National Library of Energy BETA

Sample records for organic chemical compounds

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

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

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

    2015-10-01

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

  2. Real-time monitoring of volatile organic compounds using chemical ionization mass spectrometry

    DOE Patents [OSTI]

    Mowry, Curtis Dale (Albuquerque, NM); Thornberg, Steven Michael (Peralta, NM)

    1999-01-01

    A system for on-line quantitative monitoring of volatile organic compounds (VOCs) includes pressure reduction means for carrying a gaseous sample from a first location to a measuring input location maintained at a low pressure, the system utilizing active feedback to keep both the vapor flow and pressure to a chemical ionization mode mass spectrometer constant. A multiple input manifold for VOC and gas distribution permits a combination of calibration gases or samples to be applied to the spectrometer.

  3. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    SciTech Connect (OSTI)

    Apel, Eric; Emmons, L.; Karl, Thomas G.; Flocke, Frank M.; Hills, A. J.; Madronich, Sasha; Lee-Taylor, J.; Fried, Alan; Weibring, P.; Walega, J.; Richter, Dirk; Tie, X.; Mauldin, L.; Campos, Teresa; Weinheimer, Andrew J.; Knapp, David; Sive, B.; Kleinman, Lawrence I.; Springston, S.; Zaveri, Rahul A.; Ortega, John V.; Voss, Paul B.; Blake, D. R.; Baker, Angela K.; Warneke, Carsten; Welsh-Bon, Daniel; de Gouw, Joost A.; Zheng, J.; Zhang, Renyi; Rudolph, Jochen; Junkermann, W.; Riemer, D.

    2010-01-01

    The volatile organic compound (VOC) distribution in the Mexico City Metropolitan Area (MCMA) and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs) but with a substantial contribution from oxygenated volatile organic compounds (OVOCs), predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry) model and MOZART (Model for Ozone and Related chemical Tracers) were able to reproduce the general features of the daytime cycle of the VOC OH reactivity distribution showing that NMHCs dominate the distribution except in the afternoon hours and that the VOC OH reactivity peaks in the early morning due to high morning emissions from the city into a shallow boundary layer. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. In addition, a plume was studied in which air was advected out of the MCMA and intercepted downwind with the DOE G1 on March 18 and the NCAR C130 one day later on March 19. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind. Ozone and many OVOCs were photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial and temporal extent of the March 19 plume and to help interpret the OH reactivity in the downwind plume. The model results generally showed good agreement with experimental results for the total VOC OH reactivity downwind and gave insight into the distributions of VOC chemical classes downwind. A box model with detailed gas phase chemistry (NCAR Master Mechanism), initialized with concentrations observed at one of the ground sites in the MCMA, was used to examine the expected evolution of specific VOCs over a 1-2 day period. The models clearly supported the experimental evidence for NMHC oxidation leading to the formation of OVOCs downwind, which then become the primary fuel for ozone production far away from the MCMA.

  4. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    SciTech Connect (OSTI)

    Apel, E.; Springston, S.; Karl, T.; Emmons, L.; Flocke, F.; Hills, A. J.; Madronich, S.; Lee-Taylor, J.; Fried, A.; Weibring, P.; Walega, J.; Richter, D., Tie, X.; Mauldin, L.; Campos, T.; Sive, B.; Kleinman, L.; Springston, S., Zaveri, R.; deGouw, J.; Zheng, J.; Zhang, R.; Rudolph, J.; Junkermann, W.; Riemer, D. D.

    2009-11-01

    The volatile organic compound (VOC) distribution in the Mexico City Metropolitan Area (MCMA) and its evolution as it is uplifted and transported out of the MCMA basin was studied during the 2006 MILAGRO/MIRAGE-Mex field campaign. The results show that in the morning hours in the city center, the VOC distribution is dominated by non-methane hydrocarbons (NMHCs) but with a substantial contribution from oxygenated volatile organic compounds (OVOCs), predominantly from primary emissions. Alkanes account for a large part of the NMHC distribution in terms of mixing ratios. In terms of reactivity, NMHCs also dominate overall, especially in the morning hours. However, in the afternoon, as the boundary layer lifts and air is mixed and aged within the basin, the distribution changes as secondary products are formed. The WRF-Chem (Weather Research and Forecasting with Chemistry) model and MOZART (Model for Ozone and Related chemical Tracers) were able to reproduce the general features of the daytime cycle of the VOC OH reactivity distribution showing that NMHCs dominate the distribution except in the afternoon hours and that the VOC OH reactivity peaks in the early morning due to high morning emissions from the city into a shallow boundary layer. The WRF-Chem and MOZART models showed higher reactivity than the experimental data during the nighttime cycle, perhaps indicating problems with the modeled nighttime boundary layer height. In addition, a plume was studied in which air was advected out of the MCMA and intercepted downwind with the DOE G1 on 18 March and the NCAR C130 one day later on 19 March. A number of identical species measured aboard each aircraft gave insight into the chemical evolution of the plume as it aged and was transported as far as 1000 km downwind. Ozone and many OVOCs were photochemically produced in the plume. The WRF-Chem and MOZART models were used to examine the spatial and temporal extent of the 19 March plume and to help interpret the OH reactivity in the downwind plume. The model results generally showed good agreement with experimental results for the total VOC OH reactivity downwind and gave insight into the distributions of VOC chemical classes downwind. A box model with detailed gas phase chemistry (NCAR Master Mechanism), initialized with concentrations observed at one of the ground sites in the MCMA, was used to examine the expected evolution of specific VOCs over a 1-2 day period. The models clearly supported the experimental evidence for NMHC oxidation leading to the formation of OVOCs downwind, which then become the primary fuel for ozone production far away from the MCMA.

  5. Metal organic chemical vapor deposition of 111-v compounds on silicon

    DOE Patents [OSTI]

    Vernon, Stanley M. (Wellesley, MA)

    1986-01-01

    Expitaxial composite comprising thin films of a Group III-V compound semiconductor such as gallium arsenide (GaAs) or gallium aluminum arsenide (GaAlAs) on single crystal silicon substrates are disclosed. Also disclosed is a process for manufacturing, by chemical deposition from the vapor phase, epitaxial composites as above described, and to semiconductor devices based on such epitaxial composites. The composites have particular utility for use in making light sensitive solid state solar cells.

  6. Astatinated organic compounds

    DOE Patents [OSTI]

    Milius, R.A.; Lambrecht, R.M.; Bloomer, W.D.

    1989-05-02

    Methods and kits for incorporating a radioactive astatine isotope (particularly [sup 211]At) into an organic compound by electrophilic astatodestannylation of organostannanes. 3 figs.

  7. Photocatalytic and chemical oxidation of organic compounds in supercritical carbon dioxide. Progress report for FY97

    SciTech Connect (OSTI)

    Blake, D.M.; Bryant, D.L.; Reinsch, V.

    1997-09-30

    'The background for the project is briefly reviewed and the work done during the nine months since funding was received is documented. Work began in January, 1997. A post doctoral fellow joined the team in April. The major activities completed this fiscal year were: staffing the project, design of the experimental system, procurement of components, assembly of the system. preparation of the Safe Operating Procedure and ES and H compliance, pressure testing, establishing data collection and storage methodology, and catalyst preparation. Objective The objective of the project is to develop new chemistry for the removal of organic contaminants from supercritical carbon dioxide. This has application in processes used for continuous cleaning and extraction of parts and waste materials. A secondary objective is to increase the fundamental understanding of photocatalytic chemistry. Cleaning and extraction using supercritical carbon dioxide (scCO{sub 2}) can be applied to the solution of a wide range of environmental and pollution prevention problems in the DOE complex. Work is being done that explores scCO{sub 2} in applications ranging from cleaning contaminated soil to cleaning components constructed from plutonium. The rationale for use of scCO{sub 2} are based on the benign nature, availability and low cost, attractive solvent properties, and energy efficient separation of the extracted solute from the solvent by moderate temperature or pressure changes. To date, R and D has focussed on the methods and applications of the extraction steps of the process. Little has been done that addresses methods to polish the scCO{sub 2} for recycle in the cleaning or extraction operations. In many applications it will be desirable to reduce the level of contamination from that which would occur at steady state operation of a process. This proposal addresses chemistry to achieve that. This would be an alternative to removing a fraction of the contaminated scCO{sub 2} for disposal and using makeup scCO{sub 2}. A chemical polishing operation can reduce the release of CO{sub 2} from the process. It can also reduce the consumption of reagents that may be used in the process to enhance extraction and cleaning. A polishing operation will also reduce or avoid formation of an additional waste stream. Photocatalytic and other photochemical oxidation chemistry have not been investigated in scCO{sub 2}. The large base of information for these reactions in water, organic solvents, or air suggest that the chemistry will work in carbon dioxide. There are compelling reasons to believe that the properties of scCO{sub 2} should increase the performance of photocatalytic chemistry over that found in more conventional fluid phases.'

  8. Devices for collecting chemical compounds

    SciTech Connect (OSTI)

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  9. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    E-Print Network [OSTI]

    2010-01-01

    MEX 1 . Compound C-130 T0 T1 G1 Ethane Propane i-Butanen-Butane i-Pentane n-Pentane n-Hexane n-Heptane n-OctaneEthyne Propane Propene i-Butane n-Butane 1-Butene + i-Butene

  10. A study of the tropospheric oxidation of volatile organic compounds using chemical ionization mass spectrometry

    E-Print Network [OSTI]

    Broekhuizen, Keith Edward, 1974-

    2002-01-01

    The mechanisms and kinetics of reactions important to the troposphere have been investigated using a high pressure, turbulent, discharge-flow technique coupled to a chemical ionization mass spectrometer. The ability to ...

  11. The conversion of solar energy to the chemical energy of organic compounds is a complex process that includes electron transport and

    E-Print Network [OSTI]

    Ehleringer, Jim

    The conversion of solar energy to the chemical energy of organic compounds is a complex process of stress are covered in Chapter 26. The impact of the environment on photosynthesis is of interest to plant on environmental conditions is also important to agronomists because plant productivity, and hence crop yield, de

  12. Volatile organic compound sensor system

    DOE Patents [OSTI]

    Schabron, John F.; Rovani, Jr., Joseph F.; Bomstad, Theresa M.; Sorini-Wong, Susan S.; Wong, Gregory K.

    2011-03-01

    Generally, this invention relates to the development of field monitoring methodology for new substances and sensing chemical warfare agents (CWAs) and terrorist substances. It also relates to a portable test kit which may be utilized to measure concentrations of halogenated volatile organic compounds (VOCs) in the field. Specifically it relates to systems for reliably field sensing the potential presence of such items while also distinguishing them from other elements potentially present. It also relates to overall systems and processes for sensing, reacting, and responding to an indicated presence of such substance, including modifications of existing halogenated sensors and arrayed sensing systems and methods.

  13. Volatile organic compound sensor system

    DOE Patents [OSTI]

    Schabron, John F. (Laramie, WY); Rovani, Jr., Joseph F. (Laramie, WY); Bomstad, Theresa M. (Laramie, WY); Sorini-Wong, Susan S. (Laramie, WY)

    2009-02-10

    Generally, this invention relates to the development of field monitoring methodology for new substances and sensing chemical warfare agents (CWAs) and terrorist substances. It also relates to a portable test kit which may be utilized to measure concentrations of halogenated volatile organic compounds (VOCs) in the field. Specifically it relates to systems for reliably field sensing the potential presence of such items while also distinguishing them from other elements potentially present. It also relates to overall systems and processes for sensing, reacting, and responding to an indicated presence of such substance, including modifications of existing halogenated sensors and arrayed sensing systems and methods.

  14. Organic electronic devices using phthalimide compounds

    DOE Patents [OSTI]

    Hassan, Azad M.; Thompson, Mark E.

    2010-09-07

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  15. Organic electronic devices using phthalimide compounds

    DOE Patents [OSTI]

    Hassan, Azad M.; Thompson, Mark E.

    2012-10-23

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  16. Organic electronic devices using phthalimide compounds

    DOE Patents [OSTI]

    Hassan, Azad M.; Thompson, Mark E.

    2013-03-19

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  17. Complex Compound Chemical Heat Pumps 

    E-Print Network [OSTI]

    Rockenfeller, U.; Langeliers, J.; Horn, G.

    1987-01-01

    Complex-compound solid-vapor fluid pairs can be used in heat of reaction heat pumps for temperature amplifier (TA) as well as heat amplifier (HA) cycle configurations. This report describes the conceptual hardware design for complex compound...

  18. Volatile organic compound sensing devices

    DOE Patents [OSTI]

    Lancaster, Gregory D. (Idaho Falls, ID); Moore, Glenn A. (Idaho Falls, ID); Stone, Mark L. (Idaho Falls, ID); Reagen, William K. (Stillwater, MN)

    1995-01-01

    Apparatus employing vapochromic materials in the form of inorganic double complex salts which change color reversibly when exposed to volatile organic compound (VOC) vapors is adapted for VOC vapor detection, VOC aqueous matrix detection, and selective VOC vapor detection. The basic VOC vapochromic sensor is incorporated in various devices such as a ground probe sensor, a wristband sensor, a periodic sampling monitor, a soil/water penetrometer, an evaporative purge sensor, and various vacuum-based sensors which are particularly adapted for reversible/reusable detection, remote detection, continuous monitoring, or rapid screening of environmental remediation and waste management sites. The vapochromic sensor is used in combination with various fiber optic arrangements to provide a calibrated qualitative and/or quantitative indication of the presence of VOCs.

  19. Volatile organic compound sensing devices

    DOE Patents [OSTI]

    Lancaster, G.D.; Moore, G.A.; Stone, M.L.; Reagen, W.K.

    1995-08-29

    Apparatus employing vapochromic materials in the form of inorganic double complex salts which change color reversibly when exposed to volatile organic compound (VOC) vapors is adapted for VOC vapor detection, VOC aqueous matrix detection, and selective VOC vapor detection. The basic VOC vapochromic sensor is incorporated in various devices such as a ground probe sensor, a wristband sensor, a periodic sampling monitor, a soil/water penetrometer, an evaporative purge sensor, and various vacuum-based sensors which are particularly adapted for reversible/reusable detection, remote detection, continuous monitoring, or rapid screening of environmental remediation and waste management sites. The vapochromic sensor is used in combination with various fiber optic arrangements to provide a calibrated qualitative and/or quantitative indication of the presence of VOCs. 15 figs.

  20. 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.

  1. 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.

  2. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    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.

  3. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

    Smith, Jr., Lawrence A. (Houston, TX)

    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.

  4. 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.

  5. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    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.

  6. Dosimeter for monitoring vapors and aerosols of organic compounds

    DOE Patents [OSTI]

    Vo-Dinh, T.

    1987-07-14

    A dosimeter is provided for collecting and detecting vapors and aerosols of organic compounds. The dosimeter comprises a lightweight, passive device that can be conveniently worn by a person as a badge or placed at a stationary location. The dosimeter includes a sample collector comprising a porous web treated with a chemical for inducing molecular displacement and enhancing phosphorescence. Compounds are collected onto the web by molecular diffusion. The web also serves as the sample medium for detecting the compounds by a room temperature phosphorescence technique. 7 figs.

  7. Dosimeter for monitoring vapors and aerosols of organic compounds

    DOE Patents [OSTI]

    Vo-Dinh, Tuan (625 Gulfwood Rd., Knoxville, TN 37923)

    1987-01-01

    A dosimeter is provided for collecting and detecting vapors and aerosols of organic compounds. The dosimeter comprises a lightweight, passive device that can be conveniently worn by a person as a badge or placed at a stationary location. The dosimeter includes a sample collector comprising a porous web treated with a chemical for inducing molecular displacement and enhancing phosphorescence. Compounds are collected onto the web by molecular diffusion. The web also serves as the sample medium for detecting the compounds by a room temperature phosphorescence technique.

  8. Alkylation of organic aromatic compounds

    DOE Patents [OSTI]

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

    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.

  9. 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.

  10. The Periodic Table as a Part of the Periodic Table of Chemical Compounds

    E-Print Network [OSTI]

    Labushev, Mikhail M

    2011-01-01

    The numbers of natural chemical elements, minerals, inorganic and organic chemical compounds are determined by 1, 2, 3 and 4-combinations of a set 95 and are respectively equal to 95, 4,465, 138,415 and 3,183,545. To explain these relations it is suggested the concept of information coefficient of proportionality as mathematical generalization of the proportionality coefficient for any set of positive numbers. It is suggested a hypothesis that the unimodal distributions of the sets of information coefficients of proportionality for atomic weights of chemical elements of minerals and chemical compounds correspond to unimodal distributions of the above sets for combination of 2, 3 and 4 atomic weights of 95 natural chemical elements. The expected values of symmetrized distributions of information coefficients of proportionality sets for atomic weights of minerals and chemical compounds are proposed to be used to define chemical compounds, like atomic weights define chemical elements. Variational series of the e...

  11. Organic photosensitive devices using subphthalocyanine compounds

    DOE Patents [OSTI]

    Rand, Barry (Princeton, NJ); Forrest, Stephen R. (Ann Arbor, MI); Mutolo, Kristin L. (Hollywood, CA); Mayo, Elizabeth (Alhambra, CA); Thompson, Mark E. (Anaheim Hills, CA)

    2011-07-05

    An organic photosensitive optoelectronic device, having a donor-acceptor heterojunction of a donor-like material and an acceptor-like material and methods of making such devices is provided. At least one of the donor-like material and the acceptor-like material includes a subphthalocyanine, a subporphyrin, and/or a subporphyrazine compound; and/or the device optionally has at least one of a blocking layer or a charge transport layer, where the blocking layer and/or the charge transport layer includes a subphthalocyanine, a subporphyrin, and/or a subporphyrazine compound.

  12. Class 2 Permit Modification Request Revise Volatile Organic Compound...

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

    Monitoring Program scfm standard cubic feet per minute (ft 3 min) TCE trichloroethylene TIC tentatively identified compound TRU transuranic VOC volatile organic compound WIPP...

  13. Device for collecting chemical compounds and related methods

    DOE Patents [OSTI]

    Scott, Jill R.; Groenewold, Gary S.; Rae, Catherine

    2013-01-01

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from the fixed surfaces so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  14. Chemical Genetics: Elucidating Biological Systems with Small-Molecule Compounds

    E-Print Network [OSTI]

    Nghiem, Paul

    Chemical Genetics: Elucidating Biological Systems with Small-Molecule Compounds Masaoki Kawasumi1 and Paul Nghiem1,2 Chemical genetics employs diverse small-molecule compounds to elucidate biological chemical genetic approach, whereas the reverse approach involves small molecules targeting a single protein

  15. Temperature dependence of volatile organic compound evaporative emissions from motor vehicles

    E-Print Network [OSTI]

    Goldstein, Allen

    Temperature dependence of volatile organic compound evaporative emissions from motor vehicles Juli tailpipe sources to motor vehicle volatile organic compound (VOC) emissions. Contributions were determined in a highway tunnel were used to define the composition of running vehicle emissions. The chemical mass balance

  16. Palladium catalyzed hydrogenation of bio-oils and organic compounds

    DOE Patents [OSTI]

    Elliott, Douglas C. (Richland, WA); Hu, Jianli (Kennewick, WA); Hart, Todd R. (Kennewick, WA); Neuenschwander, Gary G. (Burbank, WA)

    2008-09-16

    The invention provides palladium-catalyzed hydrogenations of bio-oils and certain organic compounds. Experimental results have shown unexpected and superior results for palladium-catalyzed hydrogenations of organic compounds typically found in bio-oils.

