling caused by sigma character in states at the 2-photon level. Symmetry Adapted Cluster-Configuration Interaction calculations produced excited state absorption spectra to provide guidance for estimating kinetic rates and the sigma character present in higher electronic states. It is concluded that higher excited state populations are significant when larger molecules are excited with pulsed lasers and need to be taken into account whenever discussing the molecular photodynamics.« less

  9. Dry-thermophilic anaerobic digestion of organic fraction of municipal solid waste: Methane production modeling

    SciTech Connect (OSTI)

    Fdez-Gueelfo, L.A.; Alvarez-Gallego, C.; Sales, D.; Romero Garcia, L.I.

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer Methane generation may be modeled by means of modified product generation model of Romero Garcia (1991). Black-Right-Pointing-Pointer Organic matter content and particle size influence the kinetic parameters. Black-Right-Pointing-Pointer Higher organic matter content and lower particle size enhance the biomethanization. - Abstract: The influence of particle size and organic matter content of organic fraction of municipal solid waste (OFMSW) in the overall kinetics of dry (30% total solids) thermophilic (55 Degree-Sign C) anaerobic digestion have been studied in a semi-continuous stirred tank reactor (SSTR). Two types of wastes were used: synthetic OFMSW (average particle size of 1 mm; 0.71 g Volatile Solids/g waste), and OFMSW coming from a composting full scale plant (average particle size of 30 mm; 0.16 g Volatile Solids/g waste). A modification of a widely-validated product-generation kinetic model has been proposed. Results obtained from the modified-model parameterization at steady-state (that include new kinetic parameters as K, Y{sub pMAX} and {theta}{sub MIN}) indicate that the features of the feedstock strongly influence the kinetics of the process. The overall specific growth rate of microorganisms ({mu}{sub max}) with synthetic OFMSW is 43% higher compared to OFMSW coming from a composting full scale plant: 0.238 d{sup -1} (K = 1.391 d{sup -1}; Y{sub pMAX} = 1.167 L CH{sub 4}/gDOC{sub c}; {theta}{sub MIN} = 7.924 days) vs. 0.135 d{sup -1} (K = 1.282 d{sup -1}; Y{sub pMAX} = 1.150 L CH{sub 4}/gDOC{sub c}; {theta}{sub MIN} = 9.997 days) respectively. Finally, it could be emphasized that the validation of proposed modified-model has been performed successfully by means of the simulation of non-steady state data for the different SRTs tested with each waste.

  10. Process Limits

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

    0 0 file size (blocks) unlimited unlimited pending signals 4199424 4199424 max locked memory (kbytes) 32 32 max memory size (kbytes) unlimited unlimited open files 1024 1024 pipe...

  11. Rates and Mechanisms of Oil Shale Pyrolysis: A Chemical Structure Approach

    SciTech Connect (OSTI)

    Fletcher, Thomas; Pugmire, Ronald

    2015-01-01

    Three pristine Utah Green River oil shale samples were obtained and used for analysis by the combined research groups at the University of Utah and Brigham Young University. Oil shale samples were first demineralized and the separated kerogen and extracted bitumen samples were then studied by a host of techniques including high resolution liquid-state carbon-13 NMR, solid-state magic angle sample spinning 13C NMR, GC/MS, FTIR, and pyrolysis. Bitumen was extracted from the shale using methanol/dichloromethane and analyzed using high resolution 13C NMR liquid state spectroscopy, showing carbon aromaticities of 7 to 11%. The three parent shales and the demineralized kerogens were each analyzed with solid-state 13C NMR spectroscopy. Carbon aromaticity of the kerogen was 23-24%, with 10-12 aromatic carbons per cluster. Crushed samples of Green River oil shale and its kerogen extract were pyrolyzed at heating rates from 1 to 10 K/min at pressures of 1 and 40 bar and temperatures up to 1000°C. The transient pyrolysis data were fit with a first-order model and a Distributed Activation Energy Model (DAEM). The demineralized kerogen was pyrolyzed at 10 K/min in nitrogen at atmospheric pressure at temperatures up to 525°C, and the pyrolysis products (light gas, tar, and char) were analyzed using 13C NMR, GC/MS, and FTIR. Details of the kerogen pyrolysis have been modeled by a modified version of the chemical percolation devolatilization (CPD) model that has been widely used to model coal combustion/pyrolysis. This refined CPD model has been successful in predicting the char, tar, and gas yields of the three shale samples during pyrolysis. This set of experiments and associated modeling represents the most sophisticated and complete analysis available for a given set of oil shale samples.

  12. System, apparatus and methods to implement high-speed network analyzers

    DOE Patents [OSTI]

    Ezick, James; Lethin, Richard; Ros-Giralt, Jordi; Szilagyi, Peter; Wohlford, David E

    2015-11-10

    Systems, apparatus and methods for the implementation of high-speed network analyzers are provided. A set of high-level specifications is used to define the behavior of the network analyzer emitted by a compiler. An optimized inline workflow to process regular expressions is presented without sacrificing the semantic capabilities of the processing engine. An optimized packet dispatcher implements a subset of the functions implemented by the network analyzer, providing a fast and slow path workflow used to accelerate specific processing units. Such dispatcher facility can also be used as a cache of policies, wherein if a policy is found, then packet manipulations associated with the policy can be quickly performed. An optimized method of generating DFA specifications for network signatures is also presented. The method accepts several optimization criteria, such as min-max allocations or optimal allocations based on the probability of occurrence of each signature input bit.

  13. Ocean Carbon Cycle Models from the Carbon Dioxide Information Analysis Center (CDIAC)

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

    \tPacific data-model intercomparison from Patrick Wetzel (Max Planck Institute for Meteorology, Germany)

  14. Photoluminescence spectroscopy of YVO{sub 4}:Eu{sup 3+} nanoparticles with aromatic linker molecules: A precursor to biomedical functionalization

    SciTech Connect (OSTI)

    Senty, T. R.; Yalamanchi, M.; Cushing, S. K.; Seehra, M. S.; Bristow, A. D.; Zhang, Y.; Shi, X.

    2014-04-28

    Photoluminescence spectra of YVO{sub 4}:Eu{sup 3+} nanoparticles are presented, with and without the attachment of organic molecules that are proposed for linking to biomolecules. YVO{sub 4}:Eu{sup 3+} nanoparticles with 5% dopant concentration were synthesized via wet chemical synthesis. X-ray diffraction and transmission electron microscopy show the expected wakefieldite structure of tetragonal particles with an average size of 17?nm. Fourier-transform infrared spectroscopy determines that metal-carboxylate coordination is successful in replacing native metal-hydroxyl bonds with three organic linkers, namely, benzoic acid, 3-nitro 4-chloro-benzoic acid, and 3,4-dihydroxybenzoic acid, in separate treatments. UV-excitation photoluminescence spectra show that the position and intensity of the dominant {sup 5}D{sub 0} {sup 7}F{sub 2} electric-dipole transition at 619?nm are unaffected by the benzoic acid and 3-nitro 4-chloro-benzoic acid treatments. Attachment of 3,4-dihydroxybenzoic acid produces an order-of-magnitude quenching in the photoluminescence, due to the presence of high-frequency vibrational modes in the linker. Ratios of the dominant electric- and magnetic-dipole transitions confirm infrared measurements, which indicate that the bulk crystal of the nanoparticle is unchanged by all three treatments.

  15. Pulmonary metabolism of dibenz(a,j)acridine: a carcinogenic heterocyclic aromatic. Technical progress report, September 1, 1982-September 30, 1983

    SciTech Connect (OSTI)

    Warshawsky, D.

    1983-10-31

    Dibenz(a,j)acridine (D(a,j)A) is metabolized by rat liver microsomes which results in the formation of seven major metabolites. Under the present conditions of the microsomal assay, 55% of D(a,j)A is metabolized by corn oil induced microsomes in 30 minutes, whereas 80% of D(a,j)A is metabolized by 3MC induced microsomes in 60 minutes. In the presence of the 3MC induced microsomes, a metabolite in fraction 19 is produced very rapidly and disappears linearly over 60 minutes. Of the major metabolites of D(a,j)A produced by microsomal incubations metabolites in fractions 11-12, 13 and 19 are possibly the 5,6-dihydrodiol of D(a,j)A, definitely the 3,4-dihydrodiol of D(a,j)A and a phenol or epoxide respectively. BaP pretreatment of the New Zealand white rabbits doubles the rate of appearance of the metabolites of D(a,j)A in the blood in the IPL. With or without pretreatment, the major metabolites are found in fractions 13 and 19 with 70 to 80% of the activity present in the nonextractable fraction. At the end of the perfusion 50% of the D(a,j)A remains in the IPL following BaP pretreatment as compared to 72% without pretreatment. This increased rate of metabolism due to BaP pretreatment results in the appearance of more conjugated metabolites at the end of the perfusion in the mercaptan fraction.

  16. Use of aromatic salts for simultaneously removing SO.sub.2 and NO.sub.x pollutants from exhaust of a combustion system

    DOE Patents [OSTI]

    Levendis, Yiannis A.; Wise, Donald L.

    1994-10-04

    A method is disclosed for removing pollutants from the exhaust of combustion systems burning fuels containing substantial amounts of sulfur and nitrogen. An exemplary method of the invention involves the formation and reaction of a sorbent comprising calcium benzoate. The calcium benzoate is either dry-sprayed (in the form of a fine powder) or wet-sprayed in an aqueous solution in a high temperature environment such as a combustion chamber. The latter technique is feasible since calcium benzoate is a water-soluble form of calcium. When the dispersed particles of calcium benzoate are heated to a high temperature, the organic benzoate burns off and fine calcium oxide particles are formed. These particles are cenospheric (hollow) and have thin and highly porous walls, thus, affording optimum external and internal accessibility for reacting with toxic gaseous emissions such as SO.sub.2. Further, the combustion of the organic benzoate portion of the sorbent results in the conversion of NO.sub.x to N.sub.2.

  17. 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)

  18. 3D electromagnetic inversion for environmental site characterization

    SciTech Connect (OSTI)

    Alumbaugh, D.L.; Newman, G.A.

    1997-04-01

    A 3-D non-linear electromagnetic inversion scheme has been developed to produce images of subsurface conductivity structure from electromagnetic geophysical data. The solution is obtained by successive linearized model updates where full forward modeling is employed at each iteration to compute model sensitivities and predicted data. Regularization is applied to the problem to provide stability. Because the inverse part of the problem requires the solution of 10`s to 100`s of thousands of unknowns, and because each inverse iteration requires many forward models to be computed, the code has been implemented on massively parallel computer platforms. The use of the inversion code to image environmental sites is demonstrated on a data set collected with the Apex Parametrics {open_quote}MaxMin I-8S{close_quote} over a section of stacked barrels and metal filled boxes at the Idaho National Laboratory`s {open_quote}Cold Test Pit{close_quote}. The MaxMin is a loop-loop frequency domain system which operates from 440 Hz up to 56 kHz using various coil separations; for this survey coil separations of 15, 30 and 60 feet were employed. The out-of phase data are shown to be of very good quality while the in-phase are rather noisy due to slight mispositioning errors, which cause improper cancellation of the primary free space field in the receiver. Weighting the data appropriately by the estimated noise and applying the inversion scheme is demonstrated to better define the structure of the pit. In addition, comparisons are given for single coil separations and multiple separations to show the benefits of using multiple offset data.

  19. Ga, Ca, and 3d transition element (Cr through Zn) partitioning among spinel-lherzolite phases from the Lanzo massif, Italy: Analytical results and crystal chemistry

    SciTech Connect (OSTI)

    Wogelius, R.A.; Fraser, D.G.

    1994-06-01

    Ultramafic rocks exposed in Lanzo massif, Italy is a record of mantle geochemistry, melting, sub-solidus re-equilibration. Plagioclase(+ spinel)-lherzolite samples were analyzed by Scanning Proton Microscopy, other techniques. Previous work postulated partial melting events and a two-stage sub-solidus cooling history; this paper notes Ga enrichment on spinel-clinopyroxene grain boundaries, high Ga and transition element content of spinel, and pyroxene zonation in Ca and Al. Trace element levels in olivine and orthopyroxene are also presented. Zoning trends are interpreted as due to diffusion during cooling. Olivine-clinopyroxene Cr and Ca exchange as well as clinopyroxene and spinel zonation trends indicate that the massif experienced at least two sub-solidus cooling episodes, one at 20 kbar to 1000 C and one at 8 kbar <750C. Ga levels in cores of Lanzo high-Cr spinels are high (82-66 ppM) relative to other mantle spinels (66-40 ppM), indicating enrichment. Ga content of ultramafic spinels apparently increases with Cr content; this may be due to: increased Ga solubility stemming from crystal chemical effects and/or higher Ga activities in associated silicate melts. Thus, during melting, high-Cr residual spinel may tend to buffer solid-phase Ga level. These spinels are not only rich in Ga and Cr (max 26.37 el. wt %), but also in Fe (max 21.07 el. wt %), Mn (max 3400 ppM), and Zn (max 2430 ppM). These enrichments are again due to melt extraction and partitioning into spinel structure. Low Ni (min 1050 ppM) levels are due to unsuccessful competition of Ni with Cr for octahedral structural sites caused by crystal field. Comparisons of change in partitioning vs Cr content among several 3d transition elements for spinels from Lanzo, other localities allow us to separate crystal field effects from bulk chemical effects and to show that in typical assemblages, inversion of olivine-spinel partition coefficient for Ni from <1 to >1 should occur at 11% el. wt. Cr in spinel.