  17. Palladium catalyzed hydrogenation of bio-oils and organic compounds

    DOE Patents [OSTI]

    Elliott, Douglas C [Kennewick, WA; Hu, Jianli [Richland, WA; Hart,; Todd, R [Kennewick, WA; Neuenschwander, Gary G [Burbank, WA

    2011-06-07

    The invention provides palladium-catalyzed hydrogenations of bio-oils and certain organic compounds. Experimental results have shown unexpected and superior results for palladium-catalyzed hydrogenations of organic compounds typically found in bio-oils.

  18. Improved land cover and emission factors for modeling biogenic volatile organic compounds emissions from Hong Kong

    E-Print Network [OSTI]

    Leung, DYC; Wong, P; Cheung, BKH; Guenther, A

    2010-01-01

    organic compounds emissions in Hong Kong. Atmosphericvolatile organic compounds emission inventory for Beijing.volatile organic compound emissions. Journal of Geophysical

  19. Finding frequent substructures in chemical compounds Luc Dehaspe

    E-Print Network [OSTI]

    Toivonen, Hannu

    @aber.ac.uk Abstract The discovery of the relationships between chemical structure and biological function is centralFinding frequent substructures in chemical compounds Luc Dehaspe Dept. of Computer Science chemical carcino­ genicity. This toxicology application was launched at IJCAI'97 as a research challenge

  20. Methods and compounds for chemical ligation

    DOE Patents [OSTI]

    Church, George M.; Sismour, A. Michael

    2013-07-09

    Compositions and methods for chemical ligation are provided. Methods for nucleic acid sequencing, nucleic acid assembly and nucleic acid synthesis are also provided.

  1. Chemical Organization Theory as a Theoretical Base for Chemical Computing

    E-Print Network [OSTI]

    Dittrich, Peter

    Chemical Organization Theory as a Theoretical Base for Chemical Computing NAOKI MATSUMARU, FLORIAN-07743 Jena, Germany http://www.minet.uni-jena.de/csb/ Submitted 14 November 2005 In chemical computing- gramming chemical systems a theoretical method to cope with that emergent behavior is desired

  2. Identification and quantification of organic chemicals in supplemental fuel blends

    SciTech Connect (OSTI)

    Salter, F.

    1996-12-31

    Continental Cement Company, Inc. (Continental) burns waste fuels to supplement coal in firing the kiln. It is to be expected that federal and state agencies want an accounting of the chemicals burned. As rules and regulations become more plentiful, a company such as Continental must demonstrate that it has made a reasonable attempt to identify and quantify many specific organic compounds. The chemicals on the SARA 313 list can change frequently. Also the number and concentrations of compounds that can disqualify a material from consideration as a supplemental fuel at Continental continues to change. A quick and reliable method of identifying and quantifying organics in waste fuel blends is therefore crucial. Using a Hewlett-Packard 5972 GC/MS system Continental has developed a method of generating values for the total weight of compounds burned. A similar procedure is used to verify that waste streams meet Continental`s acceptance criteria.

  3. Clean process to destroy arsenic-containing organic compounds with recovery of arsenic

    DOE Patents [OSTI]

    Upadhye, R.S.; Wang, F.T.

    1996-08-13

    A reduction method is provided for the treatment of arsenic-containing organic compounds with simultaneous recovery of pure arsenic. Arsenic-containing organic compounds include pesticides, herbicides, and chemical warfare agents such as Lewisite. The arsenic-containing compound is decomposed using a reducing agent. Arsine gas may be formed directly by using a hydrogen-rich reducing agent, or a metal arsenide may be formed using a pure metal reducing agent. In the latter case, the arsenide is reacted with an acid to form arsine gas. In either case, the arsine gas is then reduced to elemental arsenic. 1 fig.

  4. Chemical Compound Navigator: A Web-Based Chem-BLAST, Chemical Taxonomy-Based Search Engine for Browsing

    E-Print Network [OSTI]

    Chemical Compound Navigator: A Web-Based Chem-BLAST, Chemical Taxonomy-Based Search Engine, query, and analyze chemical compounds has been developed and is illustrated by using the inhibitor data on HIV protease-inhibitor complexes. In this method, all chemical compounds are annotated in terms

  5. Process for reducing organic compounds with calcium, amine, and alcohol

    DOE Patents [OSTI]

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

    1985-08-06

    Olefins are produced by contacting an organic compound having at least one benzene ring with calcium metal, ethylenediamine, a low molecular weight aliphatic alcohol, and optionally a low molecular weight aliphatic primary amine, and/or an inert, abrasive particulate substance. The reduction is conducted at temperatures ranging from about [minus]10 C to about 30 C or somewhat higher. Substantially all of the organic compounds are converted to corresponding cyclic olefins, primarily diolefins.

  6. Process for reducing organic compounds with calcium, amine, and alcohol

    DOE Patents [OSTI]

    Benkeser, Robert A. (West Lafayette, IN); Laugal, James A. (Lostant, IL); Rappa, Angela (Baltimore, MD)

    1985-01-01

    Olefins are produced by contacting an organic compound having at least one benzene ring with calcium metal, ethylenediamine, a low molecular weight aliphatic alcohol, and optionally a low molecular weight aliphatic primary amine, and/or an inert, abrasive particulate substance. The reduction is conducted at temperatures ranging from about -10.degree. C. to about 30.degree. C. or somewhat higher. Substantially all of the organic compounds are converted to corresponding cyclic olefins, primarily diolefins.

  7. Chemical characterization of dissolved organic matter (DOM) in seawater : structure, cycling, and the role of biology

    E-Print Network [OSTI]

    Quan, Tracy M. (Tracy Michelle), 1977-

    2005-01-01

    The goal of this thesis is to investigate three different areas relating to the characterization of dissolved organic matter (DOM): further determination of the chemical compounds present in high molecular weight DOM ...

  8. Common Indoor Sources of volatile organic compounds: emission rates and techniques for reducing consumer exposures

    E-Print Network [OSTI]

    Hodgson, A.T.

    2011-01-01

    categories. Latex paints contain organic solvents such assemivolatile organic compounds from waterborne paint - Theorganic compounds from PVC flooring, carpet and paint.

  9. Three Packets of Minerals of the Periodic Table of Chemical Elements and Chemical Compounds

    E-Print Network [OSTI]

    Mikhail M. Labushev

    2013-03-20

    The concepts of alpha- and beta-packets of the periodic table of chemical elements and chemical compounds are defined. The first of the 47 minerals alpha-packets is composed. In it all minerals are arranged in increasing Iav index of proportionality of atomic weights of composing chemical elements, the same way as chemical elements are located in increasing atomic weights in the Periodic table. The packet includes 93 known minerals and two compounds - N2O5 and CO2 - being actually minerals. Beta-packet of oxides and hydroxides minerals includes 88 known minerals and five chemical compounds - N2O5, CO2, CO, SO3 and SO2. Two minerals of the packet have not been determined yet. Besides, beta-packet of minerals with sulfur, selenium or arsenic is composed, with one mineral not defined yet. The results of the calculations can be used for further development of the Periodic Table of Chemical Elements and Chemical Compounds and their properties investigation.

  10. Three Packets of Minerals of the Periodic Table of Chemical Elements and Chemical Compounds

    E-Print Network [OSTI]

    Labushev, Mikhail M

    2013-01-01

    The concepts of alpha- and beta-packets of the periodic table of chemical elements and chemical compounds are defined. The first of the 47 minerals alpha-packets is composed. In it all minerals are arranged in increasing Iav index of proportionality of atomic weights of composing chemical elements, the same way as chemical elements are located in increasing atomic weights in the Periodic table. The packet includes 93 known minerals and two compounds - N2O5 and CO2 - being actually minerals. Beta-packet of oxides and hydroxides minerals includes 88 known minerals and five chemical compounds - N2O5, CO2, CO, SO3 and SO2. Two minerals of the packet have not been determined yet. Besides, beta-packet of minerals with sulfur, selenium or arsenic is composed, with one mineral not defined yet. The results of the calculations can be used for further development of the Periodic Table of Chemical Elements and Chemical Compounds and their properties investigation.

  11. Oxidation of atmospheric organic carbon : interconnecting volatile organic compounds, intermediate-volatility organic compounds, and organic aerosol

    E-Print Network [OSTI]

    Hunter, James Freeman

    2015-01-01

    .Organic molecules have many important roles in the atmosphere, acting as climate and biogeochemical forcers, and in some cases as toxic pollutants. The lifecycle of atmospheric organic carbon is extremely complex, with ...

  12. Methods and systems for chemoautotrophic production of organic compounds

    DOE Patents [OSTI]

    Fischer, Curt R.; Che, Austin J.; Shetty, Reshma P.; Kelly, Jason R.

    2013-01-08

    The present disclosure identifies pathways, mechanisms, systems and methods to confer chemoautotrophic production of carbon-based products of interest, such as sugars, alcohols, chemicals, amino acids, polymers, fatty acids and their derivatives, hydrocarbons, isoprenoids, and intermediates thereof, in organisms such that these organisms efficiently convert inorganic carbon to organic carbon-based products of interest using inorganic energy, such as formate, and in particular the use of organisms for the commercial production of various carbon-based products of interest.

  13. Glossary of Volatile Organic Compounds Ethylbenzene Carbon tetrachloride

    E-Print Network [OSTI]

    Glossary of Volatile Organic Compounds · Ethylbenzene · Carbon tetrachloride · Benzene · 1 and petroleum. It is also found in manufactured products such as inks, insecticides, and paints. Ethylbenzene, carpet glues, varnishes and paints, and use of tobacco. Some people are exposed to ethylbenzene at work

  14. Volatile Organic Compounds in Untreated Ambient Groundwater of

    E-Print Network [OSTI]

    Volatile Organic Compounds in Untreated Ambient Groundwater of the United States, 1985-1995 P A U L, ambient groundwater of the conterminous United States was conducted based on samples collected from 2948-chloropropane, which had a reporting level of 1.0 µg/L. Because ambient groundwater was targeted, areas of known

  15. Performance specifications for technology development: Application for characterization of volatile organic compounds in the environment

    SciTech Connect (OSTI)

    Carpenter, S.E.; Doskey, P.V.; Erickson, M.D.; Lindahl, P.C.

    1994-07-01

    This report contains information about technology development for the monitoring and remediation of environmental pollution caused by the release of volatile organic compounds. Topics discussed include: performance specification processes, gas chromatography, mass spectrometer, fiber-optic chemical sensors, infrared spectroscopy, Raman spectroscopy, piezoelectric sensors and electrochemical sensors. These methods are analyzed for their cost efficiency, accuracy, and the ability to meet the needs of the customer.

  16. A comparison of the chemical sinks of atmospheric organics in the gas and aqueous phase

    E-Print Network [OSTI]

    Epstein, S. A; Nizkorodov, S. A

    2012-01-01

    for the set of rele- vant organic compounds. Introductionatmospherically rele- vant compounds. In the absence of

  17. Emission, oxidation, and secondary organic aerosol formation of volatile organic compounds as observed at Chebogue Point,

    E-Print Network [OSTI]

    Goldstein, Allen

    acid, formaldehyde, acetaldehyde, tentatively identified formic acid and hydroxyacetone organic aerosol production. We clearly show these compounds do not originate from local sources. We also show these compounds match the oxidation products of isoprene observed in smog chamber studies, and we

  18. Chemical compounds and toxicological assessments of drinking water stored in polyethylene terephthalate (PET)

    E-Print Network [OSTI]

    Short, Daniel

    Chemical compounds and toxicological assessments of drinking water stored in polyethyleneMS, gas chromatographyemass spectrometry; HDPE, high density polyethylene; HULYs, human blood lymphocytes

  19. Maximizing Information from Residential Measurements of Volatile Organic Compounds

    SciTech Connect (OSTI)

    Maddalena, Randy; Li, Na; Hodgson, Alfred; Offermann, Francis; Singer, Brett

    2013-02-01

    Continually changing materials used in home construction and finishing can introduce new chemicals or changes in the VOC profile in residential air and the trend towards tighter homes can lead to higher exposure concentrations for many indoor sources. However, the complex mixture of VOCs in residential air makes it difficult to discover emerging contaminants and/or trends in pollutant profiles. The purpose of this study is to prepare a comprehensive library of chemicals found in homes, along with a semi-quantitative approach to maximize the information gained from VOC measurements. We carefully reviewed data from 108 new California homes and identified 238 individual compounds. The majority of the identified VOCs originated indoors. Only 31% were found to have relevant health based exposure guidelines and less than 10% had a chronic reference exposure level (CREL). The finding highlights the importance of extending IAQ studies to include a wider range of VOCs

  20. Process for removing an organic compound from water

    DOE Patents [OSTI]

    Baker, Richard W. (Palo Alto, CA); Kaschemekat, Jurgen (Palo Alto, CA); Wijmans, Johannes G. (Menlo Park, CA); Kamaruddin, Henky D. (San Francisco, CA)

    1993-12-28

    A process for removing organic compounds from water is disclosed. The process involves gas stripping followed by membrane separation treatment of the stripping gas. The stripping step can be carried out using one or multiple gas strippers and using air or any other gas as stripping gas. The membrane separation step can be carried out using a single-stage membrane unit or a multistage unit. Apparatus for carrying out the process is also disclosed. The process is particularly suited for treatment of contaminated groundwater or industrial wastewater.

  1. OCCURRENCE AND POTENTIAL ADVERSE EFFECTS OF SEMIVOLATILE ORGANIC COMPOUNDS IN STREAMBED SEDIMENT, UNITED STATES, 1992-95

    E-Print Network [OSTI]

    1 OCCURRENCE AND POTENTIAL ADVERSE EFFECTS OF SEMIVOLATILE ORGANIC COMPOUNDS IN STREAMBED SEDIMENT) in streambed sediment were assessed at 536 sites in 20 major river basins across the United States from 1992 density, and PAHs also correlated with physical/chemical properties. On the basis of sediment

  2. Microwave separation of organic chemicals from mixed hazardous waste

    SciTech Connect (OSTI)

    Anderson, A.A.; Albano, R.K.

    1992-01-01

    The feasibility of utilizing the differential heating characteristics of microwave energy (MW) to aid in the chemical extraction and separation process of hazardous organic compounds from mixed hazardous waste, was studied at the INEL. The long-term objective of this work was to identify a practical method of separating or enhancing the separation process of organic hazardous waste components from mixed waste using microwave (MW) frequency radiation. Methods using MW energy for calcination, solidification, and drying of radioactive waste from nuclear facilities is becoming more attractive. In order to study the effectiveness of MW heating, samples of several organic chemicals simulating those which may be found at the Radioactive Waste Management Complex at the INEL were exposed to MW energy. Vapor collection and analysis was performed as a function of time, signal frequency, and MW power throughout the process. Signal frequencies ranging from 900 MHz t 8000 MHz were used. Although the signal frequency bandwidth of the selectivity was quite broad, for the material tested an indication of the frequency dependence in the selectivity of MW heating was given. Greater efficiency in terms of energy used and time required was observed. The relatively large electromagnetic field intensities generated at the resonant frequencies which were supported by the cavity sample holder demonstrated the use of cavity resonance to aid in the process of differential heating.

  3. Microwave separation of organic chemicals from mixed hazardous waste

    SciTech Connect (OSTI)

    Anderson, A.A.; Albano, R.K.

    1992-08-01

    The feasibility of utilizing the differential heating characteristics of microwave energy (MW) to aid in the chemical extraction and separation process of hazardous organic compounds from mixed hazardous waste, was studied at the INEL. The long-term objective of this work was to identify a practical method of separating or enhancing the separation process of organic hazardous waste components from mixed waste using microwave (MW) frequency radiation. Methods using MW energy for calcination, solidification, and drying of radioactive waste from nuclear facilities is becoming more attractive. In order to study the effectiveness of MW heating, samples of several organic chemicals simulating those which may be found at the Radioactive Waste Management Complex at the INEL were exposed to MW energy. Vapor collection and analysis was performed as a function of time, signal frequency, and MW power throughout the process. Signal frequencies ranging from 900 MHz t 8000 MHz were used. Although the signal frequency bandwidth of the selectivity was quite broad, for the material tested an indication of the frequency dependence in the selectivity of MW heating was given. Greater efficiency in terms of energy used and time required was observed. The relatively large electromagnetic field intensities generated at the resonant frequencies which were supported by the cavity sample holder demonstrated the use of cavity resonance to aid in the process of differential heating.

  4. Membrane-Organized Chemical Photoredox Systems

    SciTech Connect (OSTI)

    Hurst, James K.

    2014-09-18

    This project has three interrelated goals relevant to solar water photolysis, which are to develop: (1) vesicle-organized assemblies for H2 photoproduction that utilize pyrylium and structurally related compounds as combined photosensitizers and cyclic electroneutral transmembrane electron carriers; (2) transmembrane redox systems whose reaction rates can be modulated by light; and (3) homogeneous catalysts for water oxidation. . In area (1), initial efforts to photogenerate H2 from vectorially-organized vesicles containing occluded colloidal Pt and commonly available pyrylium ions as transmembrane redox mediators were unsuccessful. New pyrylium compounds with significantly lower reduction potentials have been synthesized to address this problem, their apparent redox potentials in functioning systems have been now evaluated by using a series of occluded viologens, and H2 photoproduction has been demonstrated in continuous illumination experiments. In area (2), spirooxazine-quinone dyads have been synthesized and their capacity to function as redox mediators across bilayer membranes has been evaluated through continuous photolysis and transient spectrophotometric measurements. Photoisomerization of the spiro moiety to the ring-open mero form caused net quantum yields to decrease significantly, providing a basis for photoregulation of transmembrane redox. Research on water oxidation (area 3) has been directed at understanding mechanisms of catalysis by cis,cis-[(bpy)2Ru(OH2)]2O4+ and related polyimine complexes. Using a variety of physical techniques, we have: (i) identified the redox state of the complex ion that is catalytically active; (ii) shown using 18O isotopic labeling that there are two reaction pathways, both of which involve participation of solvent H2O; and (iii) detected and characterized by EPR and resonance Raman spectroscopies new species which may be key intermediates in the catalytic cycle.