  20. Characterization of heavy oil by capillary supercritical fluid chromatography

    SciTech Connect (OSTI)

    Fuhr, B.J.; Holloway, L.R.; Reichert, C.

    1988-06-01

    The characterization of heavy oils and bitumen produced by thermal recovery methods may aid in bringing about the following benefits: improved recovery methods, promotion of upgrading in the reservoir, improved emulsion treatment and optimized use of diluent for transportation. Because of the high proportion of nonvolatile compounds in heavy oils, gas chromatography (GC) is not particularly useful for characterization purposes. High performance liquid chromatography, while capable of analyzing a larger proportion of the nonvolatiles, possesses considerably less resolution than GC. By utilizing mobile phases in their supercritical region it is possible to study compounds that cannot be vaporized for GC analysis, yet still attain the resolution approaching that of GC. Another advantage of supercritical fluid chromatography (SFC) with the commonly used mobile phase CO/sub 2/, is the ability to employ the flame ionization detector (FID) which provides a uniform response over a wide range of compound types. SFC methods used on packed columns are excellent for low resolution separations into hydrocarbon group types and can produce data in about 5 to 15 min. A number of workers have described the use of packed silica columns for the separation and quantitation of saturate and aromatic component types in gasolines and middle distillate fuels, and of saturates, aromatics and polars in high boiling residues. In these studies the mobile phase was CO/sub 2/ and the detector was the FID. Campbell and Lee reported a semi-preparative SFC method using a packed, amino-modified silica column for the separation of aromatics according to the number of rings in a coal tar and a solved refined coal heavy distillate.

  1. Characterization of chars from coal-tire copyrolysis

    SciTech Connect (OSTI)

    Mastral, A.M.; Callen, M.S.; Murillo, R.; Alvarez, R.; Clemente, C.

    1999-07-01

    The objective of this work is the characterization of the solid conversion product from coal-tire copyrolysis because, nowadays, any new process should be faced without resolving the problem of the subproducts generated. A low-rank coal and a nonspecific mixture of scrap automotive tires, 50/50 w/w, have been coprocessed at 400 C for 30 min at different H{sub 2} pressures and atmospheres. Once the most valuable conversion products, the liquids, were recovered by tetrahydrofuran extraction, a complementary battery of analytical techniques was applied to characterize the solids or chars, looking for their possible use. {sup 13}C nuclear magnetic resonance, infrared, immediate and ultimate analyses, ASA, and scanning electron microscopy-energy-dispersive X-ray spectrometry were performed on them. By X-ray diffractometry the presence of sphalerite, pyrrhotite, and anhydrite was detected. Thermogravimetric studies demonstrated that the combustion induction temperature is 400 C. Char combustion tests at 900 C with discussion of NO{sub x}, SO{sub x}, and polycyclic aromatic hydrocarbon emissions are included. Mineral matter behaves as if only coal is processed with the Zn exception, from ZnO in the tire, which is converted into ZnS. It is shown that the char organic component has a higher aromaticity than the one from coal.

  2. Comparison of prone versus supine 18F-FDG-PET of locally advanced breast cancer: Phantom and preliminary clinical studies

    SciTech Connect (OSTI)

    Williams, Jason M.; Rani, Sudheer D.; Li, Xia; Whisenant, Jennifer G.; Abramson, Richard G.; Arlinghaus, Lori R.; Lee, Tzu-Cheng; MacDonald, Lawrence R.; Partridge, Savannah C.; Kang, Hakmook; Linden, Hannah M.; Kinahan, Paul E.; Yankeelov, Thomas E.

    2015-07-15

    Purpose: Previous studies have demonstrated how imaging of the breast with patients lying prone using a supportive positioning device markedly facilitates longitudinal and/or multimodal image registration. In this contribution, the authors primary objective was to determine if there are differences in the standardized uptake value (SUV) derived from [{sup 18}F]fluorodeoxyglucose (18F-FDG) positron emission tomography (PET) in breast tumors imaged in the standard supine position and in the prone position using a specialized positioning device. Methods: A custom positioning device was constructed to allow for breast scanning in the prone position. Rigid and nonrigid phantom studies evaluated differences in prone and supine PET. Clinical studies comprised 18F-FDG-PET of 34 patients with locally advanced breast cancer imaged in the prone position (with the custom support) followed by imaging in the supine position (without the support). Mean and maximum values (SUV{sub peak} and SUV{sub max}, respectively) were obtained from tumor regions-of-interest for both positions. Prone and supine SUV were linearly corrected to account for the differences in 18F-FDG uptake time. Correlation, BlandAltman, and nonparametric analyses were performed on uptake time-corrected and uncorrected data. Results: SUV from the rigid PET breast phantom imaged in the prone position with the support device was 1.9% lower than without the support device. In the nonrigid PET breast phantom, prone SUV with the support device was 5.0% lower than supine SUV without the support device. In patients, the median (range) difference in uptake time between prone and supine scans was 16.4 min (13.430.9 min), which was significantlybut not completelyreduced by the linear correction method. SUV{sub peak} and SUV{sub max} from prone versus supine scans were highly correlated, with concordance correlation coefficients of 0.91 and 0.90, respectively. Prone SUV{sub peak} and SUV{sub max} were significantly lower than supine in both original and uptake time-adjusted data across a range of index times (P < < 0.0001, Wilcoxon signed rank test). Before correcting for uptake time differences, BlandAltman analyses revealed proportional bias between prone and supine measurements (SUV{sub peak} and SUV{sub max}) that increased with higher levels of FDG uptake. After uptake time correction, this bias was significantly reduced (P < 0.01). Significant prone-supine differences, with regard to the spatial distribution of lesions relative to isocenter, were observed between the two scan positions, but this was poorly correlated with the residual (uptake time-corrected) prone-supine SUV{sub peak} difference (P = 0.78). Conclusions: Quantitative 18F-FDG-PET/CT of the breast in the prone position is not deleteriously affected by the support device but yields SUV that is consistently lower than those obtained in the standard supine position. SUV differences between scans arising from FDG uptake time differences can be substantially reduced, but not removed entirely, with the current correction method. SUV from the two scan orientations is quantitatively different and should not be assumed equivalent or interchangeable within the same subject. These findings have clinical relevance in that they underscore the importance of patient positioning while scanning as a clinical variable that must be accounted for with longitudinal PET measurement, for example, in the assessment of treatment response.

  3. Arylene-fluorinated-sulfonimide ionomers and membranes for fuel cells

    DOE Patents [OSTI]

    Teasley, Mark F.

    2011-11-15

    The preparation of aromatic sulfonimide polymers useful as membranes in electrochemical cells is described.

  4. Job Scheduling Policies on Cooley | Argonne Leadership Computing...

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

    Max. running jobs per user: 10 Max. node-hours (queued and running): 1488 Priority: FIFO -- (jobs are run in order, with small, short jobs run on any otherwise-free nodes) In...

  5. Twist Solves Bilayer Graphene Mystery

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

    der Max-Planck-Gesellschaft, Germany). Research funding: U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES); the National Research Foundation of Korea; the Max...

  6. Advanced Technology Vehicle Lab Benchmarking - Level 1

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

    ... C-max Hybrid Ford C-max Energi Mitsubishi I-MiEV Nissan Leaf Ford Fusion Energi Ford Focus Electric Smart Fortwo ED Dodge Ram Idle Stop Honda Accord PHEV AVTA Test Cars Level 1 ...

  7. The 60-month all-sky BAT Survey of AGN and the Anisotropy of...

    Office of Scientific and Technical Information (OSTI)

    Garching, Max Planck Inst., MPE ; Madejski, G.M. ; KIPAC, Menlo Park ; Gehrels, N. ; NASA, Goddard ; Burlon, D. ; Garching, Max Planck Inst., MPE Publication Date: 2012-04-02...

  8. Microsoft Word - ITSI award doc 06-D0008 conformed to P00001...

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

    87 Section B - Supplies or Services and Prices ITEM NO SUPPLIESSERVICES MAX QUANTITY UNIT UNIT PRICE MAX AMOUNT 0001 1 Lump Sum 226,000,000.00 226,000,000.00 EST Firm Fixed...

  9. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Filter by Author Gunzburger, Max D (7) Webster, Clayton G (6) Zhang, Guannan (5) Gunzburger, Max D ORNL (4) Webster, Clayton G ORNL (4) Zhang, Guannan ORNL (4) Lu, Dan (2) ...

  10. Open Issues

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

    September 2014 runtime error message: "apsched: request exceeds max nodes, alloc" September 1

  11. Ocean Carbon Cycle Models from the Carbon Dioxide Information Analysis Center (CDIAC)

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

    •\tPacific data-model intercomparison from Patrick Wetzel (Max Planck Institute for Meteorology, Germany)

  12. Microsoft Word - Final Industrial Documentation AEO2008 _6-12...

    Gasoline and Diesel Fuel Update (EIA)

    factors are multiplicative for all fuels which have values greater than zero and are additive otherwise. ( ) ( ) ( ) ( ) ( ) ( ) - - - max...

  13. CAMD Nanofabrication Links

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

    Infrastructure :: News :: Related sites National Nanotechnology Initiative Nano Technology Industries Advanced Materials Research Institute Institute of Physics Max-Planck...

  14. TU-F-12A-04: Differential Radiation Avoidance of Functional Liver Regions Defined by 99mTc-Sulfur Colloid SPECT/CT with Proton Therapy

    SciTech Connect (OSTI)

    Bowen, S; Miyaoka, R; Kinahan, P; Sandison, G; Vesselle, H; Nyflot, M; Apisarnthanarax, S; Saini, J; Wong, T

    2014-06-15

    Purpose: Radiotherapy for hepatocellular carcinoma patients is conventionally planned without consideration of spatial heterogeneity in hepatic function, which may increase risk of radiation-induced liver disease. Pencil beam scanning (PBS) proton radiotherapy (pRT) plans were generated to differentially decrease dose to functional liver volumes (FLV) defined on [{sup 99m}Tc]sulfur colloid (SC) SPECT/CT images (functional avoidance plans) and compared against conventional pRT plans. Methods: Three HCC patients underwent SC SPECT/CT scans for pRT planning acquired 15 min post injection over 24 min. Images were reconstructed with OSEM following scatter, collimator, and exhale CT attenuation correction. Functional liver volumes (FLV) were defined by liver:spleen uptake ratio thresholds (43% to 90% maximum). Planning objectives to FLV were based on mean SC SPECT uptake ratio relative to GTV-subtracted liver and inversely scaled to mean liver dose of 20 Gy. PTV target coverage (V{sub 95}) was matched between conventional and functional avoidance plans. PBS pRT plans were optimized in RayStation for single field uniform dose (SFUD) and systematically perturbed to verify robustness to uncertainty in range, setup, and motion. Relative differences in FLV DVH and target dose heterogeneity (D{sub 2}-D{sub 98})/D50 were assessed. Results: For similar liver dose between functional avoidance and conventional PBS pRT plans (D{sub mean}?5% difference, V{sub 18Gy}?1% difference), dose to functional liver volumes were lower in avoidance plans but varied in magnitude across patients (FLV{sub 70%max} D{sub mean}?26% difference, V{sub 18Gy}?8% difference). Higher PTV dose heterogeneity in avoidance plans was associated with lower functional liver dose, particularly for the largest lesion [(D{sub 2}-D{sub 98})/D{sub 50}=13%, FLV{sub 90%max}=50% difference]. Conclusion: Differential avoidance of functional liver regions defined on sulfur colloid SPECT/CT is feasible with proton therapy. The magnitude of benefit appears to be patient specific and dependent on tumor location, size, and proximity to functional volumes. Further investigation in a larger cohort of patients may validate the clinical utility of functional avoidance planning of HCC radiotherapy.

  15. Hopper Featured Announcements

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

    August 2012 high thruput queue now available on Hopper August 30, 2012 by Helen He A new batch queue named "thruput" has been implemented on Hopper to support the increased high throughput computing needs from the user community. The queue limits for this queue are as follows: -- max wall time is 168 hrs -- max node count is 2 (max core count is 48) -- max queue-able jobs per user is 500 -- max running jobs from all users in this queue is 500 -- has same priority as of the

  16. high thruput queue now available on Hopper

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

    high thruput queue now available on Hopper high thruput queue now available on Hopper August 30, 2012 by Helen He A new batch queue named "thruput" has been implemented on Hopper to support the increased high throughput computing needs from the user community. The queue limits for this queue are as follows: -- max wall time is 168 hrs -- max node count is 2 (max core count is 48) -- max queue-able jobs per user is 500 -- max running jobs from all users in this queue is 500 -- has same

  17. Solvent extraction of thorium(IV), uranium(VI), and europium(III) with lipophilic alkyl-substituted pyridinium salts. Final report for subcontract 9-XZ2-1123E-1, June 1, 1992--December 1, 1995

    SciTech Connect (OSTI)

    Ensor, D.D.