  5. Chemical Organizations in a Toy Model of the Political System

    E-Print Network [OSTI]

    Dittrich, Peter

    Chemical Organizations in a Toy Model of the Political System Peter Dittrich1 and Lars Winter2,3 1 social phenomena, we discuss in this paper, whether and how the metaphor of a chemical reaction network of the political system inspired by Luhmann, we demonstrate how chemical organization theory can be applied and can

  6. Hybrid energy storage systems utilizing redox active organic compounds

    DOE Patents [OSTI]

    Wang, Wei; Xu, Wu; Li, Liyu; Yang, Zhenguo

    2015-09-08

    Redox flow batteries (RFB) have attracted considerable interest due to their ability to store large amounts of power and energy. Non-aqueous energy storage systems that utilize at least some aspects of RFB systems are attractive because they can offer an expansion of the operating potential window, which can improve on the system energy and power densities. One example of such systems has a separator separating first and second electrodes. The first electrode includes a first current collector and volume containing a first active material. The second electrode includes a second current collector and volume containing a second active material. During operation, the first source provides a flow of first active material to the first volume. The first active material includes a redox active organic compound dissolved in a non-aqueous, liquid electrolyte and the second active material includes a redox active metal.

  7. Process for preparing a chemical compound enriched in isotope content. [nitrogen 15-enriched nitric acid

    DOE Patents [OSTI]

    Michaels, E.D.

    1981-02-25

    A process to prepare a chemical enriched in isotope content includes: a chemical exchange reaction between a first and second compound which yields an isotopically enriched first compound and an isotopically depleted second compound; the removal of a portion of the first compound as product and the removal of a portion of the second compound as spent material; the conversion of the remainder of the first compound to the second compound for reflux at the product end of the chemical exchange reaction region; the conversion of the remainder of the second compound to the first compound for reflux at the spent material end of the chemical exchange region; and the cycling of the additional chemicals produced by one conversion reaction to the other conversion reaction, for consumption therein. One of the conversion reactions is an oxidation reaction, and the energy that it yields is used to drive the other conversion reaction, a reduction. The reduction reaction is carried out in a solid polymer electrolyte electrolytic reactor. The overall process is energy efficient and yields no waste by-products. A particular embodiment of the process in the production of nitrogen-15-enriched nitric acid.

  8. Tetratopic phenyl compounds, related metal-organic framework materials and post-assembly elaboration

    DOE Patents [OSTI]

    Farha, Omar K.; Hupp, Joseph T.

    2012-09-11

    Disclosed are tetratopic carboxylic acid phenyl for use in metal-organic framework compounds. These compounds are useful in catalysis, gas storage, sensing, biological imaging, drug delivery and gas adsorption separation.

  9. Tetratopic phenyl compounds, related metal-organic framework materials and post-assembly elaboration

    DOE Patents [OSTI]

    Farha, Omar K; Hupp, Joseph T

    2013-06-25

    Disclosed are tetratopic carboxylic acid phenyl for use in metal-organic framework compounds. These compounds are useful in catalysis, gas storage, sensing, biological imaging, drug delivery and gas adsorption separation.

  10. Study on removal of organic sulfur compound by modified activated carbon

    SciTech Connect (OSTI)

    Fan Huiling; Li Chunhu; Guo Hanxian [Taiyuan Univ. of Technology (China). Research Inst. for Chemical Engineering of Coal

    1997-12-31

    With the price of coal increasing in China, more and more small and medium scale chemical plants are turning to high sulfur coal as the raw material in order to cut cost. However, the major drawback is that the lifetime of the ammonia synthesis catalyst is then reduced greatly because of the high concentration of the sulfur compounds in the synthesis gas, especially organic sulfur, usually CS{sub 2} and COS. The effects of water vapor and experimental temperature on removal of organic sulfur compounds by using a modified activated carbon were studied in this paper. It was found that water vapor had a negative effect on removal of carbon disulfide by activated carbon impregnated with organic amine. The use of activated carbon impregnated with K{sub 2}CO{sub 3} for removal of carbonyl sulfide was also investigated over the temperature range 30--60, the results show a favorable temperature (40) existing for carbonyl sulfide removal. Fixed-bed breakthrough curves for the adsorbent bed were also offered in this paper.

  11. Precipitate hydrolysis process for the removal of organic compounds from nuclear waste slurries

    DOE Patents [OSTI]

    Doherty, Joseph P. (Elkton, MD); Marek, James C. (Augusta, GA)

    1989-01-01

    A process for removing organic compounds from a nuclear waste slurry comprising reacting a mixture of radioactive waste precipitate slurry and an acid in the presence of a catalytically effective amount of a copper (II) catalyst whereby the organic compounds in the precipitate slurry are hydrolyzed to form volatile organic compounds which are separated from the reacting mixture. The resulting waste slurry, containing less than 10 percent of the orginal organic compounds, is subsequently blended with high level radioactive sludge and transferred to a virtrification facility for processing into borosilicate glass for long-term storage.

  12. Precipitate hydrolysis process for the removal of organic compounds from nuclear waste slurries

    DOE Patents [OSTI]

    Doherty, J.P.; Marek, J.C.

    1987-02-25

    A process for removing organic compounds from a nuclear waste slurry comprising reacting a mixture of radioactive waste precipitate slurry and an acid in the presence of a catalytically effective amount of a copper(II) catalyst whereby the organic compounds in the precipitate slurry are hydrolyzed to form volatile organic compounds which are separated from the reacting mixture. The resulting waste slurry, containing less than 10 percent of the original organic compounds, is subsequently blended with high level radioactive sludge land transferred to a vitrification facility for processing into borosilicate glass for long-term storage. 2 figs., 3 tabs.

  13. Cyanobacterium sp. host cell and vector for production of chemical compounds in cyanobacterial cultures

    DOE Patents [OSTI]

    Piven, Irina; Friedrich, Alexandra; Duhring, Ulf; Uliczka, Frank; Baier, Kerstin; Inaba, Masami; Shi, Tuo; Wang, Kui; Enke, Heike; Kramer, Dan

    2014-09-30

    A cyanobacterial host cell, Cyanobacterium sp., that harbors at least one recombinant gene for the production of a chemical compounds is provided, as well as vectors derived from an endogenous plasmid isolated from the cell.

  14. A Topological Approach to Chemical Organizations

    E-Print Network [OSTI]

    Stadler, Peter F.

    The Santa Fe Institute, 1399 Hyde Park Rd., Santa Fe NM 87501 Abstract Large chemical reaction networks. This abstract representation in turn suggest to explore the chemical meaning of well-established topological.g. in the Chemical Abstract Machine [7]. A wide variety of different computa- tional paradigms has been used

  15. Advanced heat pump for the recovery of volatile organic compounds

    SciTech Connect (OSTI)

    Not Available

    1992-03-01

    Emissions of Volatile Organic Compounds (VOC) from stationary industrial and commercial sources represent a substantial portion of the total US VOC emissions. The Toxic-Release Inventory'' of The US Environmental Protection Agency estimates this to be at about 3 billion pounds per year (1987 estimates). The majority of these VOC emissions are from coating processes, cleaning processes, polymer production, fuel production and distribution, foam blowing,refrigerant production, and wood products production. The US Department of Energy's (DOE) interest in the recovery of VOC stems from the energy embodied in the recovered solvents and the energy required to dispose of them in an environmentally acceptable manner. This Phase I report documents 3M's work in close working relationship with its subcontractor Nuclear Consulting Services (Nucon) for the preliminary conceptual design of an advanced Brayton cycle heat pump for the recovery of VOC. Nucon designed Brayton cycle heat pump for the recovery of methyl ethyl ketone and toluene from coating operations at 3M Weatherford, OK, was used as a base line for the work under cooperative agreement between 3M and ODE. See appendix A and reference (4) by Kovach of Nucon. This cooperative agreement report evaluates and compares an advanced Brayton cycle heat pump for solvent recovery with other competing technologies for solvent recovery and reuse. This advanced Brayton cycle heat pump is simple (very few components), highly reliable (off the shelf components), energy efficient and economically priced.

  16. Organization-Oriented Chemical Programming Peter Dittrich and Naoki Matsumaru

    E-Print Network [OSTI]

    Dittrich, Peter

    dittrich/naoki@minet.uni-jena.de Abstract Chemical information processing posseses a variety of valuable of the chemical species present) and abstracts from quantita- tive change (i.e., a change in concentrationOrganization-Oriented Chemical Programming Peter Dittrich and Naoki Matsumaru Friedrich Schiller

  17. Reasoning and Representation: the Sketching of Organic Chemical Reaction Mechanisms

    E-Print Network [OSTI]

    Marchese, Francis

    Reasoning and Representation: the Sketching of Organic Chemical Reaction Mechanisms Position paper of sketching chemical reaction mechanisms in order to reason-out the structural transformations that convert. The general chemical reaction patterns of oxidation-reduction, functional group transfer, hydrolysis

  18. Volatile organic compound emissions from Larrea tridentata (creosotebush)

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    of these and other compounds, branch enclosure air was also analyzed for VOCs using thermal desorption gas chromatography-proton transfer reaction-mass spectrometry (GC-PTR-MS) in the field and thermal desorption gas, Oracle, AZ 85623, USA. [2] University of Arizona, Departments of Chemistry & Biochemistry and Soil, Water

  19. Airborne flux measurements of methane and volatile organic compounds over the Haynesville and Marcellus shale gas production regions

    E-Print Network [OSTI]

    2015-01-01

    natural gas extraction can lead to signi?cant emissions of methane (CH 4 ), volatile organic compounds (VOCs), and nitrogen

  20. Electrospun Polyurethane Fibers for Absorption of Volatile Organic Compounds from Air

    E-Print Network [OSTI]

    Scholten, Elke

    Electrospun polyurethane fibers for removal of volatile organic compounds (VOC) from air with rapid VOC absorption and desorption have been developed. Polyurethanes based on 4,4-methylenebis(phenylisocyanate) (MDI) and ...

  1. Weathered Diesel oil as a sorptive phase for hydrophobic organic compounds in aquifer materials 

    E-Print Network [OSTI]

    Hudson, Rondall James

    1994-01-01

    The sorptive properties of weathered diesel oil were investigated by conducting miscible displacement experiments with three hydrophobic organic compounds (HOCs), acenapthene, fluorene, and dibenzothiophene, as tracers in columns containing aquifer...

  2. Measurements of Volatile Organic Compounds Using Proton Transfer Reaction - Mass Spectrometry during the MILAGRO 2006 Campaign

    E-Print Network [OSTI]

    Fortner, E. C.

    Volatile organic compounds (VOCs) were measured by proton transfer reaction – mass spectrometry (PTR-MS) on a rooftop in the urban mixed residential and industrial area North Northeast of downtown Mexico City as part of ...

  3. Analysis of C1, C2, and C10 through C33 particle-phase and semi-volatile organic compound emissions from heavy-duty diesel engines

    E-Print Network [OSTI]

    Wu, Mingshen

    from heavy-duty diesel engines Z. Gerald Liu a,*, Devin R. Berg a , Victoria N. Vasys a , Melissa E 18 November 2009 Keywords: Organic compound emissions Particulate matter emissions Heavy-duty diesel engines Aftertreatment technology Diesel particulate filter Chemical speciation a b s t r a c t To meet

  4. Acyclic Subgraph based Descriptor Spaces for Chemical Compound Retrieval and Classification

    E-Print Network [OSTI]

    Minnesota, University of

    Acyclic Subgraph based Descriptor Spaces for Chemical Compound Retrieval and Classification Nikil Wale and George Karypis Department of Computer Science/Digital Technology Center , University of the new descriptors in the context of SVM-based classification and ranked-retrieval on 28 classification

  5. Mobilization and Transport of Organic Compounds from Reservoir Rock and Caprock in Geological Carbon Sequestration Sites

    SciTech Connect (OSTI)

    Zhong, Lirong; Cantrell, Kirk J.; Mitroshkov, Alexandre V.; Shewell, Jesse L.

    2014-05-06

    Supercritical CO2 (scCO2) is an excellent solvent for organic compounds, including benzene, toluene, ethyl-benzene, and xylene (BTEX), phenols, and polycyclic aromatic hydrocarbons (PAHs). Monitoring results from geological carbon sequestration (GCS) field tests has shown that organic compounds are mobilized following CO2 injection. Such results have raised concerns regarding the potential for groundwater contamination by toxic organic compounds mobilized during GCS. Knowledge of the mobilization mechanism of organic compounds and their transport and fate in the subsurface is essential for assessing risks associated with GCS. Extraction tests using scCO2 and methylene chloride (CH2Cl2) were conducted to study the mobilization of volatile organic compounds (VOCs, including BTEX), the PAH naphthalene, and n-alkanes (n-C20 – n-C30) by scCO2 from representative reservoir rock and caprock obtained from depleted oil reservoirs and coal from an enhanced coal-bed methane recovery site. More VOCs and naphthalene were extractable by scCO2 compared to the CH2Cl2 extractions, while scCO2 extractable alkane concentrations were much lower than concentrations extractable by CH2Cl2. In addition, dry scCO2 was found to extract more VOCs than water saturated scCO2, but water saturated scCO2 mobilized more naphthalene than dry scCO2. In sand column experiments, moisture content was found to have an important influence on the transport of the organic compounds. In dry sand columns the majority of the compounds were retained in the column except benzene and toluene. In wet sand columns the mobility of the BTEX was much higher than that of naphthalene. Based upon results determined for the reservoir rock, caprock, and coal samples studied here, the risk to aquifers from contamination by organic compounds appears to be relatively low; however, further work is necessary to fully evaluate risks from depleted oil reservoirs.

  6. Organic solid state switches incorporating porphyrin compounds and method for producing organic solid state optical switches

    DOE Patents [OSTI]

    Wasielewski, M.R.; Gaines, G.L.; Niemczyk, M.P.; Johnson, D.G.; Gosztola, D.J.; O`Neil, M.P.

    1996-07-23

    A light-intensity dependent molecular switch comprised of a compound which shuttles an electron or a plurality of electrons from a plurality of electron donors to an electron acceptor upon being stimulated with light of predetermined wavelengths, said donors selected from porphyrins and other compounds, and a method for making said compound are disclosed. 4 figs.

  7. Organic solid state switches incorporating porphyrin compounds and method for producing organic solid state optical switches

    DOE Patents [OSTI]

    Wasielewski, Michael R. (Naperville, IL); Gaines, George L. (River Forest, IL); Niemczyk, Mark P. (Wheaton, IL); Johnson, Douglas G. (Grayslake, IL); Gosztola, David J. (Bolingbrook, IL); O'Neil, Michael P. (San Leandro, CA)

    1996-01-01

    A light-intensity dependent molecular switch comprised of a compound which shuttles an electron or a plurality of electrons from a plurality of electron donors to an electron acceptor upon being stimulated with light of predetermined wavelengths, said donors selected from porphyrins and other compounds, and a method for making said compound.

  8. APPLICATION OF STIR BAR SORPTIVE EXTRACTION TO ANALYSIS OF VOLATILE AND SEMIVOLATILE ORGANIC CHEMICALS OF POTENTIAL CONCERN IN SOLIDS AND AQUEOUS SAMPLES FROM THE HANFORD SITE

    SciTech Connect (OSTI)

    FRYE JM; KUNKEL JM

    2009-03-05

    Stir bar sorptive extraction was applied to aqueous and solid samples for the extraction and analysis of organic compounds from the Hanford chemicals of potential concern list, as identified in the vapor data quality objectives. The 222-S Laboratory analyzed these compounds from vapor samples on thermal desorption tubes as part of the Hanford Site industrial hygiene vapor sampling effort.

  9. Energy Efficient Removal of Volatile Organic Compounds (VOCs) and Organic Hazardous Air Pollutants (o-HAPs) from Industrial Waste Streams by Direct Electron Oxidation

    SciTech Connect (OSTI)

    Testoni, A. L.

    2011-10-19

    This research program investigated and quantified the capability of direct electron beam destruction of volatile organic compounds and organic hazardous air pollutants in model industrial waste streams and calculated the energy savings that would be realized by the widespread adoption of the technology over traditional pollution control methods. Specifically, this research determined the quantity of electron beam dose required to remove 19 of the most important non-halogenated air pollutants from waste streams and constructed a technical and economic model for the implementation of the technology in key industries including petroleum refining, organic & solvent chemical production, food & beverage production, and forest & paper products manufacturing. Energy savings of 75 - 90% and green house gas reductions of 66 - 95% were calculated for the target market segments.

  10. Composites for removing metals and volatile organic compounds and method thereof

    SciTech Connect (OSTI)

    Coronado, Paul R. (Livermore, CA); Coleman, Sabre J. (Oakland, CA); Reynolds, John G. (San Ramon, CA)

    2006-12-12

    Functionalized hydrophobic aerogel/solid support structure composites have been developed to remove metals and organic compounds from aqueous and vapor media. The targeted metals and organics are removed by passing the aqueous or vapor phase through the composite which can be in molded, granular, or powder form. The composites adsorb the metals and the organics leaving a purified aqueous or vapor stream. The species-specific adsorption occurs through specific functionalization of the aerogels tailored towards specific metals and/or organics. After adsorption, the composites can be disposed of or the targeted metals and/or organics can be reclaimed or removed and the composites recycled.

  11. Environmental Aspects of Two Volatile Organic Compound Groundwater Treatment Designs at the Rocky Flats Site - 13135

    SciTech Connect (OSTI)

    Michalski, Casey C.; DiSalvo, Rick; Boylan, John

    2013-07-01

    DOE's Rocky Flats Site in Colorado is a former nuclear weapons production facility that began operations in the early 1950's. Because of releases of hazardous substances to the environment, the federally owned property and adjacent offsite areas were placed on the CERCLA National Priorities List in 1989. The final remedy was selected in 2006. Engineered components of the remedy include four groundwater treatment systems that were installed before closure as CERCLA-accelerated actions. Two of the systems, the Mound Site Plume Treatment System and the East Trenches Plume Treatment System, remove low levels of volatile organic compounds using zero-valent iron media, thereby reducing the loading of volatile organic compounds in surface water resulting from the groundwater pathway. However, the zero-valent iron treatment does not reliably reduce all volatile organic compounds to consistently meet water quality goals. While adding additional zero-valent iron media capacity could improve volatile organic compound removal capability, installation of a solar powered air-stripper has proven an effective treatment optimization in further reducing volatile organic compound concentrations. A comparison of the air stripper to the alternative of adding additional zero-valent iron capacity to improve Mound Site Plume Treatment System and East Trenches Plume Treatment System treatment based on several key sustainable remediation aspects indicates the air stripper is also more 'environmentally friendly'. These key aspects include air pollutant emissions, water quality, waste management, transportation, and costs. (authors)

  12. Identifying Sources of Volatile Organic Compounds and Aldehydes in a High Performance Building

    SciTech Connect (OSTI)

    Ortiz, Anna C.; Russell, Marion; Lee, Wen-Yee; Apte, Michael; Maddalena, Randy

    2010-09-20

    The developers of the Paharpur Business Center (PBC) and Software Technology Incubator Park in New Delhi, India offer an environmentally sustainable building with a strong emphasis on energy conservation, waste minimization and superior indoor air quality (IAQ). To achieve the IAQ goal, the building utilizes a series of air cleaning technologies for treating the air entering the building. These technologies include an initial water wash followed by ultraviolet light treatment and biolfiltration using a greenhouse located on the roof and numerous plants distributed throughout the building. Even with the extensive treatment of makeup air and room air in the PBC, a recent study found that the concentrations of common volatile organic compounds and aldehydes appear to rise incrementally as the air passes through the building from the supply to the exhaust. This finding highlights the need to consider the minimization of chemical sources in buildings in combination with the use of advanced air cleaning technologies when seeking to achieve superior IAQ. The goal of this project was to identify potential source materials for indoor chemicals in the PBC. Samples of building materials, including wood paneling (polished and unpolished), drywall, and plastic from a hydroponic drum that was part of the air cleaning system, were collected from the building for testing. All materials were collected from the PBC building and shipped to the Lawrence Berkeley National Laboratory (LBNL) for testing. The materials were pre-conditioned for two different time periods before measuring material and chemical specific emission factors for a range of VOCs and Aldehydes. Of the six materials tested, we found that the highest emitter of formaldehyde was new plywood paneling. Although polish and paint contribute to some VOC emissions, the main influence of the polish was in altering the capacity of the surface to accumulate formaldehyde. Neither the new nor aged polish contributed significantly to formaldehyde emissions. The VOC emission stream (excluding formaldehyde) was composed of up to 18 different chemicals and the total VOC emissions ranged in magnitude from 7 mu g/m2/h (old wood with old polish) to>500 mu g/m2/h (painted drywall). The formaldehyde emissions from drywall and old wood with either new or old polish were ~;;15 mu g/m2/h while the new wood material emitted>100 mu g/m2/h. However, when the projected surface area of each material in the building was considered, the new wood, old wood and painted drywall material all contributed substantially to the indoor formaldehyde loading while the coatings contributed primarily to the VOCs.

  13. Hybrid membranes and their use in volatile organic compound/air separations 

    E-Print Network [OSTI]

    Krohn, John Eric

    2001-01-01

    Hybrid organic/inorganic membranes were produced by chemical grafting of octadecyltrichlorosilane onto ?-alumina membranes. Separation factors are presented showing strong evidence of capillary condensation in ungrafted membranes. The grafted...

  14. Solvent Extraction of Chemical Attribution Signature Compounds from Painted Wall Board: Final Report

    SciTech Connect (OSTI)

    Wahl, Jon H.; Colburn, Heather A.

    2009-10-29

    This report summarizes work that developed a robust solvent extraction procedure for recovery of chemical attribution signature (CAS) compound dimethyl methyl phosphonate (DMMP) (as well as diethyl methyl phosphonate (DEMP), diethyl methyl phosphonothioate (DEMPT), and diisopropyl methyl phosphonate (DIMP)) from painted wall board (PWB), which was selected previously as the exposed media by the chemical attribution scientific working group (CASWG). An accelerated solvent extraction approach was examined to determine the most effective method of extraction from PWB. Three different solvent systems were examined, which varied in solvent strength and polarity (i.e., 1:1 dichloromethane : acetone,100% methanol, and 1% isopropanol in pentane) with a 1:1 methylene chloride : acetone mixture having the most robust and consistent extraction for four original target organophosphorus compounds. The optimum extraction solvent was determined based on the extraction efficiency of the target analytes from spiked painted wallboard as determined by gas chromatography x gas chromatography mass spectrometry (GCxGC-MS) analysis of the extract. An average extraction efficiency of approximately 60% was obtained for these four compounds. The extraction approach was further demonstrated by extracting and detecting the chemical impurities present in neat DMMP that was vapor-deposited onto painted wallboard tickets.

  15. Thermal engine driven heat pump for recovery of volatile organic compounds

    DOE Patents [OSTI]

    Drake, Richard L. (Schenectady, NY)

    1991-01-01

    The present invention relates to a method and apparatus for separating volatile organic compounds from a stream of process gas. An internal combustion engine drives a plurality of refrigeration systems, an electrical generator and an air compressor. The exhaust of the internal combustion engine drives an inert gas subsystem and a heater for the gas. A water jacket captures waste heat from the internal combustion engine and drives a second heater for the gas and possibly an additional refrigeration system for the supply of chilled water. The refrigeration systems mechanically driven by the internal combustion engine effect the precipitation of volatile organic compounds from the stream of gas.

  16. Mass transfer of volatile organic compounds from drinking water to indoor air: The role of residential dishwashers

    SciTech Connect (OSTI)

    Howard-Reed, C.; Corsi, R.L.; Moya, J.

    1999-07-01

    Contaminated tap water may be a source of volatile organic compounds (VOCs) in residential indoor air. To better understand the extent and impact of chemical emissions from this source, a two-phase mass balance model was developed based on mass transfer kinetics between each phase. Twenty-nine experiments were completed using a residential dishwasher to determine model parameters. During each experiment, inflow water was spiked with a cocktail of chemical tracers with a wide range of physicochemical properties. In each case, the effects of water temperature, detergent, and dish-loading pattern on chemical stripping efficiencies and mass transfer coefficients were determined. Dishwasher headspace ventilation rates were also measured using an isobutylene tracer gas. Chemical stripping efficiencies for a single cycle ranged from 18% to 55% for acetone, from 96% to 98% for toluene, and from 97% to 98% for ethylbenzene and were consistently 100% for cyclohexane. Experimental results indicate that dishwashers have a relatively low but continuous ventilation rate that results in significant chemical storage within the headspace of the dishwasher. In conjunction with relatively high mass transfer coefficients, low ventilation rates generally lead to emissions that are limited by equilibrium conditions after approximately 1--2 min of dishwasher operation.

  17. Prediction of cloud condensation nuclei activity for organic compounds using functional group contribution methods

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

    Petters, M. D.; Kreidenweis, S. M.; Ziemann, P. J.

    2015-09-01

    A wealth of recent laboratory and field experiments demonstrate that organic aerosol composition evolves with time in the atmosphere, leading to changes in the influence of the organic fraction to cloud condensation nuclei (CCN) spectra. There is a need for tools that can realistically represent the evolution of CCN activity to better predict indirect effects of organic aerosol on clouds and climate. This work describes a model to predict the CCN activity of organic compounds from functional group composition. The model combines Köhler theory with semi-empirical group contribution methods to estimate molar volumes, activity coefficients and liquid-liquid phase boundaries tomore »predict the effective hygroscopicity parameter, kappa. Model evaluation against a selected database of published laboratory measurements demonstrates that kappa can be predicted within a factor of two. Simulation of homologous series is used to identify the relative effectiveness of different functional groups in increasing the CCN activity of weakly functionalized organic compounds. Hydroxyl, carboxyl, aldehyde, hydroperoxide, carbonyl, and ether moieties promote CCN activity while methylene and nitrate moieties inhibit CCN activity. The model can be incorporated into scale-bridging testbeds such as the Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere to evaluate the evolution of kappa for a complex mix of organic compounds and to develop suitable parameterizations of CCN evolution for larger scale models.« less

  18. Phase partitioning and volatility of secondary organic aerosol components formed from ?-pinene ozonolysis and OH oxidation: the importance of accretion products and other low volatility compounds

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

    Lopez-Hilfiker, F. D.; Mohr, C.; Ehn, M.; Rubach, F.; Kleist, E.; Wildt, J.; Mentel, Th. F.; Carrasquillo, A.; Daumit, K.; Hunter, J.; et al

    2015-02-18

    We measured a large suite of gas and particle phase multi-functional organic compounds with a Filter Inlet for Gases and AEROsols (FIGAERO) coupled to a high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) developed at the University of Washington. The instrument was deployed on environmental simulation chambers to study monoterpene oxidation as a secondary organic aerosol (SOA) source. We focus here on results from experiments utilizing an ionization method most selective towards acids (acetate negative ion proton transfer), but our conclusions are based on more general physical and chemical properties of the SOA. Hundreds of compounds were observed in both gasmore »and particle phases, the latter being detected upon temperature programmed thermal desorption of collected particles. Particulate organic compounds detected by the FIGAERO HR-ToF-CIMS are highly correlated with, and explain at least 25–50% of, the organic aerosol mass measured by an Aerodyne Aerosol Mass Spectrometer (AMS). Reproducible multi-modal structures in the thermograms for individual compounds of a given elemental composition reveal a significant SOA mass contribution from large molecular weight organics and/or oligomers (i.e. multi-phase accretion reaction products). Approximately 50% of the HR-ToF-CIMS particle phase mass is associated with compounds having effective vapor pressures 4 or more orders of magnitude lower than commonly measured monoterpene oxidation products. The relative importance of these accretion-type and other extremely low volatility products appears to vary with photochemical conditions. We present a desorption temperature based framework for apportionment of thermogram signals into volatility bins. The volatility-based apportionment greatly improves agreement between measured and modeled gas–particle partitioning for select major and minor components of the SOA, consistent with thermal decomposition during desorption causing the conversion of lower volatility components into the detected higher volatility compounds.« less

  19. Phase partitioning and volatility of secondary organic aerosol components formed from ?-pinene ozonolysis and OH oxidation: the importance of accretion products and other low volatility compounds

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

    Lopez-Hilfiker, F. D.; Mohr, C.; Ehn, M.; Rubach, F.; Kleist, E.; Wildt, J.; Mentel, Th. F.; Carrasquillo, A. J.; Daumit, K. E.; Hunter, J. F.; et al

    2015-07-16

    We measured a large suite of gas- and particle-phase multi-functional organic compounds with a Filter Inlet for Gases and AEROsols (FIGAERO) coupled to a high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) developed at the University of Washington. The instrument was deployed on environmental simulation chambers to study monoterpene oxidation as a secondary organic aerosol (SOA) source. We focus here on results from experiments utilizing an ionization method most selective towards acids (acetate negative ion proton transfer), but our conclusions are based on more general physical and chemical properties of the SOA. Hundreds of compounds were observed in both gas andmore »particle phases, the latter being detected by temperature-programmed thermal desorption of collected particles. Particulate organic compounds detected by the FIGAERO–HR-ToF-CIMS are highly correlated with, and explain at least 25–50 % of, the organic aerosol mass measured by an Aerodyne aerosol mass spectrometer (AMS). Reproducible multi-modal structures in the thermograms for individual compounds of a given elemental composition reveal a significant SOA mass contribution from high molecular weight organics and/or oligomers (i.e., multi-phase accretion reaction products). Approximately 50 % of the HR-ToF-CIMS particle-phase mass is associated with compounds having effective vapor pressures 4 or more orders of magnitude lower than commonly measured monoterpene oxidation products. The relative importance of these accretion-type and other extremely low volatility products appears to vary with photochemical conditions. We present a desorption-temperature-based framework for apportionment of thermogram signals into volatility bins. The volatility-based apportionment greatly improves agreement between measured and modeled gas-particle partitioning for select major and minor components of the SOA, consistent with thermal decomposition during desorption causing the conversion of lower volatility components into the detected higher volatility compounds.« less

  20. Apparatus for sensing volatile organic chemicals in fluids

    DOE Patents [OSTI]

    Hughes, Robert C.; Manginell, Ronald P.; Jenkins, Mark W.; Kottenstette, Richard; Patel, Sanjay V.

    2005-06-07

    A chemical-sensing apparatus is formed from the combination of a chemical preconcentrator which sorbs and concentrates particular volatile organic chemicals (VOCs) and one or more chemiresistors that sense the VOCs after the preconcentrator has been triggered to release them in concentrated form. Use of the preconcentrator and chemiresistor(s) in combination allows the VOCs to be detected at lower concentration than would be possible using the chemiresistor(s) alone and further allows measurements to be made in a variety of fluids, including liquids (e.g. groundwater). Additionally, the apparatus provides a new mode of operation for sensing VOCs based on the measurement of decay time constants, and a method for background correction to improve measurement precision.

  1. QUANTIFYING NON-POINT SOURCES OF VOLATILE ORGANIC COMPOUNDS IN STORMWATER FROM A PARKING LOT

    E-Print Network [OSTI]

    1 QUANTIFYING NON-POINT SOURCES OF VOLATILE ORGANIC COMPOUNDS IN STORMWATER FROM A PARKING LOT (VOCs) in stormwater from an asphalt parking lot without obvious point sources (e.g. gasoline stations). The parking lot surface and atmosphere are important non-point sources of VOCs, with each being important

  2. Field Test to Demonstrate Real-Time In-Situ Detection of Volatile Organic Compounds

    E-Print Network [OSTI]

    Ho, Cliff

    1 Field Test to Demonstrate Real-Time In-Situ Detection of Volatile Organic Compounds Hazmat Spill Center, Nevada Test Site September 19-25, 2001 Clifford K. Ho Sandia National Laboratories Albuquerque-filled 55- gallon drum at the Hazmat Spill Center at the Nevada Test Site. Background and Objectives Tens

  3. ARTIFACT FORMATION IN HIGH VOLUME SAMPLING OF VOC's AND SOLID ORGANIC COMPOUNDS.

    E-Print Network [OSTI]

    Boyer, Edmond

    when sampling polluted air. Purified air containing 180 ppbv ozone seems to destroy PAH according Atmospheriques, Boite 7059, UNIVERSITE PARIS 7, 2, place Jussieu, 75251 PARIS Cedex 05 ABSTRACT Pollutants from well äs solid (SOC's) organic compounds. High volume samplers are commonly used m air quality

  4. SPECTROSCOPIC METHODS FOR ANALYZING ORGANIC COMPOUNDS IN FLUID INCLUSIONS DURING PLANETARY EXPLORATION. A. Mazzini 1

    E-Print Network [OSTI]

    Mazzini, Adriano

    to support of life, and could even contain direct biomolecular signatures of life. Accessing the fluid which provide data on organic compounds in fluid inclusions. The techniques used are Ra- man entrapped in chemosynthetic carbonate at a modern cold seep site. Cold seeps have been identified as targets

  5. How Soil Organic Matter Composition Controls Hexachlorobenzene-Soil-Interactions: Adsorption Isotherms and Quantum Chemical Modelling

    E-Print Network [OSTI]

    Ahmed, Ashour; Kühn, Oliver

    2013-01-01

    Hazardous persistent organic pollutants (POPs) interact in soil with the soil organic matter (SOM) but this interaction is insufficiently understood at the molecular level. We investigated the adsorption of hexachlorobenzene (HCB) on soil samples with systematically modified SOM. These samples included the original soil, the soil modified by adding a hot water extract (HWE) fraction (soil+3 HWE and soil+6 HWE), and the pyrolyzed soil. The SOM contents increased in the order pyrolyzed soil soil soil+3 HWE soil+6 HWE. For the latter three samples this order was also valid for the HCB adsorption. The pyrolyzed soil adsorbed more HCB than the other samples at low initial concentrations, but at higher concentrations the HCB adsorption became weaker than in the samples with HWE addition. This adsorption behaviour combined with the differences in the chemical composition between the soil samples suggested that alkylated aromatic, phenol, and lignin monomer compounds contributed most to the HC...

  6. Harnessing Chemical Raman Enhancement for Understanding Organic Adsorbate Binding on Metal Surfaces

    E-Print Network [OSTI]

    Zayak, Alexey

    2014-01-01

    P. J. ; Neaton, J. B. Chemical Raman Enhancement of OrganicJ. ; Zhao, K. ; Zhang, Z. Chemical contribution to Surface-the Molecule-Surface chemical coupling in SERS. J. Am. Chem.

  7. Process for the solvent extraction for the radiolysis and dehalogenation of halogenated organic compounds in soils, sludges, sediments and slurries

    DOE Patents [OSTI]

    Golden, Jeffry

    2007-02-13

    A process of extracting halogenated organic compounds, and particularly PCBs, from soil, sediment, slurry, sludge and dehalogenating the compounds contacts a contaminated soil sample with an extraction medium of a mixture of an alkane and a water miscible alcohol. The organic compounds dissolve in the extraction medium which is separated from the soil by passing water upwardly through the soil. The extraction medium floats to the surface of the water and is separated. Thereafter, the extraction medium containing the halogenated organic contaminants is subjected to ionizing radiation to radiolytically dehalogenate the compounds.

  8. Process for the solvent extraction for the radiolysis and dehalogenation of halogenated organic compounds in soils, sludges, sediments and slurries

    DOE Patents [OSTI]

    Mincher, Bruce J. (3705 Creekside Dr., Idaho Falls, ID 83404); Curry, Randy Dale (1104 Merrill Ct., Columbia, MO 65203); Clevenger, Thomas E. (2512 Bluff Blvd., Columbia, MO 65201); Golden, Jeffry (12612 Cedarbrook La., Laurel, MD 20708)

    2000-01-01

    A process of extracting halogenated organic compounds, and particularly PCBs, from soil, sediment, slurry, sludge and dehalogenating the compounds contacting a contaminated soil sample with an extraction medium of a mixture of an alkane and a water miscible alcohol. The organic compounds dissolve in the extraction medium which is separated from the soil by passing water upwardly through the soil. The extraction medium floats to the surface of the water and is separated. Thereafter, the extraction medium containing the halogenated organic contaminants is subjected to ionizing radiation to radiolytically dehalogenate the compounds.

  9. Process for the solvent extraction for the radiolysis and dehalogenation of halogenated organic compounds in soils, sludges, sediments and slurries

    DOE Patents [OSTI]

    Mincher, Bruce J.; Curry, Randy Dale; Clevenger, Thomas E.; Golden, Jeffry

    2003-05-27

    A process of extracting halogenated organic compounds, and particularly PCBs, from soil, sediment, slurry, sludge and dehalogenating the compounds contacts a contaminated soil sample with an extraction medium of a mixture of an alkane and a water miscible alcohol. The organic compounds dissolve in the extraction medium which is separated from the soil by passing water upwardly through the soil. The extraction medium floats to the surface of the water and is separated. Thereafter, the extraction medium containing the halogenated organic contaminants is subjected to ionizing radiation to radiolytically dehalogenate the compounds.

  10. Space-based formaldehyde measurements as constraints on volatile organic compound emissions in east and south Asia and implications

    E-Print Network [OSTI]

    Palmer, Paul

    Space-based formaldehyde measurements as constraints on volatile organic compound emissions in east a continuous 6-year record (1996­2001) of GOME satellite measurements of formaldehyde (HCHO) columns over east (2007), Space-based formaldehyde measurements as constraints on volatile organic compound emissions

  11. Chlorinated organic compounds evolved during the combustion of blends of refuse-derived fuels and coals

    SciTech Connect (OSTI)

    Xiaodong Yang; Napier, J.; Sisk, B.; Wei-Ping Pan; Riley, J.T.; Lloyd, W.G.