    1997-01-01

    In the treatment of high level nuclear wastes, aromatic pyridinium salts which are radiation-resistant are desired for the extraction of actinides and lanthanides. The solvent extraction of Th{sup +4}, UO{sub 2}{sup +2}, and Eu{sup +3} by three aromatic extractants, 3,5-didodecylpyridinium nitrate (35PY), 2,6-didodecylpyridinium nitrate (26PY), and 1-methyl-3,5-didodecyl-pyridinium iodide (1M35PY) has been studied in nitric acid media. The general order of extractability of the three extractants in toluene was 1M35PY>> 26PY > 35PY. The overall extraction efficiency of the metal ions was Th{sup +4} >UO{sub 2}{sup +2} > Eu{sup +3}. The extraction of HNO{sub 3}, which was competitive with the extraction of metal ions, was quantitatively investigated by NaOH titration and UV spectrometry. The loading capacity suggested that the extracted species in the organic phase for thorium was (R{sub 4}N{sup +}){sub 2}Th(NO{sub 3}{sup -}){sub 6}, where R{sub 4}N{sup +} denotes 1M35PY. A comparison of 1M35PY to the well-characterized extractant, Aliquat-336, an aliphatic ammonium salt was made. At the same extractant concentration, 1M35PY extracted thorium more efficiently than Aliquat-336 at high acidity. Thorium could be readily stripped with dilute nitric acid from 1M35PY. After irradiation of 0.1M 1M35PY with {sup 60}Co at 40R/min for 48 hours, no change in the extraction efficiency of thorium was observed.

  18. Comparison of extracellular cellulase activities of ClosTridium thermocellum LQRI and trichoderma reesei QM9414

    SciTech Connect (OSTI)

    Ng, T.K.; Zeikus, J.G.

    1981-08-01

    The crude extracellular cellulase of Clostridium thermocellum LQRI (virgin strain) was very active and solubilized microcrystalline cellulose at one-half the rate observed for the extracellular cellulase of Trichoderma reesei QM9414 (mutant strain). Clostridium thermocellum cellulase activity differed considerably from that of Trichoderma reesei as follows: higher endoglucanase/exoglucanase activity ratio; absence of extracellular cellobiase or beta-xylosidase activity; long-chain oligosaccharides instead of short-chain oligosaccharides as initial (15-min) hydrolytic products on microcrystalline cellulose; mainly cellobiose or xylobiose as long-term (24-h) hydrolysis products of Avicel and MN300 or xylan; and high activity and stability at 60 to 70 degrees Celcius. Under optimized reaction conditions, the kinetic properties (V max, 0.4 mu mol/min per mg of protein; energy of activation, 33 kJ; temperature coefficient, 1.8) of Clostridium thermocellum cellulose-solubilizing activity were comparable to those reported for Trichoderma reesei, except that the dyed Avicel concentration at half-maximal velocity was twofold higher (182 mu M). The cellulose-solubilizing activity of the two crude cellulases differed considerably in response to various enzyme inhibitors. Most notably, Ag/sup 2 +/ and Hg/sup 2 +/ effectively inhibited Clostridium thermocellum but not Trichoderma reesei cellulase at less than 20 mu M, whereas Ca/sup 2 +/, Mg/sup 2 +/, and Mn/sup 2 +/ inhibited Trichoderma reesei but not Clostridium thermocellum cellulase at greater than 10 mM. Both enzymes were inhibited by Cu/sup 2 +/ (greater than 20 mM), Zn2+ (greater than 10 mM), and ethylene glycol-bis (beta-aminoethyl ether)-N, N-tetraacetic acid (greater than 10 mM). The overal rates of cellooligosaccharide degradation were higher for Trichoderma reesei than for Clostridium thermocellum cellulase, except that the rates of conversion of cellohexaose to cellotrisse were equivalent.

  19. Bandwidth provisioning in infrastructure-based wireless networks employing directional antennas

    SciTech Connect (OSTI)

    Hasiviswanthan, Shiva; Zhao, Bo; Vasudevan, Sudarshan; Yrgaonkar, Bhuvan

    2009-01-01

    Motivated by the widespread proliferation of wireless networks employing directional antennas, we study the problem of provisioning bandwidth in such networks. Given a set of subscribers and one or more access points possessing directional antennas, we formalize the problem of orienting these antennas in two fundamental settings: (1) subscriber-centric, where the objective is to fairly allocate bandwidth among the subscribers and (2) provider-centric, where the objective is to maximize the revenue generated by satisfying the bandwidth requirements of subscribers. For both the problems, we first design algorithms for a network with only one access point working under the assumption that the number of antennas does not exceed the number of noninterfering channels. Using the well-regarded lexicographic max-min fair allocation as the objective for a subscriber-centric network, we present an optimum dynamic programming algorithm. For a provider-centric network, the allocation problem turns out to be NP-hard. We present a greedy heuristic based algorithm that guarantees almost half of the optimum revenue. We later enhance both these algorithms to operate in more general networks with multiple access points and no restrictions on the relative numbers of antennas and channels. A simulation-based evaluation using OPNET demonstrates the efficacy of our approaches and provides us further in insights into these problems.

  20. Anisotropic hot deformed magnets prepared from Zn-coated MRE-Fe-B ribbon powder (MRE?=?Nd?+?Y?+?Dy)

    SciTech Connect (OSTI)

    Tang, W; Zhou, L; Sun, K W; Dennis, K W; Kramer, M J; Anderson, I E; McCallum, R W

    2014-05-07

    Milled melt-spun ribbon flake of MRE-Fe-B coated with Zn coating using a vapor transport technique was found to have significant increase in coercivity without degrading the magnetization when the Zn thickness and heat treatment were optimized. Magnetic measurements show that 0.51?wt.?% Zn coating increases the coercivity about 1?kOe over the initial ribbon powder. After vacuum hot deformation (VHD), the VHD magnet with Zn coating of 0.5?wt.?% results in a nearly 3?kOe higher coercivity than an un-coated alloy magnet. An optimized VHD magnet with 0.5?wt.?% Zn coating obtains a coercivity of 11.2?kOe and (BH)max of 23.0 MGOe, respectively. SEM and TEM microstructures analysis demonstrates that the Zn coating on the surface of ribbon powder has diffused along the intergranular boundaries after the ribbon powder was annealed at 750?C for 30?min or was hot deformed at 700750?C.

  1. A study of the energy dependence of the underlying event in proton-antiproton collisions

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

    Aaltonen, T.

    2015-11-23

    We study charged particle production (pT > 0.5 GeV/c, |η| < 0.8) in proton-antiproton collisions at 300 GeV, 900 GeV, and 1.96 TeV. We use the direction of the charged particle with the largest transverse momentum in each event to define three regions of η-Φspace; “toward”, “away”, and “transverse”. Furthermore, the average number and the average scalar pT sum of charged particles in the transverse region are sensitive to the modeling of the “underlying event”. The transverse region is divided into a MAX and MIN transverse region, which helps separate the “hard component” (initial and final-state radiation) from the “beam-beammore » remnant” and multiple parton interaction components of the scattering. We found that the center-of-mass energy dependence of the various components of the event are studied in detail. The data presented here can be used to constrain and improve QCD Monte Carlo models, resulting in more precise predictions at the LHC energies of 13 and 14 TeV.« less

  2. A study of the energy dependence of the underlying event in proton-antiproton collisions

    SciTech Connect (OSTI)

    Aaltonen, T.

    2015-11-23

    We study charged particle production (pT > 0.5 GeV/c, |?| < 0.8) in proton-antiproton collisions at 300 GeV, 900 GeV, and 1.96 TeV. We use the direction of the charged particle with the largest transverse momentum in each event to define three regions of ?-?space; toward, away, and transverse. Furthermore, the average number and the average scalar pT sum of charged particles in the transverse region are sensitive to the modeling of the underlying event. The transverse region is divided into a MAX and MIN transverse region, which helps separate the hard component (initial and final-state radiation) from the beam-beam remnant and multiple parton interaction components of the scattering. We found that the center-of-mass energy dependence of the various components of the event are studied in detail. The data presented here can be used to constrain and improve QCD Monte Carlo models, resulting in more precise predictions at the LHC energies of 13 and 14 TeV.

  3. Grid artifact reduction for direct digital radiography detectors based on rotated stationary grids with homomorphic filtering

    SciTech Connect (OSTI)

    Kim, Dong Sik; Lee, Sanggyun

    2013-06-15

    Purpose: Grid artifacts are caused when using the antiscatter grid in obtaining digital x-ray images. In this paper, research on grid artifact reduction techniques is conducted especially for the direct detectors, which are based on amorphous selenium. Methods: In order to analyze and reduce the grid artifacts, the authors consider a multiplicative grid image model and propose a homomorphic filtering technique. For minimal damage due to filters, which are used to suppress the grid artifacts, rotated grids with respect to the sampling direction are employed, and min-max optimization problems for searching optimal grid frequencies and angles for given sampling frequencies are established. The authors then propose algorithms for the grid artifact reduction based on the band-stop filters as well as low-pass filters. Results: The proposed algorithms are experimentally tested for digital x-ray images, which are obtained from direct detectors with the rotated grids, and are compared with other algorithms. It is shown that the proposed algorithms can successfully reduce the grid artifacts for direct detectors. Conclusions: By employing the homomorphic filtering technique, the authors can considerably suppress the strong grid artifacts with relatively narrow-bandwidth filters compared to the normal filtering case. Using rotated grids also significantly reduces the ringing artifact. Furthermore, for specific grid frequencies and angles, the authors can use simple homomorphic low-pass filters in the spatial domain, and thus alleviate the grid artifacts with very low implementation complexity.

  4. Small Angle X-Ray Scattering Detector

    DOE Patents [OSTI]

    Hessler, Jan P.

    2004-06-15

    A detector for time-resolved small-angle x-ray scattering includes a nearly constant diameter, evacuated linear tube having an end plate detector with a first fluorescent screen and concentric rings of first fiber optic bundles for low angle scattering detection and an annular detector having a second fluorescent screen and second fiber optic bundles concentrically disposed about the tube for higher angle scattering detection. With the scattering source, i.e., the specimen under investigation, located outside of the evacuated tube on the tube's longitudinal axis, scattered x-rays are detected by the fiber optic bundles, to each of which is coupled a respective photodetector, to provide a measurement resolution, i.e., dq/q, where q is the momentum transferred from an incident x-ray to an x-ray scattering specimen, of 2% over two (2) orders of magnitude in reciprocal space, i.e., q.sub.max /q.sub.min.congruent.100.

  5. MID-INFRARED SPECTRAL INDICATORS OF STAR FORMATION AND ACTIVE...

    Office of Scientific and Technical Information (OSTI)

    and, with poorer statistics, of the neon emission lines and molecular hydrogen ... ENERGY BALANCE; GALAXIES; LUMINOSITY; NEON; PHOTOMETRY; POLYCYCLIC AROMATIC ...

  6. Arylene fluorinated sulfonimide compositions

    DOE Patents [OSTI]

    Teasley, Mark F.

    2010-11-23

    Described herein are aromatic sulfonimide compositions that can be used to prepare polymers useful as membranes in electrochemical cells.

  7. Projection imaging of photon beams by the Cerenkov effect

    SciTech Connect (OSTI)

    Glaser, Adam K.; Davis, Scott C.; McClatchy, David M.; Zhang, Rongxiao; Pogue, Brian W.; Gladstone, David J.

    2013-01-15

    Purpose: A novel technique for beam profiling of megavoltage photon beams was investigated for the first time by capturing images of the induced Cerenkov emission in water, as a potential surrogate for the imparted dose in irradiated media. Methods: A high-sensitivity, intensified CCD camera (ICCD) was configured to acquire 2D projection images of Cerenkov emission from a 4 Multiplication-Sign 4 cm{sup 2} 6 MV linear accelerator (LINAC) x-ray photon beam operating at a dose rate of 400 MU/min incident on a water tank with transparent walls. The ICCD acquisition was gated to the LINAC sync pulse to reduce background light artifacts, and the measurement quality was investigated by evaluating the signal to noise ratio and measurement repeatability as a function of delivered dose. Monte Carlo simulations were used to derive a calibration factor for differences between the optical images and deposited dose arising from the anisotropic angular dependence of Cerenkov emission. Finally, Cerenkov-based beam profiles were compared to a percent depth dose (PDD) and lateral dose profile at a depth of d{sub max} from a reference dose distribution generated from the clinical Varian ECLIPSE treatment planning system (TPS). Results: The signal to noise ratio was found to be 20 at a delivered dose of 66.6 cGy, and proportional to the square root of the delivered dose as expected from Poisson photon counting statistics. A 2.1% mean standard deviation and 5.6% maximum variation in successive measurements were observed, and the Monte Carlo derived calibration factor resulted in Cerenkov emission images which were directly correlated to deposited dose, with some spatial issues. The dose difference between the TPS and PDD predicted by Cerenkov measurements was within 20% in the buildup region with a distance to agreement (DTA) of 1.5-2 mm and {+-}3% at depths beyond d{sub max}. In the lateral profile, the dose difference at the beam penumbra was within {+-}13% with a DTA of 0-2 mm, {+-}5% in the central beam region, and 2%-3% in the beam umbra. Conclusions: The results from this initial study demonstrate the first documented use of Cerenkov emission imaging to profile x-ray photon LINAC beams in water. The proposed modality has several potential advantages over alternative methods, and upon future refinement may prove to be a robust and novel dosimetry method.

  8. Influence of Domain Wall Pinning on the Dynamic Behavior of Magnetic...

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

    B. Van Waeyenberge (Ghent University, Belgium), K.W. Chou, H. Stoll, M. Curcic, G. Schutz (Max Planck Institute for Metals Research, Germany), T. Tyliszczak (ALS), G....

  9. Metagenomic and Metaproteomic Analyses of Symbioses between Bacteria and Gutless Marine Worms (2014 DOE JGI Genomics of Energy & Environment Meeting)

    SciTech Connect (OSTI)

    Dubilier, Nicole

    2014-03-19

    Nicole Dubilier of the Max Planck Institute speaks at the 9th Annual Genomics of Energy & Environment Meeting on March 20, 2014 in Walnut Creek, Calif.

  10. BPA-2010-00492-FResponse.doc

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

    DAVID A FILER DAVID A. FILER, ATTORNEY US POSTMASTER USPS CENTRALIZED ACCOUNT PROCESSING SYSTEM RESOURCE MANAGEMENT ASSOCIATES WIND SITE MAINTENANCE SUPPORT (MAX HOLDER) RESOURCE...

  11. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Garching, Max Planck Inst., MPEMuenchen, Tech. U. Universe" Name Name ORCID Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous Patent Program...

  12. An Iridate with Fermi Arcs

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

    (Univ. of Michigan); and B.J Kim (Argonne National Laboratory, Univ. of Michigan, and Max Planck Institute for Solid State Research). Research funding: National Science...

  13. --No Title--

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

    some the revisions for both chapters includes DOE's annual reporting performance targets, MAX site quarterly reporting by the DOE Agency Coordinator, the requirement for 100%...

  14. stamnes-99.PDF

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

    ... pressure and temperature, flow rates, film speed, condensation nuclei concentration (r > 0.02 micrometer) * max altitude: 2500 m with battery pack, 1 km on powered tether * ...

  15. Porterfield named ASTM Fellow

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

    the Nuclear Fuel Cycle International Committee may bestow on an individual; and the Max Hecht Award, the highest award the Water International Committee can bestow on an - 2 -...

  16. Porterfield named ASTM Fellow

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

    the Nuclear Fuel Cycle International Committee may bestow on an individual; and the Max Hecht Award, the highest award the Water International Committee can bestow on an...

  17. PowerPoint Presentation

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

    ... capabilities 6) Minimal to zero water consumption (energy water nexus issues ... and Key Participants; Abstract (200 words max) - Introduction - Impact of the ...

  18. Accelerated Aging Studies

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

    Accelerated Aging Studies LA-UR -15-27339 This document is approved for public release; further dissemination unlimited Property (max) log (aging time) Property (failure) Property ...

  19. Contact | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Student Participation Other * Comments max. 1000 characters Captcha Display another text. Play audio version of text. Image Verification Submit Last modified: 8142013 5:25:36...

  20. Contact | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Letters of Recommendation Other * Comments max. 1000 characters Captcha Display another text. Play audio version of text. Image Verification Submit Last modified: 8142013 5:25:36...

  1. Posters

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

    San Diego La Jolla, California H. Grassl Max Planck Institute for Meteorology Hamburg, Germany A. Heymsfield National Center for Atmospheric Research Boulder, Colorado J. Spinhirne...

  2. Markus Mezger | Center for Gas SeparationsRelevant to Clean Energy...

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

    Presently: Project leader, Max Planck Institute for Polymer Research, Mainz, Germany Email: mezger at mpip-mainz.mpg.de Diploma in Physics, Stuttgart University,...

  3. X-ray and neutron scattering studies of the complex compounds...

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

    by Dr. Hoyoung Jang, Max Planck Institute for Solid State Research in Stuttgart, Germany In condensed matter physics, in particular a field of complex oxide materials, most...

  4. Index of /datasets/files/41/pub/PUBID8_1234

    Open Energy Info (EERE)

    MaxTech 21-May-2012 23:38 - 429 Throttled (bot load) Error 429 Throttled (bot load) Throttled (bot load) Guru Meditation: XID: 99456974...

  5. MSExcel Document (7k)

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    usrlocalmorph3etccatdocxls2csv -cutf-8 -g -M -l --timeout60 --error-logusrlocalmorph3texisnleeiaoutlookanytotx-errors.15607 --max-depth9...

  6. Ji-Woong Lee | Center for Gas SeparationsRelevant to Clean Energy...

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

    Max-Planck Institut fuer Kohlenforschung, Germany BSc and MSc in Chemistry, Sungkyunkwan University, Korea EFRC research: We are currently developing a methodology for a...

  7. Three years of Swift/BAT Survey of AGN: Reconciling Theory and...

    Office of Scientific and Technical Information (OSTI)

    A. ; Garching, Max Planck Inst., MPE Muenchen, Tech. U. Universe ; Gehrels, N. ; NASA, Goddard Publication Date: 2011-02-07 OSTI Identifier: 1004918 Report Number(s):...

  8. Advanced nickel base alloys for high strength, corrosion applications

    DOE Patents [OSTI]

    Flinn, John E.

    1998-01-01

    Improved nickel-base alloys of enhanced strength and corrosion resistance, produced by atomization of an alloy melt under an inert gas atmosphere and of composition 0-20Fe, 10-30Cr, 2-12Mo, 6 max. Nb, 0.05-3 V, 0.08 max. Mn, 0.5 max. Si, less than 0.01 each of Al and Ti, less than 0.05 each of P and S, 0.01-0.08C, less than 0.2N, 0.1 max. 0, bal. Ni.

  9. Advanced nickel base alloys for high strength, corrosion applications

    DOE Patents [OSTI]

    Flinn, J.E.

    1998-11-03

    Improved nickel-base alloys of enhanced strength and corrosion resistance, produced by atomization of an alloy melt under an inert gas atmosphere and of composition 0--20Fe, 10--30Cr, 2--12Mo, 6 max. Nb, 0.05--3 V, 0.08 max. Mn, 0.5 max. Si, less than 0.01 each of Al and Ti, less than 0.05 each of P and S, 0.01--0.08C, less than 0.2N, 0.1 max. 0, bal. Ni. 3 figs.

  10. FELIX: advances in modeling forward and inverse icesheet problems...

    Office of Scientific and Technical Information (OSTI)

    icesheet problems. Authors: Perego, Mauro ; Eldred, Michael S. ; Gunazburger, Max ; Salinger, Andrew G. ; Kalashnikova, Irina ; Ju, L. ; Hoffman, M. ; Leng, W. ; Price, S ;...

  11. Healthy Efficient Homes Research & Standards

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

    ... Smart ventilation savings (Turner & Walker, 2013 ) 9 Approach: Distinctive Characteristics ... Max Sherman Iain Walker Woody Delp Rengie Chan Brennan Less Brett Singer 10 Progress and ...

  12. A drone's-eye view of a wind turbine | GE Global Research

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

    by Revolutionary Onboard Turbine Reshape) - Making it Real bowman2 Is a 'Mad Max' apocalypse possible? Luis-Felipe-WillcoxM&DV Monitoring and Diagnosis of Transformers...

  13. Why Do Atoms Explode When They Split? | GE Global Research

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

    by Revolutionary Onboard Turbine Reshape) - Making it Real bowman2 Is a 'Mad Max' apocalypse possible? Luis-Felipe-WillcoxM&DV Monitoring and Diagnosis of Transformers...

  14. Physics Case for the International Linear Collider (Technical...

    Office of Scientific and Technical Information (OSTI)

    ; Munich, Max Planck Inst. ; Tanabe, Tomohiko ; Tokyo U., ICEPP ; Yu, Jaehoon ; Texas U., Arlington ; Wells, James D. ; Michigan U., MCTP ; Murayama, Hitoshi ; UC, ...

  15. Combined Heat and Power (CHP): Is It Right For Your Facility...

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

    ... of peak electric demand Digester Gas: Often times considered "free gas" - consider sizing for max. electricity given available volume of digester gas (selling back to utility). ...

  16. Building America Case Study: New Town Builders' Power of Zero...

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

    ... Well done" - Diane Wildrick, ReMax Masters References Yankelovich, D. and Meer, D., "Rediscovering Market Segmentation." Harvard Business Review, February 2006. hbr.org Image ...

  17. Stimulated X-Ray Emission for Spectroscopy | Stanford Synchrotron...

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

    Room 108A Speaker: Clemens Weninger, Max Planck Institute for the Physics of Complex Systems Program Description The recent advance of x-ray free electron lasers (XFELs)...

  18. Designs for a Linac-Ring LHeC (Conference) | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Accel. Sci. Tech. ; Dainton, John ; Liverpool U. ; Klein, Max ; Liverpool U. ; Eide, Anders ; Paris U., VI-VII less Publication Date: 2012-06-21 OSTI Identifier: 1043845 ...

  19. A Method to Analyze the Diffuse Gamma-Ray Emission with the Fermi...

    Office of Scientific and Technical Information (OSTI)

    Park SLAC ; Moskalenko, Igor V. ; KIPAC, Menlo Park SLAC ; Porter, Troy ; UC, Santa Cruz ; Reimer, Olaf ; KIPAC, Menlo Park SLAC ; Strong, Andrew ; Garching, Max Planck ...

  20. Stencil Computation Optimization

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

    ... To evaluate the effectiveness of our optimization strate- ... We also show that the more aggressive software-controlled ... a combination of explicit search for global max- ima with ...

  1. One Direction: Researchers grow nanocircuitry with semiconducting...

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

    Matthieu Fortin-Deschenes, Pierre L. Levesque, Kyle M. McElhinny, Gerald J. Brady, Richard Rojas Delgado, Susmit Singha Roy, Andrew Mannix, Max G. Lagally, Paul G....

  2. Writing Effective Initial Summary Ratings Initial Summary Rating...

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

    Writing an Effective ISR (max 8000 characters including spaces) Before writing: * Read definitions of rating levels and critical element targets carefully * Review Strategic Plan ...

  3. "Rip" Perkins, pioneering PPPL physicist and a design leader...

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

    describe Rip," Hammett recalled. "He was dedicated to helping others in scientific enterprises and to working in fusion." Claire Max, a professor of astronomy and astrophysics at...

  4. Management Council - Center for Solar and Thermal Energy Conversion

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

    Organization  MANAGEMENT COUNCIL Peter Green, Dir. MSE Rachel Goldman MSE Ctirad Uher Physics Jamie Phillips EECS Max Shtein MSE Roy Clarke Physics Ted Goodson III Chemistry ...

  5. Verification of the ideal magnetohydrodynamic response at rational...

    Office of Scientific and Technical Information (OSTI)

    New Jersey 08543, USA Max-Planck-Institut fr Plasmaphysik, Greifswald 17491, Germany Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA Publication Date:...

  6. The 2-79 keV X-ray Spectrum of the Circinus Galaxy with NuSTAR...

    Office of Scientific and Technical Information (OSTI)

    Park, IGC ; Brightman, M. ; Garching, Max Planck Inst., MPE ; Christensen, F. E. ; Denmark Tech U. ; Comastri, A. ; Bologna Observ. more ; Craig, W. W. ; Space Sci. ...

  7. Burlington Electric Department - Residential Energy Efficiency...

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

    Lighting Air conditioners Compressed air Tankless Water Heater Maximum Rebate 3200 max incentive for air compressors Program Info Sector Name Utility Administrator Burlington...

  8. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    order stochastic collocation method for Bayesian inference in groundwater reactive transport modeling Zhang Guannan ORNL Webster Clayton G ORNL Gunzburger Max D ORNL Although...

  9. An adaptive sparse-grid high-order stochastic collocation method...

    Office of Scientific and Technical Information (OSTI)

    stochastic collocation method for Bayesian inference in groundwater reactive transport modeling Zhang, Guannan ORNL; Webster, Clayton G ORNL; Gunzburger, Max D ORNL...

  10. Opacity of iron, nickel, and copper plasmas in the x-ray wavelength...

    Office of Scientific and Technical Information (OSTI)

    2 more ; Max-Planck-Institut fuer Quantenoptik, D-85748 Garching 3 ; Institute of Nuclear Fusion, Universidad Politecnica de Madrid, Spain and Laboratoire d'Optique...

  11. Alchemix Corporation | Open Energy Information

    Open Energy Info (EERE)

    Sector: Hydro Product: Alchemix Corporation is a development stage company which has as its principal asset the HydroMax technology. References: Alchemix Corporation1 This...

  12. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Heidelberg, Max Planck Inst.Tokyo U., ICRR" Name Name ORCID Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous Patent Program Document Software...

  13. NuSTAR Detection of the Blazar B2 1023+25 at Redshift 5.3 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Dept. Penn State U., IGC ; Chirstensen, F.E. ; Denmark Tech. U. more ; Giommi, P. ; ASDC, Frascati Rome Observ. ; Greiner, J. ; Garching, Max Planck Inst., MPE ; Hailey, ...

  14. The Mean and Scatter of the Velocity Dispersion-Optical Richness Relation

    Office of Scientific and Technical Information (OSTI)

    for MaxBCG Galaxy Clusters (Journal Article) | SciTech Connect The Mean and Scatter of the Velocity Dispersion-Optical Richness Relation for MaxBCG Galaxy Clusters Citation Details In-Document Search Title: The Mean and Scatter of the Velocity Dispersion-Optical Richness Relation for MaxBCG Galaxy Clusters The distribution of galaxies in position and velocity around the centers of galaxy clusters encodes important information about cluster mass and structure. Using the maxBCG galaxy cluster

  15. 2012 Aspen Winter Conference New Paradigms for Low-Dimensional...