    1996-12-31

    The objective of this study was to examine the possible formation of chlorinated organic compounds during the combustion of blends of refuse derived fuels (RDF) and coal under conditions similar to those of an atmospheric fluidized bed combustion (AFBC) system. A series of experiments were conducted using a TGA interfaced to FTIR and MS systems. Additional experiments using a tube furnace preheated to AFBC operating temperatures were also conducted. The combustion products were cryogenically trapped and analyzed with a GUMS system. The chlorination of phenols and the condensation reactions of chlorophenols were investigated in this study. A possible mechanism for the formation of chlorinated organic; compounds such as dibenzodioxins and dibenzofurans, by chlorination and condensation reactions involving phenols, was proposed.

  12. Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications

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

    Canagaratna, M. R.; Jimenez, J. L.; Kroll, J. H.; Chen, Q.; Kessler, S. H.; Massoli, P.; Hildebrandt Ruiz, L.; Fortner, E.; Williams, L. R.; Wilson, K. R.; et al

    2015-01-12

    Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), and organic mass-to-organic carbon (OM : OC) ratios, and of carbon oxidation state (OS C) for a vastly expanded laboratory data set of multifunctional oxidized OA standards. For the expanded standard data set, the method introduced by Aiken et al. (2008), which uses experimentally measured ionmore »intensities at all ions to determine elemental ratios (referred to here as "Aiken-Explicit"), reproduces known O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12%, respectively. The more commonly used method, which uses empirically estimated H2O+ and CO+ ion intensities to avoid gas phase air interferences at these ions (referred to here as "Aiken-Ambient"), reproduces O : C and H : C of multifunctional oxidized species within 28 and 14% of known values. The values from the latter method are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H2O+, CO+, and CO2+ fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO+ and especially H2O+ produced from many oxidized species. Combined AMS–vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method uses specific ion fragments as markers to correct for molecular functionality-dependent systematic biases and reproduces known O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C (H : C) values is smaller for theoretical standard mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OS C values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OS C units). This indicates that OS C is a more robust metric of oxidation than O : C, likely since OS C is not affected by hydration or dehydration, either in the atmosphere or during analysis.« less

  13. Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications

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

    Canagaratna, M. R.; Jimenez, J. L.; Kroll, J. H.; Chen, Q.; Kessler, S. H.; Massoli, P.; Hildebrandt Ruiz, L.; Fortner, E.; Williams, L. R.; Wilson, K. R.; et al

    2014-07-31

    Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), organic mass-to-organic carbon (OM : OC), and carbon oxidation state (OSC) for a vastly expanded laboratory dataset of multifunctional oxidized OA standards. For the expanded standard dataset, the "Aiken-Explicit" method (Aiken et al., 2008), which uses experimentally measured ion intensities at all ions to determine elementalmore »ratios, reproduces known molecular O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12% respectively. The more commonly used "Aiken-Ambient" method, which uses empirically estimated H2O+ and CO+ ion intensities to avoid gas phase air interferences at these ions, reproduces O : C and H : C of multifunctional oxidized species within 28% and 14% of known values. These values are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H2O+, CO+, and CO2+ fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO+ and H2O+ produced from many oxidized species. Combined AMS-vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method reduces the systematic biases and reproduces O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C and H : C values is smaller (12% and 4% respectively) for synthetic mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OSC values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OSC units). This indicates that OSC is a more robust metric of oxidation than O : C, likely since OSC is not affected by hydration or dehydration, either in the atmosphere or during analysis.« less

  14. Elemental ratio measurements of organic compounds using aerosol mass spectrometry: Characterization, improved calibration, and implications

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

    Canagaratna, M. R.; Jimenez, J. L.; Kroll, J. H.; Chen, Q.; Kessler, S. H.; Massoli, P.; Ruiz, L. Hildebrandt; Fortner, E.; Williams, L. R.; Wilson, K. R.; et al

    2015-01-12

    Elemental compositions of organic aerosol (OA) particles provide useful constraints on OA sources, chemical evolution, and effects. The Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) is widely used to measure OA elemental composition. This study evaluates AMS measurements of atomic oxygen-to-carbon (O : C), hydrogen-to-carbon (H : C), and organic mass-to-organic carbon (OM : OC) ratios, and of carbon oxidation state (OS C) for a vastly expanded laboratory data set of multifunctional oxidized OA standards. For the expanded standard data set, the method introduced by Aiken et al. (2008), which uses experimentally measured ionmore »intensities at all ions to determine elemental ratios (referred to here as "Aiken-Explicit"), reproduces known O : C and H : C ratio values within 20% (average absolute value of relative errors) and 12%, respectively. The more commonly used method, which uses empirically estimated H2O+ and CO+ ion intensities to avoid gas phase air interferences at these ions (referred to here as "Aiken-Ambient"), reproduces O : C and H : C of multifunctional oxidized species within 28 and 14% of known values. The values from the latter method are systematically biased low, however, with larger biases observed for alcohols and simple diacids. A detailed examination of the H2O+, CO+, and CO2+ fragments in the high-resolution mass spectra of the standard compounds indicates that the Aiken-Ambient method underestimates the CO+ and especially H2O+ produced from many oxidized species. Combined AMS–vacuum ultraviolet (VUV) ionization measurements indicate that these ions are produced by dehydration and decarboxylation on the AMS vaporizer (usually operated at 600 °C). Thermal decomposition is observed to be efficient at vaporizer temperatures down to 200 °C. These results are used together to develop an "Improved-Ambient" elemental analysis method for AMS spectra measured in air. The Improved-Ambient method uses specific ion fragments as markers to correct for molecular functionality-dependent systematic biases and reproduces known O : C (H : C) ratios of individual oxidized standards within 28% (13%) of the known molecular values. The error in Improved-Ambient O : C (H : C) values is smaller for theoretical standard mixtures of the oxidized organic standards, which are more representative of the complex mix of species present in ambient OA. For ambient OA, the Improved-Ambient method produces O : C (H : C) values that are 27% (11%) larger than previously published Aiken-Ambient values; a corresponding increase of 9% is observed for OM : OC values. These results imply that ambient OA has a higher relative oxygen content than previously estimated. The OS C values calculated for ambient OA by the two methods agree well, however (average relative difference of 0.06 OS C units). This indicates that OS C is a more robust metric of oxidation than O : C, likely since OS C is not affected by hydration or dehydration, either in the atmosphere or during analysis.« less

  15. Sorption of organic carbon compounds to the fine fraction of surface and Subsurface Soils

    SciTech Connect (OSTI)

    Jagadamma, Sindhu [ORNL; Mayes, Melanie [ORNL; Zinn, Yuri [Federal University of Lavras, Brazil; Gisladottir, Gudrun [University of Iceland; Ann, Russell [Iowa State University

    2014-01-01

    Dissolved organic carbon (DOC) transported from the soil surface is stabilized in deeper soil profiles by physicochemical sorption processes. However, it is unclear how different forms of organic carbon (OC) compounds common in soil organic matter interact with soil minerals in the surface (A) and subsurface (B) horizons. We added four compounds (glucose, starch, cinnamic acid and stearic acid) to the silt- and clay-sized fraction (fine fraction) of A and B horizons of eight soils from varying climates (3 temperate, 3 tropical, 1 arctic and 1 sub-arctic). Equilibriumbatch experiments were conducted using 0 to 100 mg C L 1 of 14C-labeled compounds for 8 h. Sorption parameters (maximum sorption capacity, Qmax and binding coefficient, k) calculated by fitting sorption data to the Langmuir equation showed that Qmax of A and B horizons was very similar for all compounds. Both Qmax and k values were related to sorbate properties, with Qmax being lowest for glucose (20 500 mg kg 1), highest for stearic acid (20,000 200,000 mg kg 1), and intermediate for both cinnamic acid (200 4000 mg kg 1) and starch (400 6000 mg kg 1). Simple linear regression analysis revealed that physicochemical properties of the sorbents influenced the Qmax of cinnamic acid and stearic acid, but not glucose and starch. The sorbent properties did not show predictive ability for binding coefficient k. By using the fine fraction as sorbent, we found that the mineral fractions of A horizons are equally reactive as the B horizons irrespective of soil organic carbon content.

  16. Separation of polar compounds using a flexible metal-organic framework

    SciTech Connect (OSTI)

    Motkuri, Radha K.; Thallapally, Praveen K.; Annapureddy, Harsha V.; Dang, Liem X.; Krishna, Rajamani; Nune, Satish K.; Fernandez, Carlos A.; Liu, Jian; McGrail, B. Peter

    2015-01-01

    A flexible metal-organic framework constructed from a flexible linker is shown to possess the capability of separating mixtures of polar compounds by exploiting the differences in the saturation capacities of the constituents. The separation possibilities with the flexible MOF include mixtures of propanol isomers, and various azeotropes. Transient breakthrough simulations show that these sorption-based separations are in favor of the component with higher saturation capacity.

  17. Concentration of light organic compounds from dilute aqueous solutions by adsorption on bound silicalite 

    E-Print Network [OSTI]

    Flores, Kathryn Louise

    1989-01-01

    azeotrope, the solvent can enhance the volatility of either water or ethanol. Gasoline, when used as a solvent in the extractive distillation of azeotropic ethanol, enhances the volatility of water. The water and the lower boiling components... of the gasoline are taken ofF at the top of the column. The ethanol and the remaining components of the gasoline are collected at the bottom. The ethanol and organic compounds are separated from the water in the distillate from the extractive distillation...

  18. Southern California Edison's (SCE) Research Program for Industrial Volatile Organic Compound (VOC) Emissions Control 

    E-Print Network [OSTI]

    Sung, R. D.; Cascone, R.; Reese, J.

    1990-01-01

    EDISON'S (SCE) RESEARCH PROGRAM FOR INDUSTRIAL VOLATILE ORGANIC COMPOUND (VOC) EMISSIONS CONTROL ROGER D. SUNG RON CASCONE JIM REESE Program Manager Senior Consultant Manager Southern California Edison Chem Systems, Inc. Applied Utility Systems... Rosemead, California Tarrytown, New York Santa Ana, California ABSTRACT SCE has developed and implemented a research program for customer retention through VOC emission control. Following characterization of problematic emission sources, SCE has...

  19. Evaluation of control strategies for volatile organic compounds in indoor air (journal article)

    SciTech Connect (OSTI)

    Ramanathan, K.; Debler, V.L.

    1988-01-01

    The paper discusses research which evaluates the application of adsorption techniques to the control of indoor organic vapors. The adsorption on activated carbon of three compounds representing three classes of organic species was studied at 30 C in the concentration range zero to 200 ppb using a microbalance. The three were benzene (aromatic), acetaldehyde (oxygenated aliphatic), and 1,1,1-trichloroethane (halogenated aliphatic). Three sorbents (a wood base carbon, a coal base carbon, and a coconut shell base carbon) were examined. Uptakes for all the compounds on all the carbons were low (on the order of 10 to the minus 7th power gmol/g carbon). Simulation of a packed bed of carbon indicated that carbon adsorption may not be practical for continuous removal, but may be applicable to sudden releases (e.g., spills). Potential alternatives to activated carbon adsorption are discussed. Potentially toxic organic vapors are emitted from a wide variety of building materials, consumer products, and human activities. Control of indoor organic vapors generally involves removing the source and/or increasing the ventilation rate. The ubiquitous nature of sources of organic vapors generally makes source removal impractical. Increased ventilation causes increased energy usage with its resultant economic penalties. Therefore, practical removal methods are needed.

  20. Mechanical-chemical coupling and self-organization in mudstones.

    SciTech Connect (OSTI)

    Heath, Jason E.; Dewers, Thomas A.

    2010-06-01

    Shales and other mudstones are the most abundant rock types in sedimentary basins, yet have received comparatively little attention. Common as hydrocarbon seals, these are increasingly being targeted as unconventional gas reservoirs, caprocks for CO{sub 2} sequestration, and storage repositories for waste. The small pore and grain size, large specific surface areas, and clay mineral structures lend themselves to rapid reaction rates accompanying changes in stress, pressure, temperature and chemical conditions. Under far from equilibrium conditions, mudrocks display a variety of spatio-temporal self-organized phenomena arising from the nonlinear coupling of mechanics with chemistry. Beginning with a detailed examination of nano-scale pore network structures in mudstones, we discuss the dynamics behind such self-organized phenomena as pressure solitons, chemically-induced flow self focusing and permeability transients, localized compaction, time dependent well-bore failure, and oscillatory osmotic fluxes as they occur in clay-bearing sediments. Examples are draw from experiments, numerical simulation, and the field. These phenomena bear on the ability of these rocks to serve as containment barriers.

  1. Formation and aging of secondary organic aerosol from toluene: changes in chemical composition, volatility, and hygroscopicity

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

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

    2015-07-24

    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 secondary organic aerosol (SOA) from the photo-oxidation of toluene and other small aromatic volatile organic compounds (VOCs) in the presence of NOx under different oxidizing conditions. The effects of the oxidizing condition 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 duringmore »photo-oxidation, and the final OA OSc ranged from -0.29 to 0.16 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 a significantly different saturation concentration. There was no clear correlation between hygroscopicity and oxidation state for this relatively hygroscopic SOA.« less

  2. Impacts of simulated herbivory on volatile organic compound emission profiles from coniferous plants

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

    Faiola, C. L.; Jobson, B. T.; VanReken, T. M.

    2015-01-28

    The largest global source of volatile organic compounds (VOCs) in the atmosphere is from biogenic emissions. Plant stressors associated with a changing environment can alter both the quantity and composition of the compounds that are emitted. This study investigated the effects of one global change stressor, increased herbivory, on plant emissions from five different coniferous species: bristlecone pine (Pinus aristata), blue spruce (Picea pungens), western redcedar (Thuja plicata), grand fir (Abies grandis), and Douglas-fir (Pseudotsuga menziesii). Herbivory was simulated in the laboratory via exogenous application of methyl jasmonate (MeJA), a herbivory proxy. Gas-phase species were measured continuously with a gasmore »chromatograph coupled to a mass spectrometer and flame ionization detector (GC–MS–FID). Stress responses varied between the different plant types and even between experiments using the same set of saplings. The compounds most frequently impacted by the stress treatment were alpha-pinene, beta-pinene, 1,8-cineol, beta-myrcene, terpinolene, limonene, and the cymene isomers. Individual compounds within a single experiment often exhibited a different response to the treatment from one another.« less

  3. Organization-Oriented Chemical Programming Naoki Matsumaru,Peter Kreyssig, Peter Dittrich (2011)

    E-Print Network [OSTI]

    Dittrich, Peter

    2011-01-01

    Matsumaru, Peter Kreyssig and Peter Dittrich chemical abstract machine (CHAM) [6]; P-Systems [31] stressing(preprint) Organization-Oriented Chemical Programming Naoki Matsumaru,Peter Kreyssig, Peter. Dittrich, P. Kreyssig. Organization-Oriented Chemical Programming. In: C. Muller- Schloer, H. Schmeck, T

  4. THE VOMERONASAL ORGAN IS REQUIRED FOR THE MALE MOUSE MEDIAL AMYGDALA RESPONSE TO CHEMICAL-COMMUNICATION

    E-Print Network [OSTI]

    Ronquist, Fredrik

    , FL 32306-4295, USA Abstract--Many species use chemical signals to convey in- formation relevantTHE VOMERONASAL ORGAN IS REQUIRED FOR THE MALE MOUSE MEDIAL AMYGDALA RESPONSE TO CHEMICAL chemical signals may be detected by the vomeronasal organ, which sends projections to the accessory

  5. Stress-induced chemical detection using flexible metal-organic frameworks.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Hesketh, Peter J. (Georgia Institute of Technology, Atlanta, GA); Gall, Kenneth A. (Georgia Institute of Technology, Atlanta, GA); Choudhury, A. (Georgia Institute of Technology, Atlanta, GA); Pikarsky, J. (Georgia Institute of Technology, Atlanta, GA); Andruszkiewicz, Leanne (Georgia Institute of Technology, Atlanta, GA); Houk, Ronald J. T.; Talin, Albert Alec (National Institute of Standards & Technology, Gaithersburg, MD)

    2009-09-01

    In this work we demonstrate the concept of stress-induced chemical detection using metal-organic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be efficiently converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N{sub 2} or O{sub 2}. The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO{sub 2}. We also report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes. A force field model is described that successfully predicts changes in MOF properties and the uptake of gases. This model is used to predict adsorption isotherms for a number of representative compounds, including explosives, nerve agents, volatile organic compounds, and polyaromatic hydrocarbons. The results show that, as a result of relatively large heats of adsorption (> 20 kcal mol{sup -1}) in most cases, we expect an onset of adsorption by MOF as low as 10{sup -6} kPa, suggesting the potential to detect compounds such as RDX at levels as low as 10 ppb at atmospheric pressure.

  6. Integrated production of fuel gas and oxygenated organic compounds from synthesis gas

    DOE Patents [OSTI]

    Moore, Robert B. (Allentown, PA); Hegarty, William P. (State College, PA); Studer, David W. (Wescosville, PA); Tirados, Edward J. (Easton, PA)

    1995-01-01

    An oxygenated organic liquid product and a fuel gas are produced from a portion of synthesis gas comprising hydrogen, carbon monoxide, carbon dioxide, and sulfur-containing compounds in a integrated feed treatment and catalytic reaction system. To prevent catalyst poisoning, the sulfur-containing compounds in the reactor feed are absorbed in a liquid comprising the reactor product, and the resulting sulfur-containing liquid is regenerated by stripping with untreated synthesis gas from the reactor. Stripping offgas is combined with the remaining synthesis gas to provide a fuel gas product. A portion of the regenerated liquid is used as makeup to the absorber and the remainder is withdrawn as a liquid product. The method is particularly useful for integration with a combined cycle coal gasification system utilizing a gas turbine for electric power generation.

  7. Airborne and ground based measurements of volatile organic compounds using proton transfer reaction mass spectrometry in Texas and Mexico City 

    E-Print Network [OSTI]

    Fortner, Edward Charles

    2009-05-15

    Measurements of ambient volatile organic compounds (VOCs) by proton transfer reaction mass spectrometry (PTR-MS) are reported from recent airborne and surface based field campaigns. The Southeast Texas Tetroon Study (SETTS) ...

  8. Online measurements of the emissions of intermediate-volatility and semi-volatile organic compounds from aircraft

    E-Print Network [OSTI]

    Herndon, S. C.

    A detailed understanding of the climate and air quality impacts of aviation requires measurements of the emissions of intermediate-volatility and semi-volatile organic compounds (I/SVOCs) from aircraft. Currently both the ...