    Office of Scientific and Technical Information (OSTI)

    Two organizers who did not attend the conference were Gabriel Aeppli (University College London & London Centre for Nanotechnology) and Andrea Cavalleri (Oxford University & Max ...

  16. Deirdre Monroe

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

    Christina Martos Hilton Deirdre Monroe Hai Ah Nam Denise Neudecker Phil & Monica Noll Amy Ross Bryant Roybal Max Schulze Denise Thronas Michael Torrez Jos Valdez Darleen...

  17. Hai Ah Nam

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

    Christina Martos Hilton Deirdre Monroe Hai Ah Nam Denise Neudecker Phil & Monica Noll Amy Ross Bryant Roybal Max Schulze Denise Thronas Michael Torrez Jos Valdez Darleen...

  18. Links

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

    Related Sites National Nanotechnology Initiative Nano Technology Industries Advanced Materials Research Institute Institute of Physics Max-Planck Institute for Kohlenforschung The...

  19. IN-VEHICLE, HIGH-POWER ENERGY STORAGE SYSTEMS

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

    Engineering advisor C.Y. Wang - Battery and fuel cell research * Max Ripepi - Masters Engineering Mechanics advisor Charles Bakis - Self levitating flywheel design...

  20. Sorption of organic gases in residential bedrooms andbathrooms

    SciTech Connect (OSTI)

    Singer, B.C.; Hodgson, A.T.; Hotchi, T.; Ming, K.Y.; Sextro,R.G.; Wood, E.E.; Brown, N.J.

    2005-01-05

    Experiments were conducted to characterize organic gas sorption in residential bedrooms (n=4), bathrooms (n=2), and a furnished test chamber. Rooms were studied ''as-is'' with material surfaces and furnishings unaltered. Surface materials were characterized and areas quantified. Experiments included rapid volatilization of a volatile organic compound (VOC) mixture with the room closed and sealed for a 5-h Adsorb phase, followed by 30-min Flush and 2-h closed-room Desorb phases. The mixture included n-alkanes, aromatics, glycol ethers, 2-ethyl-1-hexanol, dichlorobenzene, and organophosphorus compounds. Measured gas-phase concentrations were fit to three variations of a mathematical model that considers sorption occurring at one surface sink and one potential embedded sink. The 2-parameter sink model tracked measurements for most compounds, but improved fits were obtained for some VOCs with a 3-parameter sink-diffusion or a 4-parameter two-sink model. Sorptive partitioning and initial adsorption rates increased with decreasing vapor pressure within each chemical class.

  1. Sulfation of metal-organic framework: Opportunities for acid catalysis and proton conductivity

    SciTech Connect (OSTI)

    Goesten, M.G.; Stavitski, E.; Juan-Alcaniz, J.; Ramos-Fernandez, E.V.; Sai Sankar Gupta, K.B.; van Bekkum, H.; Gascon, J. and Kapteijn, F.

    2011-05-24

    A new post-functionalization method for metal-organic frameworks (MOFs) has been developed to introduce acidity for catalysis. Upon treatment with a mixture of triflic anhydride and sulfuric acid, chemically stable MOF structures MIL-101(Cr) and MIL-53(Al) can be sulfated, resulting in a Broensted sulfoxy acid group attached to up to 50% of the aromatic terephthalate linkers of the structure. The sulfated samples have been extensively characterized by solid-state NMR, XANES, and FTIR spectroscopy. The functionalized acidic frameworks show catalytic activity similar to that of acidic polymers like Nafion{reg_sign} display in the esterification of n-butanol with acetic acid (TOF {approx} 1 min{sup -1} {at} 343 K). Water adsorbs strongly up to 4 molecules per sulfoxy acid group, and an additional 2 molecules are taken up at lower temperatures in the 1-D pore channels of S-MIL-53(Al). The high water content and Broensted acidity provide the structure S-MIL-53(Al) a high proton conductivity up to moderate temperatures.

  2. Instructions

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

    2 value in eV 2 sin 2 2 e,max (90% CL): upper limit in sin 2 2 e , at 90% confidence level sin 2 2 e,max (3 CL): upper limit in sin 2 2 e , at 3 confidence...

  3. Evaluation of Automatic Atlas-Based Lymph Node Segmentation for Head-and-Neck Cancer

    SciTech Connect (OSTI)

    Stapleford, Liza J.; Lawson, Joshua D.; Perkins, Charles; Edelman, Scott; Davis, Lawrence

    2010-07-01

    Purpose: To evaluate if automatic atlas-based lymph node segmentation (LNS) improves efficiency and decreases inter-observer variability while maintaining accuracy. Methods and Materials: Five physicians with head-and-neck IMRT experience used computed tomography (CT) data from 5 patients to create bilateral neck clinical target volumes covering specified nodal levels. A second contour set was automatically generated using a commercially available atlas. Physicians modified the automatic contours to make them acceptable for treatment planning. To assess contour variability, the Simultaneous Truth and Performance Level Estimation (STAPLE) algorithm was used to take collections of contours and calculate a probabilistic estimate of the 'true' segmentation. Differences between the manual, automatic, and automatic-modified (AM) contours were analyzed using multiple metrics. Results: Compared with the 'true' segmentation created from manual contours, the automatic contours had a high degree of accuracy, with sensitivity, Dice similarity coefficient, and mean/max surface disagreement values comparable to the average manual contour (86%, 76%, 3.3/17.4 mm automatic vs. 73%, 79%, 2.8/17 mm manual). The AM group was more consistent than the manual group for multiple metrics, most notably reducing the range of contour volume (106-430 mL manual vs. 176-347 mL AM) and percent false positivity (1-37% manual vs. 1-7% AM). Average contouring time savings with the automatic segmentation was 11.5 min per patient, a 35% reduction. Conclusions: Using the STAPLE algorithm to generate 'true' contours from multiple physician contours, we demonstrated that, in comparison with manual segmentation, atlas-based automatic LNS for head-and-neck cancer is accurate, efficient, and reduces interobserver variability.

  4. Characterization of Clostridium thermocellum JW20

    SciTech Connect (OSTI)

    Freier, D.; Mothershed, C.P.; Wiegel, J.

    1988-01-01

    Clostridium thermocellum JW20 (ATCC 31549), which was isolated from a Louisiana cotton bale, grew on cellulose, cellobiose, and xylooligomers and, after adaptation, on glucose, fructose, and xylose in the pH range of 7.5 to 6.1 with T/sub opt/ of 60/sup 0/C, T/sub max/ of 69/sup 0/C, and T/sub min/ of above 28/sup 0/C. Doubling times during growth on cellulose and cellobiose were 6.5 and 2.6 h, respectively. The G+C content of the DNA was 40 mol% (chemical analysis). Growth on cellulose as substrate was totally inhibited in the presence of more than 125 mM sodium sulfate, 300 mM sodium chloride, 250 mM potassium chloride, 200 mM calcium chloride, 125 mM magnesium chloride, 40 mM lactate, or 250 mM acetate. The ratio of the fermentation products ethanol to acetate plus H/sub 2/ decreased when the culture was agitated. Agitation otherwise increased the rate of cellulose degradation in a growing culture but not under nongrowth conditions or with cell-free culture supernatant containing the extracellular cellulase. Shaking lowered the concentration of H/sub 2/ in the culture broth and thus minimized inhibition by the H/sub 2/ formed. Externally added H/sub 2/ caused an increased formation of ethanol during growth on cellulose or cellobiose. However, at an atmospheric pressure as high as 355 kPa (50 lb/in/sup 2/), H/sub 2/ did not cause significant growth inhibition beyond an increasing lag phase (up to 24 h). Several criteria to specifically prove the purity of C. thermocellum cultures were suggested.

  5. Characterization of an acetyl xylan esterase from the anaerobic fungus Orpinomyces sp. strain PC-2

    SciTech Connect (OSTI)

    Blum, D.L.; Li, X.L.; Chen, H.; Ljungdahl, L.G.

    1999-09-01

    A 1,067-bp cDNA, designated axeA, coding for an acetyl xylan esterase (AxeA) was cloned from the anaerobic rumen fungus Orpinomyces sp. strain PC-2. The gene had an open reading frame of 939 bp encoding a polypeptide of 313 amino acid residues with a calculated mass of 34,845 Da. An active esterase using the original start codon of the cDNA was synthesized in Escherichia coli. Two active forms of the esterase were purified from recombinant E. coli cultures. The size difference of 8 amino acids was a result of cleavages at two different sites within the signal peptide. The enzyme released acetate from several acetylated substrates, including acetylated xylan. The activity toward acetylated xylan was tripled in the presence of recombinant xylanase A from the same fungus. Using p-nitrophenyl acetate as a substrate, the enzyme had a K{sub m} of 0.9 mM and a V{sub max} of 785 {micro}mol min{sup {minus}} mg{sup {minus}1}. It had temperature and pH optima of 30 C and 9.0, respectively. AxeA had 56% amino acid identity with BnaA, an acetyl xylan esterase of Neocallimastix patriciarum, but the Orpinomyces AxeA was devoid of a noncatalytic repeated peptide domain (NCRPD) found at the carboxy terminus of the Neocallimastix BnaA. The NCRPD found in many glycosyl hydrolases and esterases of anaerobic fungi has been postulated to function as a docking domain for cellulase-hemicellulase complexes, similar to the dockerin of the cellulosome of Clostridium thermocellum.

  6. Process for detoxifying coal tars

    DOE Patents [OSTI]

    Longwell, John P. (Cambridge, MA); Peters, William A. (Arlington, MA)

    1983-01-01

    A process for treating liquid hydrocarbons to remove toxic, mutagenic and/or carcinogenic aromatic hydrocarbons comprises feeding the hydrocarbons into a reactor where vapors are thermally treated in contact with a catalyst consisting essentially of calcium oxide or a calcium oxide containing mineral. Thermally treating liquid hydrocarbons in contact with calcium oxide preferentially increases the cracking of aromatics thus producing a product having a reduced amount of aromatic compounds.

  7. PADD 5 Transportation Fuels Markets

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

    ... during periods of supply disruption and market change. ... to manage distribution system inefficiencies and ... Aromatic hydrocarbons are a class of chemical substances ...

  8. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... hyperspectral (1) particle phase (1) pollution (1) polycyclic aromatic hydrocarbons (1) ... (SOA) dominate atmospheric organic aerosols that affect climate, air quality, and health. ...

  9. Molecular catalytic coal liquid conversion (Conference) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    derived from organometallic compounds that are capable of reducing monocyclic aromatic compounds under very mild conditions. Accomplishments and conclusions are discussed. ...

  10. Molecular catalytic coal liquid conversion. Quarterly report...

    Office of Scientific and Technical Information (OSTI)

    Coal liquids can be hydrogenated catalyzed by Catalyst 2 include monocyclic aromatic ... PROGRESS REPORT; ORGANOMETALLIC COMPOUNDS; EXPERIMENTAL DATA Word Cloud More Like ...

  11. Molecular catalytic coal liquid conversion. Quarterly report...

    Office of Scientific and Technical Information (OSTI)

    the hydrogenation of other unactivated aromatic hydrocarbons such as toluene, ... EXPERIMENTAL DATA; ORGANOMETALLIC COMPOUNDS; PH VALUE Word Cloud More Like This Full ...

  12. Structure of the human M2 muscarinic acetylcholine receptor bound...

    Office of Scientific and Technical Information (OSTI)

    ... Subject: 60 APPLIED LIFE SCIENCES; 59 BASIC BIOLOGICAL SCIENCES; ACETYLCHOLINE; AMINO ACIDS; AROMATICS; AUTONOMIC NERVOUS SYSTEM; BIOCHEMISTRY; BIOLOGY; CENTRAL NERVOUS SYSTEM; ...

  13. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Filter Results Filter by Subject acetylcholine (1) amino acids (1) applied life sciences (1) aromatics (1) autonomic nervous system (1) basic biological sciences (1) biochemistry ...

  14. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... organism in laboratory cocultures that syntrophically oxidize fatty and aromatic acids. ... Genome Sequences of Industrially Relevant Saccharomyces cerevisiae Strain M3707, Isolated ...

  15. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Archive Nevada Test Site (NTS), Mercury, NV (United States) Nevada Test Site... sciences (1) aromatics (1) autonomic nervous system (1) basic biological sciences (1) ...

  16. Electrolyte salts for nonaqueous electrolytes (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    The aromatic moiety may be reversibly oxidizedreduced at a potential slightly higher than the working potential of the positive electrode in the lithium ion battery. The metal ...

  17. TITLE AUTHORS SUBJECT SUBJECT RELATED DESCRIPTION PUBLISHER AVAILABILI...

    Office of Scientific and Technical Information (OSTI)

    Molecular catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids Yang Shiyong Stock L M COAL LIGNITE AND PEAT CHEMISTRY COAL LIQUIDS HYDROGENATION...

  18. Catalysis Center for Energy Innovation: University of Delaware

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

    from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. ... and hemicellulose, the production of green aromatics, the hydrodeoxygenation of ...

  19. Facile One-Pot Synthesis of Porphyrin Based Porous Polymer Networks...

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

    by the aromatic substitution reactions of pyrrole and aldehydes. PPN-24(Fe) shows high catalytic efficiency as a biomimetic catalyst in the oxidation reaction of...