  9. Thermodynamics and kinetics of hydrophobic organic compound sorption in natural sorbents and quantification of black carbon by electron microscopy

    E-Print Network [OSTI]

    Kuo, Dave Ta Fu, 1978-

    2010-01-01

    The sorption behaviors of hydrophobic organic compounds (HOCs) in sediments were investigated using pyrene. Native pyrene desorbed slowly, taking from weeks to months to equilibrate. The end-point data suggested that, at ...

  10. Quantitative analysis of volatile organic compounds (VOCs) in soil via passive sampling : polyethylene sampler design and optimization

    E-Print Network [OSTI]

    Jensen, David G. (David Gannon)

    2015-01-01

    The potential for the release of volatile organic compounds (VOCs) to our natural environment is pervasive. However, the ability to accurately measure and predict VOC soil vapor concentrations is still limited. A polyethylene ...

  11. Benchtop testing of polyethylene passive sampling towards a quantitative analysis of volatile organic compounds (VOCs) in soil vapours

    E-Print Network [OSTI]

    Soo, Yu Xiang Jaren

    2015-01-01

    The feasibility of polyethylene (PE) as a passive sampler for quantitative analysis of volatile organic compounds (VOCs) was analysed in this work by means of a benchtop testing. A benchtop physical model was setup, which ...

  12. Programming Self-Organizing Systems with the Higher-Order Chemical Language

    E-Print Network [OSTI]

    Fradet, Pascal

    @irisa.fr Received on 17th March 2006 In a chemical language, computation is viewed as abstract mo- lecules reacting in an abstract chemical solution. Data can be seen as molecules and operations as chemical reactions: if someProgramming Self-Organizing Systems with the Higher-Order Chemical Language JEAN-PIERRE BAN ^ATRE1

  13. ALDEHYDE AND OTHER VOLATILE ORGANIC CHEMICAL EMISSIONS IN FOUR FEMA TEMPORARY HOUSING UNITS – FINAL REPORT

    E-Print Network [OSTI]

    Maddalena, Randy L.

    2008-01-01

    of four chemicals (styrene, tetradecane, pentadecane and theTwo of the compounds (styrene and acetaldehyde) had similarToluene Ethylbenzene p-Xylene Styrene Propyl-benzene 1,3,5-

  14. The mobility of water soluble organic compounds in soils from the land application of petroleum waste sludge 

    E-Print Network [OSTI]

    Evans, Gordon Barcus

    1979-01-01

    THE MOBILITY OF WATER SOLUBLE ORGANIC COMPOUNDS IN SOILS FROM THE LAND APPLICATION OF PETROLEUM WASTE SLUDGE A Thesis by GORDON BARCUS EVANS, JR. Submitted to the Graduate College of Texas A&l1 University in partial fulfillment... of the requirement for the degree of MASTER OF SCIENCE December 1979 Major Subject: Soil Science THE MOBILITY OF WATER SOLUBLE ORGANIC COMPOUNDS IN SOILS FROM THE LAND APPLICATION OF PETROLEUM WASTE SLUDGE A Thesis by GORDON BARCUS EVANS, JR. Approved...

  15. Measurement of surface emission flux rates for volatile organic compounds at Technical Area 54

    SciTech Connect (OSTI)

    Trujillo, V.; Morgenstern, M.; Krier, D. [Los Alamos National Lab., NM (United States); Gilkeson, R. [Weirich and Associates, Albuquerque, NM (United States)

    1998-06-01

    The survey described in this report was conducted to estimate the mass of volatile organic compounds venting to the atmosphere from active and inactive waste disposal sites at Technical Area 54. A large number of nonintrusive passive sample collection devices were placed on the ground surface for 72 hours to characterize an area of approximately 150 acres. Results provided an indication of the boundary location of the known volatile organic plume, plume constituents, and isolated high concentration areas. The data from this survey enhanced existing data from a limited number of monitor wells currently used for plume surveillance. Results indicate that the estimated mass emission to the atmosphere is orders of magnitude lower than what is considered a small flux rate at a spill site or a Resource Conservation and Recovery Act landfill and is far below the threshold limit established by the State of New Mexico as an air quality concern.

  16. Volatile organic compounds: Comparison of two sample collection and preservation methods

    SciTech Connect (OSTI)

    Liikala, T.L.; Olsen, K.B.; Teel, S.S.; Lanigan, D.C. [Pacific Northwest National Lab., Richland, WA (United States)] [Pacific Northwest National Lab., Richland, WA (United States)

    1996-12-01

    Two soil sample collection and preservation methods for volatile organic compounds, used during site characterization activities, were evaluated using standard U.S. Environmental Protection Agency analytical methods. A conventional bulk method recommends completely filling a sample container with soil; a less commonly used methanol method recommends placing a soil aliquot into methanol. Analytical results showed large negative biases associated with the bulk samples as compared to the methanol samples for aromatic compounds. Order of magnitude differences in concentrations measured between the methods were observed for benzene and toluene. Lesser differences were noted for xylenes and ethylbenzene. Limited data for chlorinated compounds suggest behavior similar to the aromatic species. A limited spike recovery study was conducted using the methanol method on laboratory and field samples. Samples were analyzed 82 days after spike addition. Poorer spike recoveries were noted from spiked methanol vials transported to the field and used for collection of soil samples. Differences between mean recovery values for the laboratory and field samples appear to be the result of losses during sample collection and transport. Despite the 82-day holding time, spike recoveries were within 70% of initial spike concentrations. These results demonstrate the stability of using methanol as a preservative for soil samples. 17 refs., 6 figs., 3 tabs.

  17. The aging of organic aerosol in the atmosphere : chemical transformations by heterogeneous oxidation

    E-Print Network [OSTI]

    Kessler, Sean Herbert

    2013-01-01

    The immense chemical complexity of atmospheric organic particulate matter ("aerosol") has left the general field of condensed-phase atmospheric organic chemistry relatively under-developed when compared with either gas-phase ...

  18. Analysis of organic compounds in water by direct adsorption and thermal desorption. [Dissertation

    SciTech Connect (OSTI)

    Ryan, J.P. Jr.

    1980-03-01

    An instrument was designed and constructed that makes it possible to thermally desorb organic compounds from wet adsorption traps to a gas chromatograph in an efficient and reproducible manner. Based on this device, a method of analyzing organics in water was developed that is rapid, sensitive, and of broader scope than previously published methods. The system was applied to the analysis of compounds with a wide range of volatilities. Temperature and flow parameters were investigated and specific procedures for quantitation were established. Real samples, including tap water and well water, were also analyzed with this system. Depending on the analysis requirements, the thermal desorption instrument can be used with either packed column or high resolution open-tubular column gas chromatography. The construction plans of normal and high-resolution systems are presented along with chromatograms and data produced by each. Finally, an improved thermal desorption instrument is described. Modifications to the basic system, including splitless injection onto a capillary column, automation, dual cryogenic trapping, reduction of scale, and effluent splitting to dual detection are discussed at length as they relate to the improved instrument.

  19. Geobacter strains that use alternate organic compounds, methods of making, and methods of use thereof

    DOE Patents [OSTI]

    Lovley, Derek R; Summers, Zarath Morgan; Haveman, Shelley Annette; Izallalen, Mounir

    2013-12-03

    In preferred embodiments, the present invention provides new isolated strains of Geobacter species that are capable of using a carbon source that is selected from C.sub.3 to C.sub.12 organic compounds selected from pyruvate or metabolic precursors of pyruvate as an electron donor in metabolism and in subsequent energy production. In other aspects, other preferred embodiments of the present invention include methods of making such strains and methods of using such strains. In general, the wild type strain of the microorganisms has been shown to be unable to use these C.sub.3 to C.sub.12 organic compounds as electron donors in metabolic steps such as the reduction of metallic ions. The inventive strains of microorganisms are useful improving bioremediation applications, including in situ bioremediation (including uranium bioremediation and halogenated solvent bioremediation), microbial fuel cells, power generation from small and large-scale waste facilities (e.g., biomass waste from dairy, agriculture, food processing, brewery, or vintner industries, etc.) using microbial fuel cells, and other applications of microbial fuel cells, including, but not limited to, improved electrical power supplies for environmental sensors, electronic sensors, and electric vehicles.

  20. Implementation of a solvent management program to control paint shop volatile organic compounds

    SciTech Connect (OSTI)

    Floer, M.M.; Hicks, B.H.

    1997-12-31

    The majority of automobile assembly plant volatile organic compound (VOC) emissions are generated from painting operations. Typical paint operations generate more than 90 percent of the total plant emissions and, up to, 50 percent can be released by cleaning sources. Plant practices which contribute to the release of VOC emissions include the cleaning of paint lines and equipment, tanks, spray booths, floors and vehicles. Solvents continue to be the largest contributing source of VOC emissions in an automotive paint shop. To reduce overall VOC emissions, environmental regulations and guidelines were introduced under the Clean Air Act; Pollution Prevention and Waste Minimization programs, Control Techniques, and special air permit conditions. The introduction of these regulations and guidelines has driven industry toward continual refinement of their present cleaning methods while pursuing new techniques and technologies. Industry has also shown a proactive approach by introducing new waterborne and powder coating paint technologies to reduce overall emissions. As new paint technologies are developed and introduced, special attention must be given to the types of materials utilized for cleaning. The development and implementation of a solvent management program allows a facility to standardize a program to properly implement materials, equipment, technologies and work practices to reduce volatile organic compound emissions, meet strict cleaning requirements posed by new paint technologies and produce a vehicle which meets the high quality standards of the customer. This paper will assess the effectiveness of a solvent management program by examining pollution prevention initiatives and data from four different painting operations.

  1. Development of a modeling framework to predict indoor air concentrations of semivolatile organic compounds

    SciTech Connect (OSTI)

    Van Loy, M.D.; Nazaroff, W.W. [Univ. of California, Berkeley, CA (United States). Dept. of Civil and Environmental Engineering; Daisey, J.M. [Lawrence Berkeley National Lab., CA (United States). Environmental and Energy Technologies Div.

    1998-12-31

    Semivolatile organic compounds (SVOCs) are an important but largely unstudied class of indoor air pollutants. SVOCs have been well-studied as outdoor air pollutants, but much less effort has been focused on understanding the factors affecting their concentrations in indoor air. Because of these compounds` low (10-6 to 10 Pa at room temperature) vapor pressures, they readily partition into condensed phases from the gas phase. In outdoor air, this phenomenon is important as a source of secondary organic aerosol and as a mechanism for long range transport and persistence of SVOCs in the atmosphere as particle-phase species. Indoor environments include another potential condensed phase besides the airborne particle phase: surface materials such as carpet, wallboard, upholstery, ceiling tiles, linoleum, and many others. Adsorption to these materials has a markedly different effect on indoor contaminant concentrations because the condensed phase is stationary. Unlike the airborne particle phase, for which ventilation is a significant removal mechanism, the only significant pathway for removal of reversibly sorbed pollutants from the indoor environment is desorption into the gas phase followed by ventilation. Because buildings generally have a large surface area to gas-phase volume ratio, the net removal of SVOCs from the indoor environment via this mechanism is likely to be very slow. Compounds re-emitted from one surface are likely to quickly re-absorb to another. This paper presents an analysis of the factors affecting indoor concentrations of SVOCs including ventilation, gas-particle partitioning, gas phase sorption on indoor surfaces, particle deposition, and oxidative radical chemistry and estimates their relative importance to facilitate simplification of numerical simulations of indoor pollutant concentrations.

  2. Plasmas and Polymers, Vol. 5, Nos. 3/4, 2000 Synthesis of Organic Compounds from Mixtures of

    E-Print Network [OSTI]

    Greifswald, Ernst-Moritz-Arndt-Universität

    Plasmas and Polymers, Vol. 5, Nos. 3/4, 2000 Synthesis of Organic Compounds from Mixtures operation, due to surface modification processes (polymer film deposition, its oxidation or reduction gases; polymer films; dielectric-barrier discharge; organic synthesis. 1. INTRODUCTION The first

  3. Ozone-forming potential of a series of oxygenated organic compounds

    SciTech Connect (OSTI)

    Japar, S.M.; Wallington, T.J.; Rudy, S.J.; Chang, Tai Y. )

    1991-03-01

    An incremental reactivity approach has been used to assess the relative ozone-forming potentials of various important oxygenated fuels/fuel additives, i.e., tert-butyl alcohol (TBA), dimethyl ether (DME), diethyl ether (DEE), methyl tert-butyl ether (MTBE), and ethyl tert-butyl ether (ETBE), in a variety of environments. Calculations were performed using a single-cell trajectory model, combined with the Lurmann-Carter-Coyner chemical mechanism, with (NMOC)/(NO{sub x}) ratios ranging from 4 to 20. This work provides the first quantitative assessment of the air quality impact of release of these important oxygenated compounds. ETBE and DEE are the two most reactive compounds on a per carbon equivalent basis, while TBA is the least reactive species. At a (NMOC)/(NO{sub x}) ratio of 8, which is generally typical of polluted urban areas in the United States, TBA, DME, MTBE, and ETBE all have incremental reactivities less than or equal to that of the urban NMHC mix. Thus, use of these additives in fuels may have a beneficial impact on urban ozone levels.

  4. Electrosynthesis of Organic Compounds from Carbon Dioxide Is Catalyzed by a Diversity of Acetogenic Microorganisms

    SciTech Connect (OSTI)

    Nevin, KP; Hensley, SA; Franks, AE; Summers, ZM; Ou, JH; Woodard, TL; Snoeyenbos-West, OL; Lovley, DR

    2011-04-20

    Microbial electrosynthesis, a process in which microorganisms use electrons derived from electrodes to reduce carbon dioxide to multicarbon, extracellular organic compounds, is a potential strategy for capturing electrical energy in carbon-carbon bonds of readily stored and easily distributed products, such as transportation fuels. To date, only one organism, the acetogen Sporomusa ovata, has been shown to be capable of electrosynthesis. The purpose of this study was to determine if a wider range of microorganisms is capable of this process. Several other acetogenic bacteria, including two other Sporomusa species, Clostridium ljungdahlii, Clostridium aceticum, and Moorella thermoacetica, consumed current with the production of organic acids. In general acetate was the primary product, but 2-oxobutyrate and formate also were formed, with 2-oxobutyrate being the predominant identified product of electrosynthesis by C. aceticum. S. sphaeroides, C. ljungdahlii, and M. thermoacetica had high (> 80%) efficiencies of electrons consumed and recovered in identified products. The acetogen Acetobacterium woodii was unable to consume current. These results expand the known range of microorganisms capable of electrosynthesis, providing multiple options for the further optimization of this process.

  5. ACTION CONCENTRATION FOR MIXTURES OF VOLATILE ORGANIC COMPOUNDS (VOC) & METHANE & HYDROGEN

    SciTech Connect (OSTI)

    MARUSICH, R.M.

    2006-07-10

    Waste containers may contain volatile organic compounds (VOCs), methane, hydrogen and possibly propane. These constituents may occur individually or in mixtures. Determining if a waste container contains a flammable concentration of flammable gases and vapors (from VOCs) is important to the safety of the handling, repackaging and shipping activities. This report provides the basis for determining the flammability of mixtures of flammable gases and vapors. The concentration of a mixture that is at the lowest flammability limit for that mixture is called the action concentration. The action concentration can be determined using total VOC concentrations or actual concentration of each individual VOC. The concentrations of hydrogen and methane are included with the total VOC or individual VOC concentration to determine the action concentration. Concentrations below this point are not flammable. Waste containers with gas/vapor concentrations at or above the action concentration are considered flammable.

  6. Comparison of nonmethane organic compound concentration data collected by two methods in Atlanta

    SciTech Connect (OSTI)

    Shreffler, J.H.

    1993-12-01

    Title I of the Clean Air Act Amendments of 1990 calls for 'enhanced monitoring' of ozone, which is planned to include measurements of atmospheric non-methane organic compounds (NMOCs). NMOC concentration data gathered by two methods in Atlanta, Georgia during July and August 1990 are compared in order to assess the reliability of such measurements in an operational setting. During that period, automated gas chromatography (GC) systems (Field systems) were used to collect NMOC continuously as one-hour averages. In addition, canister samples of ambient air were collected on an intermittent schedule for quality control purposes and analyzed by laboratory GC (the Lab system). Data from the six-site network included concentrations of nitrogen oxides (NOx), carbon monoxide (CO), ozone, total NMOC (TNMOVC), and 47 identified NMOCs. (Copyright (c) 1993-Air Waste Management Association.)

  7. Degradation of organic chemicals with titanium ceramic membranes

    DOE Patents [OSTI]

    Anderson, Marc A. (Madison, WI); Tunesi, Simonetta (Madison, WI); Xu, Qunyin (Madison, WI)

    1991-01-01

    Complex organic molecules, such as polychlorinated biphenyls can be degraded on porous titanium ceramic membranes by photocatalysis under ultraviolet light.

  8. Study of organic compounds evolved during the co-firing of coal and refuse derived fuel using TG/MS

    SciTech Connect (OSTI)

    Puroshothama, Shobha; Lu, R.; Yang, Xiaodong

    1996-10-01

    The evolution of organic compounds during the combustion of carbonaceous fuel coupled with solid waste disposal and limited landfill space has been a cause for concern. Co-firing high sulfur coal with refuse derived fuel seems an attractive alternative technique to tackle the dual problem of controlling SO{sub x} emissions as well as those of the chlorinated organic toxins. The TG serves to emulate the conditions of the fluidized bed combustor and the MS serves as the detector for evolved gases. This versatile combination is used to study the decomposition pathway as well as predict the conditions at which various compounds are formed and may serve as a means of reducing the formation of these chlorinated organic compounds.

  9. Complex Organic and Inorganic Compounds in Shells of Lithium-rich K Giant Stars

    E-Print Network [OSTI]

    de la Reza, Ramiro; Oliveira, Isa; Rengaswamy, Sridharan

    2015-01-01

    Hydrocarbon organic material, as found in the interstellar medium, exists in complex mixtures of aromatic and aliphatic forms. It is considered to be originated from carbon enriched giant stars during their final stages of evolution, when very strong mass loss occurs in a few thousand years on their way to become planetary nebulae. We show here that the same organic compounds appear to be formed in previous stages of the evolution of giant stars. More specifically, during the first ascending giant branch K-type stars. According to our model this happens only when these stars are being abruptly enriched with lithium together with the formation of a circumstellar shell with a strong mass loss during just a few thousand years. This sudden mass loss is, on an average, a thousand times larger than that of normal Li-poor K giant stars. This shell would later be detached, specially when the star stops its Li enrichment and a rapid photospheric Li depletion occurs. In order to gain extra carbon-based material to form...

  10. Ventilation Control of Volatile Organic Compounds in New U.S. Homes: Results of a Controlled Field Study in Nine Residential Units

    SciTech Connect (OSTI)

    Willem, Henry; Hult, Erin L.; Hotchi, Toshifumi; Russell, Marion L.; Maddalena, Randy L.; Singer, Brett C.