  20. ALS Evidence Confirms Combustion Theory

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

    hydrocarbons (PAHs) are hydrocarbons-organic compounds containing only carbon and hydrogen-that are composed of multiple aromatic rings (organic rings in which the...

  1. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Yasuo The reduction of aromatic compounds into their dihydro derivatives by dissolving metalalcohol systems (the Birch reduction) is a useful methodology in organic synthesis. ...

  2. Substituted 1,2-azaborine heterocycles

    DOE Patents [OSTI]

    Liu, Shih-Yuan; Lamm, Ashley

    2014-12-30

    Aromatic heterocycles incorporating boron and nitrogen atoms, in particular, 1,2-azaborine compounds having the formula ##STR00001## and their use as synthetic intermediates.

  3. This research was supported as part of the Catalysis Center for...

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

    wood, agricultural wastes, and energy crops) directly into aromatics and olefins with zeolite catalysts in a fluidized bed reactor in a process called catalytic fast pyrolysis. ...

  4. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Turner, DD ; Lo, C ; Min, Q The Min and Harrison algorithm has been incorporated into an ... As specified by Min and Harrison (1996), the wavelength at 415 nm was chosen due to the ...

  5. DIRECTIONS AND TIPS FOR USING INTEGRITY Accessing Integrity:

    Energy Savers [EERE]

    DIRECTIONS AND TIPS FOR USING INTEGRITY Accessing Integrity: The website address for Integrity is www.integrity.gov. When you get to the website, click on the yellow box labeled "Login to Integrity." Integrity is connected to the OMB MAX Central Authentication Service. Employees who have previously used OMB MAX should use their MAX user ID and password. Do not use the CIC or PIV login option. This is not enabled for DOE Integrity filers. If you used Integrity last year, you have an OMB

  6. MWRRET (Microwave Radiometer Retrievals)

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

    Plus Plus Andy Vogelmann, Dave Turner Andy Vogelmann, Dave Turner & Jennifer Comstock & Jennifer Comstock Min Min Susanne Crewell Susanne Crewell Ulrich L Ulrich L rnard ...

  7. Browse by Discipline -- E-print Network Subject Pathways: Materials...

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

    ... Technology, Monash University Kan, Min-Yen (Min-Yen Kan) - Department of Computational Science, National University of Singapore Kanade, Aditya (Aditya Kanade) - Department of ...

  8. Disordered organic electronic materials based on non-benzenoid 1,6-methano[10]annulene rings

    DOE Patents [OSTI]

    Tovar, John D; Streifel, Benjamin C; Peart, Patricia A

    2014-10-07

    Conjugated polymers and small molecules including the nonplanar aromatic 1,6-methano[10]annulene ring structure along with aromatic subunits, such as diketopyrrolopyrrole, and 2,1,3-benzothiadiazole, substituted with alkyl chains in a "Tail In," "Tail Out," or "No Tail" regiochemistry are disclosed.

  9. CONTENTS

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

    ... ENVIRONMENTS February 18, 2010 Rev 1 Page 4 1 Kevlar is a registered trademark of DuPont de Nemours. 2 K-Spec is a registered trademark of SlingMax. 18.4 MARKING AND POSTING ...

  10. Manhattan Project: A Miniature Solar System, 1890s-1919

    Office of Scientific and Technical Information (OSTI)

    concepts with Max Planck's quantum theory to produce the first modern model of the atom. ... on the history of "Chemistry" and "Physics" in Roy Porter and Marilyn Ogilvie, eds., ...

  11. Scientists use plasma shaping to control turbulence in stellarators...

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

    at the U.S. Department of Energy's Princeton Plasma Physics Laboratory (PPPL) and the Max Planck Institute of Plasma Physics in Germany have devised a new method for minimizing...

  12. X-ray imaging, spacecraft nuclear fission and cosmic ray contraband...

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

    and its partners are among the honorees. July 8, 2013 MiniMAX is a battery powered, digital x-ray imaging system that is completely self-contained, lightweight, compact and...

  13. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    CreatorsAuthors contains: "Webster, Clayton G" Sort by Relevance Sort by Date (newest ... Filter by Author Webster, Clayton G (8) Gunzburger, Max D (6) Webster, Clayton G ORNL ...

  14. Project of the Month | Department of Energy

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

    and Washington River Protection Services Company to implement a WiMAX-based communications infrastructure at Hanford to augment the existing fiber optic and Wi-Fi-based systems...

  15. Beamline 8.3.1

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

    BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal,...

  16. Hanford Site C Tank Farm Meeting Summary

    Office of Environmental Management (EM)

    o To avoid these problems, they will use a bounding max based on data since not enough data to figure central tendency. o C-200 tanks had big difference between estimated...

  17. schmid-99.PDF

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

    Miami, Florida P. Formenti and M. O. Andreae Max Planck Institute for Chemistry Mainz, Germany V. N. Kapustin University of Hawaii Honolulu, Hawaii T. S. Bates and P. K. Quinn...

  18. SEP Success Story: Warding Off Energy Vampires and Phantom Loads...

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

    Max Schreck in Nosferatu, presumably climbing the stairs to plug in some unused appliances. | Photo from Wikipedia, Public Domain in the U.S. Are Energy Vampires Sucking You Dry?

  19. Energy Tomorrow | Department of Energy

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

    2011 Serena DeBeer of Cornell University and the Max Planck Institute for Bioinorganic Chemistry, led the the team that performed crucial experiments at SLAC. Dr. DeBeer is...

  20. Scientists use plasma shaping to control turbulence in stellarators...

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

    regions of the highest strength shown in yellow. The MPX design is named for coauthors Harry Mynick and Neil Pomphrey of PPPL and Pavlos Xanthopoulos of the Max Planck Institute...

  1. Microsoft Word - Y12GammaAppendicesAand B.doc

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

    %) Max Dose 2174 Dose(mrem) Frequency 0 200 400 600 800 0 20 40 60 80 Quarterly Y-12 Film Badge Gamma Dose for 1952 Note change in vertical scale, frequency or number of workers...

  2. Iran Thomas Auditorium, 8600

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

    Biology Matthias Scheffler Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany CNMS D D I I S S C C O O V V E E R R Y Y SEMINAR SERIES Abstract: Dispersive or van...

  3. Index of /datasets/files/41/pub/PUBID8_3941

    Open Energy Info (EERE)

    Exist 22-May-2012 01:04 - DIR MaxTech 22-May-2012 01:04 - 429 Throttled (bot load) Error 429 Throttled (bot load) Throttled (bot load) Guru Meditation: XID: 1006824916 Varnish...

  4. Index of /datasets/files/41/pub/PUBID8_0332

    Open Energy Info (EERE)

    Apr-2012 11:07 - DIR MaxTech 18-Apr-2012 11:07 - 429 Throttled (bot load) Error 429 Throttled (bot load) Throttled (bot load) Guru Meditation: XID: 979859487 Varnish cache...

  5. Index of /datasets/files/41/pub/PUBID8_1506

    Open Energy Info (EERE)

    Exist 21-May-2012 23:49 - DIR MaxTech 21-May-2012 23:49 - 429 Throttled (bot load) Error 429 Throttled (bot load) Throttled (bot load) Guru Meditation: XID: 1006824909 Varnish...

  6. News | Princeton Plasma Physics Lab

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

    A screen shows multiple images of the first plasma in the W7-X control room. (Photo by Sam Lazerson) PPPL physicist Novimir Pablant and Andreas Langenberg, of the Max Planck...

  7. Next-Generation Genetics in Plants: Evolutionary Trade-off, Immunity and Speciation (2010 JGI User Meeting)

    ScienceCinema (OSTI)

    Wiegel, Detlef

    2011-04-25

    Detlef Wiegel from the Max Planck Institute for Developmental Biology on "Next-generation genetics in plants: Evolutionary tradeoffs, immunity and speciation" on March 25, 2010 at the 5th Annual DOE JGI User Meeting

  8. Ford Debuts Solar Energy Concept Car

    Broader source: Energy.gov [DOE]

    The Ford Motor Company unveiled the C-MAX Solar Energi Concept, a sun-powered vehicle with the potential to deliver what a plug-in hybrid offers without depending on the electric grid for fuel.

  9. CX-012059: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Testing of Irradiated MAX Phase Materials CX(s) Applied: B3.6 Date: 03/13/2014 Location(s): South Carolina Offices(s): Savannah River Operations Office

  10. Microsoft PowerPoint - poster for ARM 2007 5

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

    m as function of z n . D m decreases with z n . This indicates ice crystal has bigger max dimension with deceasing height . FIG 12 Variation of averaged area ratio as function of z...

  11. tiers | OpenEI Community

    Open Energy Info (EERE)

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

  12. Tritium Instrument Demonstration Station (TIDS)

    Office of Environmental Management (EM)

    - 488 nm; 200 mW max power RoMack Inc. 20' fiber optic (6 around 1) on " VCR fitting Kaiser Optical Holospec- f1.8 I VIS w 488 grating Andor DV-420-OE CCD detector Detection...

  13. BPA Visitor Center

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

    and is located at BPA headquarters in Portland, Oregon at 905 NE 11th Ave. (Public Transit @ the Lloyd Center MAX Station). Many of the publications available in the Visitor...

  14. Sputnik Engineering AG | Open Energy Information

    Open Energy Info (EERE)

    Zip: CH-2502 Sector: Solar Product: Manufacturer of SolarMax grid tie inverters for photovoltaic applications. References: Sputnik Engineering AG1 This article is a stub. You can...

  15. Posters Comparison Between General Circulation Model Simulation...

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

    GCM used for this study is from the Max-Planck Institute and the University of Hamburg, Germany (ECHAM3); it is described in detail by Roeckner et al. (1992). The simulation for...

  16. "Group IV Nanomembranes, Nanoribbons, and Quantum Dots: Processing...

    Office of Scientific and Technical Information (OSTI)

    This theoretical project has been carried out in close interaction with the experimental project at UW-Madison under the same title led by PI Max Lagally and co-PI Mark Eriksson. ...

  17. Property:Buildings/ModelType | Open Energy Information

    Open Energy Info (EERE)

    Minimum Cost Max Tech PV Takeoff Cost Neutral 30% Energy Savings 50% Energy Savings 70% Energy Savings Other Pages using the property "BuildingsModelType" Showing 12 pages using...

  18. The NuSTAR View of Nearby Compton-thick Active Galactic Nuclei...

    Office of Scientific and Technical Information (OSTI)

    Dept. ; Brandt, W.N. ; Pennsylvania U. Penn State U., University Park, IGC ; Brightman, M. ; Garching, Max Planck Inst., MPE Denmark, Tech. U. ; Christensen, F.E. ; Craig, W.W. ...

  19. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Goldsmith, Elizabeth J. (10) Luo, Xuelian (10) Wynn, R. Max (10) Chuang, David T. (9) Deisenhofer, Johann (9) Gardner, Kevin H. (9) Norgard, Michael V. (9) Phillips, Margaret A. ...

  20. ALSNews Vol. 297

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

    McKean, Hiroshi Nishimura, Bill Kelius. Row 5: Ryan Sprague, Tom Scarvie, Mike Kritscher, Max Vinco, Fernando Sannibale. Row 6: Warren Byrne, Mike Chin. Row 7: Jonathan Elkins,...

  1. Frederic Laquai Seminar: Photocurrent Generation in Low-Bandgap...

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

    Laquai Seminar: Photocurrent Generation in Low-Bandgap Polymer and Small Molecule Organic Solar Cells Apr 18, 2014 | 3:30 PM - 4:30 PM Frederic Laquai Head, Max Planck...

  2. Final Report. Institute for Ultralscale Visualization (Technical...

    Office of Scientific and Technical Information (OSTI)

    The scientific findings and experience of the Institute team helped plan the SciDAC3 program. Authors: Ma, Kwan-Liu 1 ; Galli, Giulia 1 ; Gygi, Francois 1 ; Max, Nelson 1 ; ...

  3. BENEFIT 2015 Funding Opportunity Announcement Webinar 1 (Text...

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

    ... The first one is primary seasonal COP, installed cost ... Remember, the abstract has a requirement of 200 words max. ... Pat Phelan: Of course, if there is any confusion, if you ...

  4. Index of /datasets/files/41/pub/PUBID8_3482

    Open Energy Info (EERE)

    Directory Base Exist MaxTech Wiki Apps Datasets Community Login | Sign Up Search Facebook icon Twitter icon Directory Listing This is a file-level view of datasets. Go...

  5. Xie_Naguib_MXene

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

    theoretical capacity of MXenes? Technical Details: MXenes were produced by selective etching A atoms from MAX phases (Figure 1). The latter have composition of M n+1 AX n ; where...

  6. LCLS Equipment Inventory | Sample Preparation Laboratories

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

    water system, resistivity 18.2M.cm, TOC < 5ppb, max. flow fate 2 Lminute. Sanyo MIR-154 Cooled Incubator Temperature Control The Panasonic MIR series offers accurate...

  7. From corrosion to batteries: Electrochemical interface studies...

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

    From corrosion to batteries: Electrochemical interface studies Thursday, October 18, 2012 - 11:00am SSRL, Bldg. 137, Rm 226 Dr. Frank Uwe Renner Max-Planck-Institut fr ...

  8. World War II

    National Nuclear Security Administration (NNSA)

    loved ones, viewing photographs and documents with Truman Library historians and listening to WWII veteran Max DeWeese reminisce about his experience in the war.

  9. Characterization of a Genuine S=1/2 Fe(V) Complex

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

    Characterization of a Genuine S12 Fe(V) Complex Nria Aliaga-Alcalde,1 Serena DeBeer George,2 Bernd Mienert,1 Eckhard Bill,1 Karl Wieghardt1 and Frank Neese1 1Max Planck...

  10. Slide 1

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

    for attenuation effects a) observed (i.e., attenuated) X-band radar reflectivity in rain b) for the same scene attenuation - corrected reflectivity max range is 40 km in this...

  11. The Measurement of the Moisture Concentration of Selected Test Model Ore

    Energy Savers [EERE]

    The Max Tech and Beyond Competition The Max Tech and Beyond Competition Addthis 1 of 5 Team Cal Poly Solar is working to significantly reduce the cost and construction time on their solar concentrator for cooking. Image: Lawrence Berkeley National Laboratory 2 of 5 Professor Dale Dolan's students from California Polytechnic State University San Luis Obispo Electrical Engineering department testing the placement of their Hybrid Solar Photovoltaic Panel for Pool Heating. Image: Lawrence Berkeley

  12. Super Energy Saver Heat Pump - Energy Innovation Portal

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

    Super Cool Appliance Design Wins Student Competition Super Cool Appliance Design Wins Student Competition August 23, 2012 - 2:44pm Addthis The winners of the Max Tech and Beyond competition -- a team of University of Maryland students -- designed and built a prototype for a wall unit air conditioner that showed more than 30 percent energy savings when tested in a lab. | Photo courtesy of Yunho Hwang, University of Maryland. The winners of the Max Tech and Beyond competition -- a team of

  13. Massive Soil Cleanup Effort Concludes at Hanford - Recovery Act Funding

    Office of Environmental Management (EM)

    Energy Maryland Heats Up Student Appliance Design Competition Maryland Heats Up Student Appliance Design Competition September 10, 2013 - 11:43am Addthis Students from the University of Maryland won the Max Tech and Beyond Design Competition for their heat pump clothes dryer prototype, which achieved a 59 percent energy savings compared to standard U.S. electric dryers. | Photo courtesy of the University of Maryland. Students from the University of Maryland won the Max Tech and Beyond Design

  14. Maryland team wins Virginia/Maryland Regional Middle School Science Bowl;

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

    Energy Maryland Heats Up Student Appliance Design Competition Maryland Heats Up Student Appliance Design Competition September 10, 2013 - 11:43am Addthis Students from the University of Maryland won the Max Tech and Beyond Design Competition for their heat pump clothes dryer prototype, which achieved a 59 percent energy savings compared to standard U.S. electric dryers. | Photo courtesy of the University of Maryland. Students from the University of Maryland won the Max Tech and Beyond Design

  15. NSUF Research Highlights Fall 2015.pptx

    Energy Savers [EERE]

    NSUF Research Highlights 2015 James I. Cole, PhD Chief Scientist, NSUF Idaho National Laboratory 2 n NSUF Research Highlights * Irradiation experiments * PIE * RTE * Nuclear data measurement and instrumentation development 3 Motivation MAX (M n+1 AX stoichiometry) phase ceramics have properties of a mixture of traditional ceramics and metals (toughness and high temperature strength). The irradiation data for MAX phase ceramics is needed for their application in nuclear reactor systems.

  16. Frederic Laquai Seminar: Photocurrent Generation in Low-Bandgap Polymer and

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

    Small Molecule Organic Solar Cells | Center for Energy Efficient Materials Frederic Laquai Seminar: Photocurrent Generation in Low-Bandgap Polymer and Small Molecule Organic Solar Cells Apr 18, 2014 | 3:30 PM - 4:30 PM Frederic Laquai Head, Max Planck Research Group for Organic Optoelectronics Max Planck Institute for Polymer Research Photocurrent Generation in Low-Bandgap Polymer and Small Molecule Organic Solar Cells April 18, 2014 | 3:30pm | Elings Hall (CNSI) 1605 Faculty host: Quyen

  17. Accelerated Aging Studies

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

    Accelerated Aging Studies LA-UR -15-27339 This document is approved for public release; further dissemination unlimited Property (max) log (aging time) Property (failure) Property (time=0) Accelerated Aging Data Predicted Storage Aging Response log (predicted lifetime) Property (max) log (aging time) Property (failure) Property (time=0) Accelerated Aging Data Predicted Storage Aging Response log (predicted lifetime) Accelerated Aging Studies Factors such as temperature, pressure, or radiation

  18. Heterogeneity-corrected vs -uncorrected critical structure maximum point doses in breast balloon brachytherapy

    SciTech Connect (OSTI)

    Kim, Leonard; Narra, Venkat; Yue, Ning

    2013-07-01

    Recent studies have reported potentially clinically meaningful dose differences when heterogeneity correction is used in breast balloon brachytherapy. In this study, we report on the relationship between heterogeneity-corrected and -uncorrected doses for 2 commonly used plan evaluation metrics: maximum point dose to skin surface and maximum point dose to ribs. Maximum point doses to skin surface and ribs were calculated using TG-43 and Varian Acuros for 20 patients treated with breast balloon brachytherapy. The results were plotted against each other and fit with a zero-intercept line. Max skin dose (Acuros) = max skin dose (TG-43) ? 0.930 (R{sup 2} = 0.995). The average magnitude of difference from this relationship was 1.1% (max 2.8%). Max rib dose (Acuros) = max rib dose (TG-43) ? 0.955 (R{sup 2} = 0.9995). The average magnitude of difference from this relationship was 0.7% (max 1.6%). Heterogeneity-corrected maximum point doses to the skin surface and ribs were proportional to TG-43-calculated doses. The average deviation from proportionality was 1%. The proportional relationship suggests that a different metric other than maximum point dose may be needed to obtain a clinical advantage from heterogeneity correction. Alternatively, if maximum point dose continues to be used in recommended limits while incorporating heterogeneity correction, institutions without this capability may be able to accurately estimate these doses by use of a scaling factor.

  19. Nuclear data review and compilation for ATW systems

    SciTech Connect (OSTI)

    Guzhovskii, B.; Gorelov, V.; Il`in, V.; Farafontov, G.; Grebennikov, A.

    1994-10-01

    In order to solve the problem of nuclear power waste transmutation in neutron flux it is necessary to know the characteristics of neutron interaction for a great number of nuclei in the energy range from 0 to hundreds of MeV. The authors distinguished the most important aspect of this problem that one of nuclear data for actinides, (from Th to Cm isotopes) They have given the overview of evaluations of characteristic of interaction between neutrons and these nuclei leading to transformation from target-nucleus to neighboring actinide-nucleus or fission fragments in the limited energy range from 0 to 14 MeV. The review was carried out by comparison of mentioned characteristics from the modern versions of ENDL-82, JENDL-3, ENDF/B-6 and BROND-2 neutron evaluated data among themselves and with recommended data of previous publications and, in some cases, with the measurement results. ENDL-82 and ENDF/B-6 versions were made in USA laboratories, JENDL-3 was made in the laboratories of Japan and BROND-2 version was made in the laboratories of former USSR. The comparison of nuclear data from various libraries was carried out by the most economic method permitting, nevertheless, fully judge of available uncertainties in the knowledge of competitive nuclear data which are important from the point of view of problem of transmutation in various energies neutron flux. The following characteristics were considered: (a) fission and capture cross-sections at thermal point (E{sub n}=0.0253 eV); (b) infinitely dilute resonance integrals of fission and capture designated by I{sub f} and I{sub {gamma}} (c) averaged on {sup 252}Cf spontaneous fission neutron spectrum cross-sections of fission, capture and the (n,2n) reactions; (d) cross-sections of fission and the (n,2n), (n,3n) reactions at the point En = 14 MeV; (e) fission and capture resonance integrals for a interval of sets with the increasing upper (E {sub max}) and lower (E {sub min}) limits of integral.

  20. Male Sterile2 Encodes a Plastid-Localized Fatty Acyl Carrier Protein Reductase Required for Pollen Exine Development in Arabidopsis

    SciTech Connect (OSTI)

    Chen, W.; Shanklin, J.; Yu, X.-H.; Zhang, K.; Shi, J.; De Oliveira, S.; Schreiber, L.; Zhang, D.

    2011-10-01

    Male Sterile2 (MS2) is predicted to encode a fatty acid reductase required for pollen wall development in Arabidopsis (Arabidopsis thaliana). Transient expression of MS2 in tobacco (Nicotiana benthamiana) leaves resulted in the accumulation of significant levels of C16 and C18 fatty alcohols. Expression of MS2 fused with green fluorescent protein revealed that an amino-terminal transit peptide targets the MS2 to plastids. The plastidial localization of MS2 is biologically important because genetic complementation of MS2 in ms2 homozygous plants was dependent on the presence of its amino-terminal transit peptide or that of the Rubisco small subunit protein amino-terminal transit peptide. In addition, two domains, NAD(P)H-binding domain and sterile domain, conserved in MS2 and its homologs were also shown to be essential for MS2 function in pollen exine development by genetic complementation testing. Direct biochemical analysis revealed that purified recombinant MS2 enzyme is able to convert palmitoyl-Acyl Carrier Protein to the corresponding C16:0 alcohol with NAD(P)H as the preferred electron donor. Using optimized reaction conditions (i.e. at pH 6.0 and 30 C), MS2 exhibits a K{sub m} for 16:0-Acyl Carrier Protein of 23.3 {+-} 4.0 {mu}m, a V{sub max} of 38.3 {+-} 4.5 nmol mg{sup -1} min{sup -1}, and a catalytic efficiency/K{sub m} of 1,873 m{sup -1} s{sup -1}. Based on the high homology of MS2 to other characterized fatty acid reductases, it was surprising that MS2 showed no activity against palmitoyl- or other acyl-coenzyme A; however, this is consistent with its plastidial localization. In summary, genetic and biochemical evidence demonstrate an MS2-mediated conserved plastidial pathway for the production of fatty alcohols that are essential for pollen wall biosynthesis in Arabidopsis.

  1. Inviscid evolution of large amplitude filaments in a uniform gravity field

    SciTech Connect (OSTI)

    Angus, J. R.; Krasheninnikov, S. I.

    2014-11-15

    The inviscid evolution of localized density stratifications under the influence of a uniform gravity field in a homogeneous, ambient background is studied. The fluid is assumed to be incompressible, and the stratification, or filament, is assumed to be initially isotropic and at rest. It is shown that the center of mass energy can be related to the center of mass position in a form analogous to that of a solid object in a gravity field g by introducing an effective gravity field g{sub eff}, which is less than g due to energy that goes into the background and into non-center of mass motion of the filament. During the early stages of the evolution, g{sub eff} is constant in time and can be determined from the solution of a 1D differential equation that depends on the initial, radially varying density profile of the filament. For small amplitude filaments such that ?{sub 0} ? 1, where ?{sub 0} is the relative amplitude of the filament to the background, the early stage g{sub eff} scales linearly with ?{sub 0}, but as ?{sub 0}??,?g{sub eff}?g and is thus independent of ?{sub 0}. Fully nonlinear simulations are performed for the evolution of Gaussian filaments, and it is found that the time t{sub max}, which is defined as the time for the center of mass velocity to reach its maximum value U{sub max}, occurs very soon after the constant acceleration phase and so U{sub max}?g{sub eff}(t=0)t{sub max}. The simulation results show that U{sub max}?1/t{sub max}??(?{sub 0}) for ?{sub 0} ? 1, in agreement with theory and results from previous authors, but that U{sub max} and t{sub max} both scale approximately with ?(?{sub 0}) for ?{sub 0} ? 1. The fact that U{sub max} and t{sub max} have the same scaling with ?{sub 0} for large amplitude filaments is in agreement with the theory presented in this paper.

  2. Pretreatment [{sup 18}F]-fluoro-2-deoxy-glucose Positron Emission Tomography Maximum Standardized Uptake Value as Predictor of Distant Metastasis in Early-Stage Non-Small Cell Lung Cancer Treated With Definitive Radiation Therapy: Rethinking the Role of Positron Emission Tomography in Personalizing Treatment Based on Risk Status

    SciTech Connect (OSTI)

    Nair, Vimoj J.; MacRae, Robert; Sirisegaram, Abby; Pantarotto, Jason R.

    2014-02-01

    Purpose: The aim of this study was to determine whether the preradiation maximum standardized uptake value (SUV{sub max}) of the primary tumor for [{sup 18}F]-fluoro-2-deoxy-glucose positron emission tomography (FDG-PET) has a prognostic significance in patients with Stage T1 or T2N0 non-small cell lung cancer (NSCLC) treated with curative radiation therapy, whether conventional or stereotactic body radiation therapy (SBRT). Methods and Materials: Between January 2007 and December 2011, a total of 163 patients (180 tumors) with medically inoperable histologically proven Stage T1 or T2N0 NSCLC and treated with radiation therapy (both conventional and SBRT) were entered in a research ethics board approved database. All patients received pretreatment FDG-PET / computed tomography (CT) at 1 institution with consistent acquisition technique. The medical records and radiologic images of these patients were analyzed. Results: The overall survival at 2 years and 3 years for the whole group was 76% and 67%, respectively. The mean and median SUV{sub max} were 8.1 and 7, respectively. Progression-free survival at 2 years with SUV{sub max} <7 was better than that of the patients with tumor SUV{sub max} ?7 (67% vs 51%; P=.0096). Tumors with SUV{sub max} ?7 were associated with a worse regional recurrence-free survival and distant metastasis-free survival. In the multivariate analysis, SUV{sub max} ?7 was an independent prognostic factor for distant metastasis-free survival. Conclusion: In early-stage NSCLC managed with radiation alone, patients with SUV{sub max} ?7 on FDG-PET / CT scan have poorer outcomes and high risk of progression, possibly because of aggressive biology. There is a potential role for adjuvant therapies for these high-risk patients with intent to improve outcomes.