    2013-01-01

    In order to optimize strategies to remove airborne contaminants in residences, it is necessary to determine how contaminant concentrations respond to changes in the air exchange rate. The impact of air exchange rate on the indoor concentrations of 39 target volatile organic compounds (VOCs) was assessed by measuring air exchange rates and VOC concentrations at three ventilation settings in nine residences. Active sampling methods were used for VOC concentration measurements, and passive perfluorocarbon tracer gas emitters with active sampling were used to determine the overall air exchange rate corresponding to the VOC measurements at each ventilation setting. The concentration levels and emission rates of the target VOCs varied by as much as two orders of magnitude across sites. Aldehyde and terpene compounds were typically the chemical classes with highest concentrations, followed by alkanes, aromatics, and siloxanes. For each home, VOC concentrations tended to decrease as the air exchange rate was increased, however, measurement uncertainty was significant. The indoor concentration was inversely proportional to air exchange rate for most compounds. For a subset of compounds including formaldehyde, however, the indoor concentration exhibited a non-linear dependence on the timescale for air exchange

  11. Laser ablation and ionisation by laser plasma radiation in the atmospheric-pressure mass spectrometry of organic compounds

    SciTech Connect (OSTI)

    Pento, A V; Nikiforov, S M; Simanovsky, Ya O; Grechnikov, A A; Alimpiev, S S

    2013-01-31

    A new method was developed for the mass spectrometric analysis of organic and bioorganic compounds, which involves laser ablation with the ionisation of its products by laser-plasma radiation and enables analysing gaseous, liquid, and solid substances at atmospheric pressure without sample preparation. The capabilities of this method were demonstrated by the examples of fast pharmaceutical composition screening, real-time atmosphere composition analysis, and construction of the mass spectrometric images of organic compound distributions in biological materials. (interaction of laser radiation with matter)

  12. Field evaluation of ground water sampling devices for volatile organic compounds

    SciTech Connect (OSTI)

    Muska, C F; Colven, W P; Jones, V D; Scogin, J T; Looney, B B; Price, V Jr

    1986-01-01

    Previous studies conducted under laboratory conditions demonstrated that the type of device used to sample ground water contaminated with volatile organic compounds can significantly influence and analytical results. The purpose of this study was to evaluate, under field conditions, both commercial and developmental ground water sampling devices as part of an ongoing ground water contamination investigation and remediation program at the Savannah River Plant (SRP). Ground water samples were collected using six types of sampling devices in monitoring wells of different depths and concentrations of volatile organic contaminants (primarily trichloroethylene and tetrachloroethylene). The study matrix was designed to statistically compare the reuslts of each sampling device under the test conditions. Quantitative and qualitative evaluation criteria were used to determine the relative performance of each device. Two categories of sampling devices were evaluated in this field study, positive displacement pumps and grab samplers. The positive displacement pumps consisted of a centrifugal (mechanical) pump and a bladder pump. The grab samples tested were a syringe sampler, a dual-check valve bailer, a surface bomb sampler, and a pressurized bailer. Preliminary studies were conducted to establish the analytical and sampling variability associated with each device. All six devices were then used to collect ground water samples in water table (unconfined), semi-confined aquifer, and confined aquifer monitoring wells. Results were evaluated against a set of criteria that included intrasampling device variability (precision), volatile organic concentration (accuracy), sampling and analytical logistics, and cost. The study showed that, by using careful and reproducible procedures, overall sampling variability is low regardless of sampling device.

  13. Degradation of organic chemicals with titanium ceramic membranes

    DOE Patents [OSTI]

    Anderson, M.A.; Tunesi, S.; Xu, Q.

    1991-07-30

    Complex organic molecules, such as polychlorinated biphenyls can be degraded on porous titanium ceramic membranes by photocatalysis under ultraviolet light. 3 figures.

  14. Single-reactor process for producing liquid-phase organic compounds from biomass

    DOE Patents [OSTI]

    Dumesic, James A.; Simonetti, Dante A.; Kunkes, Edward L.

    2015-12-08

    Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

  15. Single-reactor process for producing liquid-phase organic compounds from biomass

    DOE Patents [OSTI]

    Dumesic, James A. (Verona, WI); Simonetti, Dante A. (Middleton, WI); Kunkes, Edward L. (Madison, WI)

    2011-12-13

    Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

  16. The relation of certain organic phosphorus compounds to blood cholinesterase activity and their value as parasiticides in swine 

    E-Print Network [OSTI]

    Leon, Delfin Dancel de

    1960-01-01

    THE RELATION OF CERTAIN ORGANIC PHOSPHORUS COMPOUNDS TO BLOOD CHOLINESTERASE ACTIVITY AND THEIR VALUE AS PARASFIICIDES IN SWINE A Thesis By DELFIN DANCEL de LEON Submitted to the Graduate School of the Agricultural and Mechanical College... of Texas in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE August 1960 Major Subject: Animal Husbandry THE RELATION OF CERTAIN ORGANIC PHOSPHORUS CON/EXPOUNDS TO BLOOD CHOLINESTERASE ACTIVITT AND THEIR VALUE...

  17. SPECIATION OF TRACE ORGANIC LIGANDS AND INORGANIC AND ORGANOMETALLIC COMPOUNDS IN OIL SHALE PROCESS WATERS

    E-Print Network [OSTI]

    Fish, Richard H.

    2013-01-01

    organoarsenic compounds in oi.l shale process waters using aPresented at the 13th Oil Shale Symposium, Golden, CO, April~1ETALLIC COMPOUNDS IN OIL SHALE PROCESS WATERS Richard H.

  18. SPECIATION OF TRACE ORGANIC LIGANDS AND INORGANIC AND ORGANOMETALLIC COMPOUNDS IN OIL SHALE PROCESS WATERS

    E-Print Network [OSTI]

    Fish, Richard H.

    2013-01-01

    Presented at the 13th Oil Shale Symposium, Golden, CO, April~1ETALLIC COMPOUNDS IN OIL SHALE PROCESS WATERS Richard H.compounds in the seven oil shale process waters. These

  19. Comparisons of diffusive and advective fluxes of gas phase volatile organic compounds (VOCs) in unsaturated zones under natural conditions

    E-Print Network [OSTI]

    Zhan, Hongbin

    is traditionally treated as the dominant mechanism of gas transport in unsaturated zones under natural conditionsComparisons of diffusive and advective fluxes of gas phase volatile organic compounds (VOCs) in unsaturated zones under natural conditions Kehua You a , Hongbin Zhan a,b, a Department of Geology

  20. Petroporphyrins The most abundant and problematic metal compounds in crude oil exist as organic complexes of vanadium

    E-Print Network [OSTI]

    McQuade, D. Tyler

    Petroporphyrins ­The most abundant and problematic metal compounds in crude oil exist as organic of porphyrins is critical for developing petroleum upgrading processes, as well as linking crude oil to source rock conditions. Because petroporphyrins concentrate in heavy oils, direct characterization challenges

  1. LANL organic analysis detection capabilities for chemical and biological warfare agents

    SciTech Connect (OSTI)

    Ansell, G.B.; Cournoyer, M.E.; Hollis, K.W.; Monagle, M.

    1996-12-31

    Organic analysis is the analytical arm for several Los Alamos National Laboratory (LANL) research programs and nuclear materials processes, including characterization and certification of nuclear and nonnuclear materials used in weapons, radioactive waste treatment and waste certification programs. Organic Analysis has an extensive repertoire of analytical technique within the group including headspace gas, PCBs/pesticides, volatile organics and semivolatile organic analysis. In addition organic analysis has mobile labs with analytic capabilities that include volatile organics, total petroleum hydrocarbon, PCBs, pesticides, polyaromatic hydrocarbons and high explosive screening. A natural extension of these capabilities can be applied to the detection of chemical and biological agents,

  2. Polymer and carbon nanotube materials for chemical sensors and organic electronics

    E-Print Network [OSTI]

    Wang, Fei, Ph. D. Massachusetts Institute of Technology

    2010-01-01

    This thesis details the development of new materials for high-performance chemical sensing as well as organic electronic applications. In Chapter 2, we develop a chemiresistive material based on single-walled carbon nanotubes ...

  3. Source profiles for nonmethane organic compounds in the atmosphere of Cairo, Egypt.

    SciTech Connect (OSTI)

    Doskey, P. V.; Fukui, Y.; Sultan, M.; Maghraby, A. A.; Taher, A.; Environmental Research; Cairo Univ.

    1999-07-01

    Profiles of the sources of nonmethane organic compounds (NMOCs) were developed for emissions from vehicles, petroleum fuels (gasoline, liquefied petroleum gas (LPG), and natural gas), a petroleum refinery, a smelter, and a cast iron factory in Cairo, Egypt. More than 100 hydrocarbons and oxygenated hydrocarbons were tentatively identified and quantified. Gasoline-vapor and whole-gasoline profiles could be distinguished from the other profiles by high concentrations of the C{sub 5} and C{sub 6} saturated hydrocarbons. The vehicle emission profile was similar to the whole-gasoline profile, with the exception of the unsaturated and aromatic hydrocarbons, which were present at higher concentrations in the vehicle emission profile. High levels of the C{sub 2}-C{sub 4} saturated hydrocarbons, particularly n-butane, were characteristic features of the petroleum refinery emissions. The smelter and cast iron factory emissions were similar to the refinery emissions; however, the levels of benzene and toluene were greater in the former two sources. The LPG and natural gas emissions contained high concentrations of n-butane and ethane, respectively. The NMOC source profiles for Cairo were distinctly different from profiles for U.S. sources, indicating that NMOC source profiles are sensitive to the particular composition of petroleum fuels that are used in a location.

  4. Organic Rankine Cycles for the Petro-Chemical Industry 

    E-Print Network [OSTI]

    Rose, R. K.; Colosimo, D. D.

    1979-01-01

    considered to the limits of economic feasibility. However, both economic and technical feasibility limit the use of waste heat flows with conventional approaches in the 250 F to 350 F range. A packaged organic Rankine power cycle can technically...

  5. Thermochemistry of Silicon-Hydrogen Compounds Generalized from Quantum Chemical Calculations

    E-Print Network [OSTI]

    Swihart, Mark T.

    Engineering, Northwestern UniVersity, 2145 Sheridan Road, EVanston, Illinois 60208, and Department of Chemical Engineering, UniVersity at Buffalo, 907 Furnas Hall, Buffalo, New York 14260 ReceiVed: June 10, 2003; In Final hydrides within silicon chemical vapor deposition processes is an important source of yield loss during

  6. Analysis of the atmospheric distribution, sources, and sinks of oxygenated volatile organic chemicals based on

    E-Print Network [OSTI]

    Jacob, Daniel J.

    chemicals based on measurements over the Pacific during TRACE-P H. B. Singh,1 L. J. Salas,1 R. B. Chatfield measurements of a large number of oxygenated volatile organic chemicals (OVOC) were carried out in the Pacific of OVOC is comparable to that of methane and far exceeds that of NMHC. A comparison of these data

  7. 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 duringmore »photo-oxidation, and the final OA OS 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

  8. Chemiresistor microsensors for in-situ monitoring of volatile organic compounds : final LDRD report.

    SciTech Connect (OSTI)

    Thomas, Michael Loren; Hughes, Robert Clark; Kooser, Ara S.; McGrath, Lucas K.; Ho, Clifford Kuofei; Wright, Jerome L.; Davis, Chad Edward

    2003-09-01

    This report provides a summary of the three-year LDRD (Laboratory Directed Research and Development) project aimed at developing microchemical sensors for continuous, in-situ monitoring of volatile organic compounds. A chemiresistor sensor array was integrated with a unique, waterproof housing that allows the sensors to be operated in a variety of media including air, soil, and water. Numerous tests were performed to evaluate and improve the sensitivity, stability, and discriminatory capabilities of the chemiresistors. Field tests were conducted in California, Nevada, and New Mexico to further test and develop the sensors in actual environments within integrated monitoring systems. The field tests addressed issues regarding data acquisition, telemetry, power requirements, data processing, and other engineering requirements. Significant advances were made in the areas of polymer optimization, packaging, data analysis, discrimination, design, and information dissemination (e.g., real-time web posting of data; see www.sandia.gov/sensor). This project has stimulated significant interest among commercial and academic institutions. A CRADA (Cooperative Research and Development Agreement) was initiated in FY03 to investigate manufacturing methods, and a Work for Others contract was established between Sandia and Edwards Air Force Base for FY02-FY04. Funding was also obtained from DOE as part of their Advanced Monitoring Systems Initiative program from FY01 to FY03, and a DOE EMSP contract was awarded jointly to Sandia and INEEL for FY04-FY06. Contracts were also established for collaborative research with Brigham Young University to further evaluate, understand, and improve the performance of the chemiresistor sensors.

  9. Position for determining gas-phase volatile organic compound concentrations in transuranic waste containers. Revision 2

    SciTech Connect (OSTI)

    Connolly, M.J.; Liekhus, K.J.; Djordjevic, S.M.; Loehr, C.A.; Spangler, L.R.

    1998-06-01

    In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations.

  10. Position for determining gas phase volatile organic compound concentrations in transuranic waste containers. Revision 1

    SciTech Connect (OSTI)

    Connolly, M.J.; Liekhus, K.J.; Djordjevic, S.M.; Loehr, C.A.; Spangler, L.R.

    1995-08-01

    In the conditional no-migration determination (NMD) for the test phase of the Waste Isolation Pilot Plant (WIPP), the US Environmental Protection Agency (EPA) imposed certain conditions on the US Department of Energy (DOE) regarding gas phase volatile organic compound (VOC) concentrations in the void space of transuranic (TRU) waste containers. Specifically, the EPA required the DOE to ensure that each waste container has no layer of confinement that contains flammable mixtures of gases or mixtures of gases that could become flammable when mixed with air. The EPA also required that sampling of the headspace of waste containers outside inner layers of confinement be representative of the entire void space of the container. The EPA stated that all layers of confinement in a container would have to be sampled until DOE can demonstrate to the EPA that sampling of all layers is either unnecessary or can be safely reduced. A test program was conducted at the Idaho National Engineering Laboratory (INEL) to demonstrate that the gas phase VOC concentration in the void space of each layer of confinement in vented drums can be estimated from measured drum headspace using a theoretical transport model and that sampling of each layer of confinement is unnecessary. This report summarizes the studies performed in the INEL test program and extends them for the purpose of developing a methodology for determining gas phase VOC concentrations in both vented and unvented TRU waste containers. The methodology specifies conditions under which waste drum headspace gases can be said to be representative of drum gases as a whole and describes a method for predicting drum concentrations in situations where the headspace concentration is not representative. The methodology addresses the approach for determining the drum VOC gas content for two purposes: operational period drum handling and operational period no-migration calculations.

  11. Organic chemical aging mechanisms: An annotated bibliography. Waste Tank Safety Program

    SciTech Connect (OSTI)

    Samuels, W.D.; Camaioni, D.M.; Nelson, D.A.

    1993-09-01

    An annotated bibliography has been compiled of the potential chemical and radiological aging mechanisms of the organic constituents (non-ferrocyanide) that would likely be found in the UST at Hanford. The majority of the work that has been conducted on the aging of organic chemicals used for extraction and processing of nuclear materials has been in conjunction with the acid or PUREX type processes. At Hanford the waste being stored in the UST has been stabilized with caustic. The aging factors that were used in this work were radiolysis, hydrolysis and nitrite/nitrate oxidation. The purpose of this work was two-fold: to determine whether or not research had been or is currently being conducted on the species associated with the Hanford UST waste, either as a mixture or as individual chemicals or chemical functionalities, and to determine what areas of chemical aging need to be addressed by further research.

  12. Contribution from biogenic organic compounds to particle growth during the 2010 BEACHON-ROCS campaign in a Colorado temperate needleleaf forest

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

    Zhou, L.; Gierens, R.; Sogachev, A.; Mogensen, D.; Ortega, J.; Smith, J. N.; Harley, P. C.; Prenni, A. J.; Levin, E. J. T.; Turnipseed, A.; et al

    2015-08-06

    New particle formation (NPF) is an important atmospheric phenomenon. During an NPF event, particles first form by nucleation and then grow further in size. The growth step is crucial because it controls the number of particles that can become cloud condensation nuclei. Among various physical and chemical processes contributing to particle growth, condensation by organic vapors has been suggested as important. In order to better understand the influence of biogenic emissions on particle growth, we carried out modeling studies of NPF events during the BEACHON-ROCS (Bio–hydro–atmosphere interactions of Energy, Aerosol, Carbon, H2O, Organics & Nitrogen – Rocky Mountain Organic Carbonmore »Study) campaign at Manitou Experimental Forest Observatory in Colorado, USA. The site is representative of the semi-arid western USA. With the latest Criegee intermediate reaction rates implemented in the chemistry scheme, the model underestimates sulfuric acid concentration by 50 %, suggesting either missing sources of atmospheric sulfuric acid or an overestimated sink term. The results emphasize the contribution from biogenic volatile organic compound emissions to particle growth by demonstrating the effects of the oxidation products of monoterpenes and 2-Methyl-3-buten-2-ol (MBO). Monoterpene oxidation products are shown to influence the nighttime particle loadings significantly, while their concentrations are insufficient to grow the particles during the day. The growth of ultrafine particles in the daytime appears to be closely related to the OH oxidation products of MBO.« less

  13. Occupational hygiene in terms of volatile organic compounds (VOCs) and bioaerosols at two solid waste management plants in Finland

    SciTech Connect (OSTI)

    Lehtinen, Jenni; Tolvanen, Outi; Nivukoski, Ulla; Veijanen, Anja; Hänninen, Kari

    2013-04-15

    Highlights: ? Odorous VOCs: acetic acid, 2,3-butanedione, ethyl acetate, alpha-pinene and limonene. ? VOC concentrations did not exceed occupational exposure limit concentrations. ? 2,3-Butanedione as the health effecting compound is discussed. ? Endotoxin concentrations may cause health problems in waste treatment. - Abstract: Factors affecting occupational hygiene were measured at the solid waste transferring plant at Hyvinkää and at the optic separation plant in Hämeenlinna. Measurements consisted of volatile organic compounds (VOCs) and bioaerosols including microbes, dust and endotoxins. The most abundant compounds in both of the plants were aliphatic and aromatic hydrocarbons, esters of carboxylic acids, ketones and terpenes. In terms of odour generation, the most important emissions were acetic acid, 2,3-butanedione, ethyl acetate, alpha-pinene and limonene due to their low threshold odour concentrations. At the optic waste separation plant, limonene occurred at the highest concentration of all single compounds of identified VOCs. The concentration of any single volatile organic compound did not exceed the occupational exposure limit (OEL) concentration. However, 2,3-butanedione as a health risk compound is discussed based on recent scientific findings linking it to lung disease. Microbe and dust concentrations were low at the waste transferring plant. Only endotoxin concentrations may cause health problems; the average concentration inside the plant was 425 EU/m{sup 3} which clearly exceeded the threshold value of 90 EU/m{sup 3}. In the wheel loader cabin the endotoxin concentrations were below 1 EU/m{sup 3}. High microbial and endotoxin concentrations were measured in the processing hall at the optic waste separation plant. The average concentration of endotoxins was found to be 10,980 EU/m{sup 3}, a concentration which may cause health risks. Concentrations of viable fungi were quite high in few measurements in the control room. The most problematic factor was endotoxins whose average measured concentrations was 4853 EU/m{sup 3}.