  3. A Supramolecular Complex in Small-Molecule Solar Cells based on Contorted

    Office of Scientific and Technical Information (OSTI)

    Aromatic Molecules (Journal Article) | SciTech Connect A Supramolecular Complex in Small-Molecule Solar Cells based on Contorted Aromatic Molecules Citation Details In-Document Search Title: A Supramolecular Complex in Small-Molecule Solar Cells based on Contorted Aromatic Molecules Authors: Kang S. ; Kim, J ; Chiu, C ; Ahn, S ; Schiros, T ; Lee, S ; Yager, K ; Toney, M ; Loo, Y ; Nuckolls, C Publication Date: 2012-08-20 OSTI Identifier: 1069683 Report Number(s): BNL--100255-2013-JA Journal

  4. Simple and accurate correlation of experimental redox potentials and

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

    DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons Simple and accurate correlation of experimental redox potentials and DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons Authors: Méndez-Hernández, D.D,, Tarakeshwar, P., Gust, D,. Moore,T.A., Moore, A.L., Mujica, V. Title: Simple and accurate correlation of experimental redox potentials and DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons Source: Journal of Molecular modeling Year:

  5. SOLUBILITY OF METHANE I N WATER UNDER NATURAL CONDITIONS A LABORATORY...

    Office of Scientific and Technical Information (OSTI)

    ... s k s were then analyzed. change i n temperature and had no ... p s i ) . o f t h e system was decreased t o t h e n ... Compound class analysis (saturated and aromatic hydrocarbons ...

  6. IM

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    assumes percent of the total motor gasoline pool. Reformer product a reduction in fuel efficiency of 1.6 percent due to the use (reformate) contains about 66 percent aromatics...

  7. advanced-fuels-synthesis-index | netl.doe.gov

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

    Future work in this area may include direct coal conversion to higher value products such as aromatics needed for high altitude jet fuel, and solid carbon product by-products. ...

  8. Redox shuttles for overcharge protection of lithium batteries

    DOE Patents [OSTI]

    Amine, Khalil; Chen, Zonghai; Wang, Qingzheng

    2010-12-14

    The present invention is generally related to electrolytes containing novel redox shuttles for overcharge protection of lithium-ion batteries. The redox shuttles are capable of thousands hours of overcharge tolerance and have a redox potential at about 3-5.5 V vs. Li and particularly about 4.4-4.8 V vs. Li. Accordingly, in one aspect the invention provides electrolytes comprising an alkali metal salt; a polar aprotic solvent; and a redox shuttle additive that is an aromatic compound having at least one aromatic ring with four or more electronegative substituents, two or more oxygen atoms bonded to the aromatic ring, and no hydrogen atoms bonded to the aromatic ring; and wherein the electrolyte solution is substantially non-aqueous. Further there are provided electrochemical devices employing the electrolyte and methods of making the electrolyte.

  9. System for analyzing coal liquefaction products

    DOE Patents [OSTI]

    Dinsmore, Stanley R.; Mrochek, John E.

    1984-01-01

    A system for analyzing constituents of coal-derived materials comprises three adsorption columns and a flow-control arrangement which permits separation of both aromatic and polar hydrocarbons by use of two eluent streams.

  10. Linkages of DOE'S Energy Storage R & D to Batteries and Ultracapacitor...

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

    ... and EVs, and NiMH and Li-ion batteries and ultracapacitors. ... by expert and document review, supplemented by selected ... the Stability of Aromatic Redox Shuttles for Overcharge ...

  11. Probing Electron Dynamics with the Laplacian of the Momentum Density

    SciTech Connect (OSTI)

    Sukumar, N.; MacDougall, Preston J.; Levit, M. Creon

    2012-09-24

    This chapter in the above-titled monograph presents topological analysis of the Laplacian of the electron momentum density in organic molecules. It relates topological features in this distribution to chemical and physical properties, particularly aromaticity and electron transport.

  12. A Supramolecular Complex in Small-Molecule Solar Cells based...

    Office of Scientific and Technical Information (OSTI)

    in Small-Molecule Solar Cells based on Contorted Aromatic Molecules Citation Details In-Document Search Title: A Supramolecular Complex in Small-Molecule Solar Cells based on ...

  13. Molecular catalytic coal liquid conversion. Quarterly status...

    Office of Scientific and Technical Information (OSTI)

    The relationship between the turnover number of the catalyst and the reaction time was obtained. Other aromatic compounds such as toluene, n-butylbenzene, tetralin, o-xylene all ...

  14. Molecular catalytic coal liquid conversion. Quarterly status...

    Office of Scientific and Technical Information (OSTI)

    With regards to Task 1, the mechanism of the hydrogenation of aromatic compounds catalyzed by 1,5-HDRhClsub 2buffer system in the presence of small amount of surfactant under ...

  15. VAPOR PRESSURES AND HEATS OF VAPORIZATION OF PRIMARY COAL TARS...

    Office of Scientific and Technical Information (OSTI)

    is concerned with the selection of the model compounds for coal pyrolysis tars and reviews the data available to us on the vapor pressures of high boiling point aromatic compounds. ...

  16. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... is concerned with the selection of the model compounds for coal pyrolysis tars and reviews the data available to us on the vapor pressures of high boiling point aromatic compounds. ...

  17. Colloidal polypyrrole

    DOE Patents [OSTI]

    Armes, Steven P.; Aldissi, Mahmoud

    1990-01-01

    Processable electrically conductive latex polymer compositions including colloidal particles of an oxidized, polymerized aromatic heterocyclic monomer, a stabilizing effective amount of a vinyl pyridine-containing polymer and dopant anions and a method of preparing such polymer compositions are disclosed.

  18. Reactor apparatus

    DOE Patents [OSTI]

    Echtler, J. Paul (Pittsburgh, PA)

    1981-01-01

    A reactor apparatus for hydrocracking a polynuclear aromatic hydrocarbonaceous feedstock to produce lighter hydrocarbon fuels by contacting the hydrocarbonaceous feedstock with hydrogen in the presence of a molten metal halide catalyst.

  19. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    Molecular catalytic hydrogenation of aromatic hydrocarbons and hydrotreating of coal liquids.","Yang, Shiyong; Stock, L.M.","1996-05-01T04:00:00Z",466864,"10.2172466864","DOEPC...

  20. Synthesis of N,N'-dialkyl-4'bipyridinium reagents

    DOE Patents [OSTI]

    Wrighton, Mark S.; Bookbinder, Dana C.

    1984-09-25

    A novel class of dialkyl and dialkyl-aromatic viologens (4,4'dipyridinium compounds) and their salts which may be polymerized and covalently bonded to electrodes for use in electronic display systems.

  1. Functional electrolyte for lithium-ion batteries

    DOE Patents [OSTI]

    Zhang, Lu; Zhang, Zhengcheng; Amine, Khalil

    2015-04-14

    Functional electrolyte solvents include compounds having at least one aromatic ring with 2, 3, 4 or 5 substituents, at least one of which is a substituted or unsubstituted methoxy group, at least one of which is a tert-butyl group and at least one of which is a substituted or unsubstituted polyether or poly(ethylene oxide) (PEO) group bonded through oxygen to the aromatic ring, are provided.

  2. High effective atomic number polymer scintillators for gamma ray spectroscopy

    DOE Patents [OSTI]

    Cherepy, Nerine Jane; Sanner, Robert Dean; Payne, Stephen Anthony; Rupert, Benjamin Lee; Sturm, Benjamin Walter

    2014-04-15

    A scintillator material according to one embodiment includes a bismuth-loaded aromatic polymer having an energy resolution at 662 keV of less than about 10%. A scintillator material according to another embodiment includes a bismuth-loaded aromatic polymer having a fluor incorporated therewith and an energy resolution at 662 keV of less than about 10%. Additional systems and methods are also presented.

  3. Decontamination performance of selected in situ technologies for jet fuel contamination. Master's thesis

    SciTech Connect (OSTI)

    Chesley, G.D.

    1993-01-01

    Specific study of jet fuel is warranted because of the quantitive and qualitative component differences between jet fuel and other hydrocarbon fuels. Quantitatively, jet fuel contains a larger aliphatic or saturate fraction and a smaller aromatic fraction than other fuels (i.e. heating oil and diesel oil) in the medium-boiling-point-distillate class of fuels. Since the aliphatic and aromatic fractions of fuel are not equally susceptible to biodegradation, jet fuel decontamination using biodegradation may be different from other fuels.

  4. Section 54

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

    eT ' A (z T &z b ) )s vT m zT zB wNsN v dz BIR' I z C z B (wNsN v ) dz I z T z C (wNsN v ) dz < BIR max , q wM z T z B q w s v )s vT s v w eB z c BIR max z B BIR max 2 q v Session Papers 227 Development of an Elevated Mixed Layer Model for Parameterizing Altocumulus Cloud Layers S. Liu and S. K. Krueger Department of Meteorology University of Utah, Salt Lake City, Utah Introduction Altocumulus (Ac) clouds play an important role in the earth's energy budget through their effects on solar

  5. Appendix B Surface Infiltration and Aquifer Test Data

    Office of Legacy Management (LM)

    B Surface Infiltration and Aquifer Test Data This page intentionally left blank ... 1000 1100 1200 1300 1400 TIME (MIN) INF-8 TEST I 300 400 TIME (MIN) INF-8 TEST 2 200 250 ...

  6. PowerPoint Presentation

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

    Inlet Pressure (psi) Min. Flow Rate (lbsMWhr) Total Min. Flow Rate (lbhr) Allison 15 200 9500 142,500 MAN Turbo 50 50 9500 475,000 Dresser Rand 134 830 9500 1,273,000 Alston 300 ...

  7. NUG Training 2012

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

    GPU codes on Dirac, Hemant Shukla, NERSC ( 30 min ) 15:50 - Debugging with DDT, Woo-Sun Yang, NERSC ( 45 min ) 16:35 - Hands On: Q&A with NERSC Consultants 17:00 - Adjourn...

  8. NUG 2013: Training - Getting Started at NERSC

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

    ( 30 min ) 14:05 - Break 14:20 - Using Python on Hopper, Carver and Edison - Woo-Sun Yang & Jack Deslippe, NERSC ( 15 Min ) 14:35 - Scripting for Complex Job Workflows - Doug...

  9. Policy Flash 2015-04 | Department of Energy

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

    or at sharon.archer@hq.doe.gov Attachments: PDF icon Policy Flash 2015-04 - Class Dev Min Wage.pdf PDF icon Class Dev Min Wage - Attach 1 Clause 52 222-99.pdf PDF icon Class...

  10. 1

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

    a delta-Eddington approach or with the more exact code developed by Min (Min and Harrison 1996). In practice, the values obtained with the two approaches were very similar....

  11. Office of Civil Rights NA-1.2 VIDEO LIBRARY Item Title

    National Nuclear Security Administration (NNSA)

    and Long Term Services Department 1 DVD 60 min 2010 NNSA IT Division 8 EEO FWP "Breast Cancer Awareness" w Dr. William Thompson 1 DVD 60 min 2011 NNSA IT Division 9 EEO FWP...

  12. Inverse Design Summer School brochure, Sept 2011

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

    experiment: Synthesis (25 min) A. Zakutayev Characterization (25 min) J. Perkins 3:00 - 3:50 Verification by specialized theory S. Lany 4:00 - 5:30 Time for informal...

  13. Vehicle Technologies Office: AVTA- Plug-In Hybrid Electric Vehicles Performance and Testing Data

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Data on the plug-in hybrid electric version of the following vehicles is available: 2013 Ford Fusion Energi, 2013 Ford C-Max Energi Fleet, 2013 Ford C-Max Energi, 2012 Chevrolet Volt, 2012 Toyota Prius, 2013 Toyota Prius, 2013 Chevrolet Volt, 2011 Chrysler Town & Country, 2010 Quantum Escape, and 2010 Ford Escape Advanced Research Vehicle.

  14. Hopper Featured Announcements

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

    May 2012 max walltime for low queue is increased to 24 hrs on Hopper May 31, 2012 by Helen He We have increased the max walltime for the low queue on Hopper from 12 to 24 hrs. Read the full post Hopper compilers and DDT short outage next Wed, May 16 May 10, 2012 Due to a scheduled maintenance for the License Servers, most of the compilers (except GNU) and the DDT debugger on Hopper will not be available from 10:30 am to 12:30 pm on Wednesday, May 16. If there are any questions or concerns,

  15. Beamline 8.3.1

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

    1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3

  16. Beamline 8.3.1

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

    1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3

  17. Beamline 8.3.1

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

    3.1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3

  18. Beamline 8.3.1

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

    1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3

  19. Beamline 8.3.1

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

    1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3

  20. Beamline 8.3.1

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

    8.3.1 Beamline 8.3.1 Print Tuesday, 20 October 2009 08:55 Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x