  14. Measuring indigenous photosynthetic organisms to detect chemical warefare agents in water

    DOE Patents [OSTI]

    Greenbaum, Elias; Sanders, Charlene A.

    2005-11-15

    A method of testing water to detect the presence of a chemical or biological warfare agent is disclosed. The method is carried out by establishing control data by providing control water containing indigenous organisms but substantially free of a chemical and a biological warfare agent. Then measuring photosynthetic activity of the control water with a fluorometer to obtain control data to compare with test data to detect the presence of the chemical or agent. The test data is gathered by providing test water comprising the same indigenous organisms as contained in the control water. Further, the test water is suspected of containing the chemical or agent to be tested for. Photosynthetic activity is also measured by fluorescence induction in the test water using a fluorometer.

  15. Isotopic constraints on the sources and associations of organic compounds in marine sediments

    E-Print Network [OSTI]

    White, Helen K

    2006-01-01

    To provide a new perspective on the fate of both natural organic matter and hydrophobic organic contaminants (HOCs) in marine sediments, we have investigated the relationship between radiocarbon (14C) age and the different ...

  16. Recovery of semi-volatile organic compounds during sample preparation: Compilation for characterization of airborne particulate matter

    SciTech Connect (OSTI)

    Swartz, Erick; Stockburger, Leonard; Gundel, Lara

    2002-05-01

    Semi-volatile compounds present special analytical challenges not met by conventional methods for analysis of ambient particulate matter (PM). Accurate quantification of PM-associated organic compounds requires validation of the laboratory procedures for recovery over a wide volatility and polarity range. To meet these challenges, solutions of n-alkanes (nC{sub 12} to nC{sub 40}) and polycyclic aromatic hydrocarbons PAHs (naphthalene to benzo[ghi]perylene) were reduced in volume from a solvent mixture (equal volumes of hexane, dichloromethane and methanol), to examine recovery after reduction in volume. When the extract solution volume reached 0.5 mL the solvent was entirely methanol, and the recovery averaged 60% for n-alkanes nC{sub 12} to nC{sub 25} and PAHs from naphthalene to chrysene. Recovery of higher MW compounds decreased with MW, because of their insolubility in methanol. When the walls of the flasks were washed with 1 mL of equal parts hexane and dichloromethane (to reconstruct the original solvent composition), the recovery of nC{sub 18} and higher MW compounds increased dramatically, up to 100% for nC{sub 22}-nC{sub 32} and then slowly decreasing with MW due to insolubility. To examine recovery during extraction of the components of the High Capacity Integrated Gas and Particle Sampler, the same standards were used to spike its denuders and filters. For XAD-4 coated denuders and filters, normalized recovery was > 95% after two extractions. Recovery from spiked quartz filters matched the recovery from the coated surfaces for alkanes nC{sub 18} and larger, and for fluoranthene and larger PAHs. Lower MW compounds evaporated from the quartz filter with the spiking solvent. This careful approach allowed quantification of organics by correcting for volatility- and solubility-related sample preparation losses. This method is illustrated for an ambient sample collected with this sampler during the Texas Air Quality Study 2000.

  17. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    E-Print Network [OSTI]

    2010-01-01

    Butene cis-2-Butene 1,3-Butadiene 1-Pentene trans-2-Pentenei-Pentane n-Pentane 1,3-Butadiene 1-Pentene Isoprene trans-i-Pentane n-Pentane 1,3-Butadiene 1-Pentene Isoprene trans-

  18. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    E-Print Network [OSTI]

    2010-01-01

    methanol, ethanol, formaldehyde, acetaldehyde), while higher VOCs are represented as a lumped alkane (BIGANE), lumped alkene (BIGENE) and lumped aromatic (

  19. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    E-Print Network [OSTI]

    2010-01-01

    C-130 T0 T1 G1 Ethane Propane i-Butane n-Butane i-Pentane n-ppbv) Ethane Ethene Ethyne Propane Propene i-Butane n-Butanee.g. , ethane, ethene, propane, propane, methanol, ethanol,

  20. Chemical evolution of volatile organic compounds in the outflow of the Mexico City Metropolitan area

    E-Print Network [OSTI]

    2010-01-01

    results in bar graphs and pie charts. The bar graphs show03:00 p.m. Shown in the first pie chart to the right of eachof each bar graph is a pie chart showing the breakdown of

  1. Highly efficient organic light-emitting diodes with a silole-based compound Center for Display Research, Department of Electrical and Electronic Engineering, The Hong Kong

    E-Print Network [OSTI]

    the emission efficiency of organic light-emitting diodes OLED . For con- ventional undoped small-molecule OLEDHighly efficient organic light-emitting diodes with a silole-based compound H. Y. Chen Center Efficient light emission was obtained in a silole-based organic light-emitting diode. A high luminous

  2. Response of fine particulate matter to emission changes of oxides of nitrogen and anthropogenic volatile organic compounds in the eastern United States

    SciTech Connect (OSTI)

    Alexandra P. Tsimpidi; Vlassis A. Karydis; Spyros N. Pandis

    2008-11-15

    A three-dimensional chemical transport model (Particulate Matter Comprehensive Air Quality Model with Extensions) is used to investigate changes in fine particle (PM2.5) concentrations in response to 50% emissions changes of oxides of nitrogen (NOx) and anthropogenic volatile organic compounds (VOCs) during July 2001 and January 2002 in the eastern United States. The reduction of NOx emissions by 50% during the summer results in lower average oxidant levels and lowers PM2.5 (8% on average), mainly because of reductions of sulfate (9-11%), nitrate (45-58%), and ammonium (7-11%). The organic particulate matter (PM) slightly decreases in rural areas, whereas it increases in cities by a few percent when NOx is reduced. Reduction of NOx during winter causes an increase of the oxidant levels and a rather complicated response of the PM components, leading to small net changes. Sulfate increases (8-17%), nitrate decreases (18-42%), organic PM slightly increases, and ammonium either increases or decreases a little. The reduction of VOC emissions during the summer causes on average a small increase of the oxidant levels and a marginal increase in PM2.5. This small net change is due to increases in the inorganic components and decreases of the organic ones. Reduction of VOC emissions during winter results in a decrease of the oxidant levels and a 5-10% reduction of PM2.5 because of reductions in nitrate (4-19%), ammonium (4-10%), organic PM (12-14%), and small reductions in sulfate. Although sulfur dioxide (SO{sub 2}) reduction is the single most effective approach for sulfate control, the coupled decrease of SO{sub 2} and NOx emissions in both seasons is more effective in reducing total PM2.5 mass than the SO{sub 2} reduction alone. 34 refs., 7 figs., 1 tab.

  3. Vehicular emission of volatile organic compounds (VOCs) from a tunnel study in Hong Kong

    E-Print Network [OSTI]

    2009-01-01

    Chemistry and Physics Vehicular emission of volatile organicY. , and Huang, Y. S. : Emission factors and characteristicslight-duty vehicle emissions, Environ. Sci. Technol. , 30,

  4. Carbon isotope ratios of organic compound fractions in oceanic suspended particles

    E-Print Network [OSTI]

    Hwang, Jeomshik; Druffel, Ellen R. M

    2006-01-01

    Radiocarbon evidence of fossil-carbon cycling in sediments1968), Metabolic fractionation of carbon isotopes in marineof particulate organic carbon using bomb 14 C, Nature,

  5. P-230 / X. Yu P-230: Novel Electrical-Chemically Polished Stainless Steel Anode Organic

    E-Print Network [OSTI]

    roughness reached 1.93nm. Then Organic Light Emission Devices (OLEDs) were fabricated on it with Alq3 under better condition. Keywords: electrical-chemically polishing, stainless steel, OLEDs, lighting 1. Introduction One big advantage for OLEDs being used as lighting source is: its emitted light could be tuned

  6. "The disintegration of organic compounds by microorganisms is accompanied by the liberation of

    E-Print Network [OSTI]

    Lovley, Derek

    comple- ment of enzymes necessary to completely oxidize organic fuels to carbon dioxide is not yet they are `carbon-neutral'; the oxidation of the organic matter only releases recently fixed carbon back and sediments. The ubiquitous and innocuous properties of fuels for microbial fuel cells alleviates the need

  7. Ecosystem-scale volatile organic compound fluxes during an extreme drought in a broadleaf temperate forest of the Missouri Ozarks (central USA)

    E-Print Network [OSTI]

    2015-01-01

    Environmental Protection Agency, National Risk Management Research Laboratory, Research Triangle Park, NC 27711, USA, 8 Atmospheric Chemistryenvironmental factors on organic compounds from oil palms in South-East Asia. Atmospheric Chemistry

  8. Volatilization of selected organic compounds from a creosote-waste land-treatment facility. Master's thesis

    SciTech Connect (OSTI)

    Scott, E.J.

    1989-01-01

    The purpose of this research was to evaluate the emissions of volatile and semi-volatile compounds which are constituents of a complex creosote waste from laboratory simulations of a land treatment system to assess the potential human exposure to hazardous compounds from this source. In addition, the Thibodeaux-Hwang Air Emission Release Rate (AERR) model was evaluated for its use in predicting emission rates of hazardous constituents of creosote wood preservative waste from land treatment facilities. A group of hazardous volatile and semi-volatile constituents present in the creosote waste was selected for evaluation in this study and included a variety of polynuclear aromatic hydrocarbons (PNA's), phenol, and chlorinated and substituted phenols.

  9. The effect of mean cell residence time on the adsorbability of dissolved organic compounds found in petrochemical wastewaters 

    E-Print Network [OSTI]

    Johnson, Timothy Loring

    1979-01-01

    , each with a different mean cell residence time, biologically treated the waste- water. Follow1ng biolog1cal treatment, the wastewater was subjected to activated carbon adsorption treatment. The Freundlich isotherm, non-adsorbable organic compound... concen- trations and carbon dosage requ1rements were used to evaluate the re- sults of the carbon adsorpt1on treatments. The type and particle size of the carbon used rema1ned constant throughout the study. Any changes 1n the act1vated carbons adsorpt...

  10. Current emission trends for nitrogen oxides, sulfur dioxide, and volatile organic compounds by month and state: Methodology and results

    SciTech Connect (OSTI)

    Kohout, E.J.; Miller, D.J.; Nieves, L.A.; Rothman, D.S.; Saricks, C.L.; Stodolsky, F.; Hanson, D.A.

    1990-08-01

    This report presents estimates of monthly sulfur dioxide (SO{sub 2}), nitrogen oxides (NO{sub x}), and nonmethane voltatile organic compound (VOC) emissions by sector, region, and state in the contiguous United States for the years 1975 through 1988. This work has been funded as part of the National Acid Precipitation Assessment Program`s Emissions and Controls Task Group by the US Department of Energy (DOE) Office of Fossil Energy (FE). The DOE project officer is Edward C. Trexler, DOE/FE Office of Planning and Environment.

  11. Current emission trends for nitrogen oxides, sulfur dioxide, and volatile organic compounds by month and state: Methodology and results

    SciTech Connect (OSTI)

    Kohout, E.J.; Miller, D.J.; Nieves, L.A.; Rothman, D.S.; Saricks, C.L.; Stodolsky, F.; Hanson, D.A.

    1990-08-01

    This report presents estimates of monthly sulfur dioxide (SO{sub 2}), nitrogen oxides (NO{sub x}), and nonmethane voltatile organic compound (VOC) emissions by sector, region, and state in the contiguous United States for the years 1975 through 1988. This work has been funded as part of the National Acid Precipitation Assessment Program's Emissions and Controls Task Group by the US Department of Energy (DOE) Office of Fossil Energy (FE). The DOE project officer is Edward C. Trexler, DOE/FE Office of Planning and Environment.

  12. Natural volatile organic compound emissions from plants and their roles in oxidant balance and particle formation

    E-Print Network [OSTI]

    Kesselmeier, JC

    2009-01-01

    of Emissions of Gases and Aero- sols from Nature), Atmos.of secondary organic aero­ sol: A global modeling study, J.and M. Razzaghi (1989), Aero­bic ethanol-production by

  13. Evaluation of a robust, diimide-based, porous organic polymer (POP) as a high-capacity sorbent for representative chemical

    E-Print Network [OSTI]

    Evaluation of a robust, diimide-based, porous organic polymer (POP) as a high-capacity sorbent A previously described porous organic polymer (NU-POP-1) was evaluated against four representative chemical an activated, impregnated carbon. The ability to remove the highly volatile toxic chemicals ammonia

  14. Old and stable soil organic matter is not necessarily chemically recalcitrant: Implications for modeling concepts and temperature sensitivity

    SciTech Connect (OSTI)

    Kleber, M.; Nico, P.S.; Plante, A.; Filley, T.; Kramer, M.; Swanston, C.; Sollins, P.

    2010-03-01

    Soil carbon turnover models generally divide soil carbon into pools with varying intrinsic decomposition rates. Although these decomposition rates are modified by factors such as temperature, texture, and moisture, they are rationalized by assuming chemical structure is a primary controller of decomposition. In the current work, we use near edge X-ray absorption fine structure (NEXAFS) spectroscopy in combination with differential scanning calorimetry (DSC) and alkaline cupric oxide (CuO) oxidation to explore this assumption. Specifically, we examined material from the 2.3-2.6 kg L{sup -1} density fraction of three soils of different type (Oxisol, Alfisol, Inceptisol). The density fraction with the youngest {sup 14}C age (Oxisol, 107 years) showed the highest relative abundance of aromatic groups and the lowest O-alkyl C/aromatic C ratio as determined by NEXAFS. Conversely, the fraction with the oldest C (Inceptisol, 680 years) had the lowest relative abundance of aromatic groups and highest O-alkyl C/aromatic C ratio. This sample also had the highest proportion of thermally labile materials as measured by DSC, and the highest ratio of substituted fatty acids to lignin phenols as indicated by CuO oxidation. Therefore, the organic matter of the Inceptisol sample, with a {sup 14}C age associated with 'passive' pools of carbon (680 years), had the largest proportion of easily metabolizable organic molecules with low thermodynamic stability, whereas the organic matter of the much younger Oxisol sample (107 years) had the highest proportion of supposedly stable organic structures considered more difficult to metabolize. Our results demonstrate that C age is not necessarily related to molecular structure or thermodynamic stability, and we suggest that soil carbon models would benefit from viewing turnover rate as codetermined by the interaction between substrates, microbial actors, and abiotic driving variables. Furthermore, assuming that old carbon is composed of complex or 'recalcitrant' compounds will erroneously attribute a greater temperature sensitivity to those materials than they may actually possess.

  15. Isotopes of Volatile Organic Compounds: An Emerging Approach for Studying Atmospheric Budgets and Chemistry

    E-Print Network [OSTI]

    Goldstein, Allen

    Emissions 5034 4.1.1. Fossil Fuels 5034 4.1.2. Transportation 5036 4.1.3. Industrial Production 5036 4 Isotope Effects 5038 5.1. Chemical and Photochemical Processes 5038 5.1.1. Production 5038 5.1.2. Losses of carbonaceous particles. This technique has since been applied to VOCs such as formaldehyde, other aldehydes, ac

  16. Supporting Information1 Condensational Uptake of Semivolatile Organic Compounds in Gasoline3

    E-Print Network [OSTI]

    Meskhidze, Nicholas

    by oxidation with OH, NO3 and O3 was calculated with rate41 coefficients of 1.2E-11, 1.2E-14 and 6.7E-18 cm3 20 21 AURAMS Description22 23 AURAMS (version 1.4.0) is an off-line chemical transport model (CTM) that is24 driven by the Canadian operational weather forecast model, GEM (Global Environmental25

  17. Polybenzimidazole compounds

    DOE Patents [OSTI]

    Klaehn, John R. (Idaho Falls, ID); Peterson, Eric S. (Idaho Falls, ID); Wertsching, Alan K. (Idaho Falls, ID); Orme, Christopher J. (Shelley, ID); Luther, Thomas A. (Idaho Falls, ID); Jones, Michael G. (Pocatello, ID)

    2010-08-10

    A PBI compound that includes imidazole nitrogens, at least a portion of which are substituted with an organic-inorganic hybrid moiety. At least 85% of the imidazole nitrogens may be substituted. The organic-inorganic hybrid moiety may be an organosilane moiety, for example, (R)Me.sub.2SiCH.sub.2--, where R is selected from among methyl, phenyl, vinyl, and allyl. The PBI compound may exhibit similar thermal properties in comparison to the unsubstituted PBI. The PBI compound may exhibit a solubility in an organic solvent greater than the solubility of the unsubstituted PBI. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may occur at about room temperature and/or at about atmospheric pressure. Substituting may use at least five equivalents in relation to the imidazole nitrogens to be substituted or, preferably, about fifteen equivalents.

  18. INCOMPATIBLE CHEMICAL LIST PRUDENT PRACTICES FOR HANDLING CHEMICALS IN LABORATORIES

    E-Print Network [OSTI]

    Zhang, Zhongfei "Mark"

    of Incompatible Chemicals CHEMICAL IS INCOMPATIBLE WITH Acetic Acid Chromic acid, nitric acid, hydroxyl compounds, finely divided organic or combustible materials Chromic acid and chromium trioxide Acetic acid Acetylene, fulminic acid, ammonia Nitrates Sulfuric acid Nitric acid (concentrated) Acetic acid, aniline

  19. Minocycline and doxycycline, but not other tetracycline-derived compounds, protect liver cells from chemical hypoxia and ischemia/reperfusion injury by inhibition of the mitochondrial calcium uniporter

    SciTech Connect (OSTI)

    Schwartz, Justin; Holmuhamedov, Ekhson; Zhang, Xun; Lovelace, Gregory L.; Smith, Charles D. [Department of Drug Discovery and Biomedical Sciences, Medical University of South Carolina, Charleston, SC (United States); Lemasters, John J., E-mail: JJLemasters@musc.edu [Department of Drug Discovery and Biomedical Sciences, Medical University of South Carolina, Charleston, SC (United States); Department of Biochemistry and Molecular Biology, Medical University of South Carolina, Charleston, SC (United States)

    2013-11-15

    Minocycline, a tetracycline-derived compound, mitigates damage caused by ischemia/reperfusion (I/R) injury. Here, 19 tetracycline-derived compounds were screened in comparison to minocycline for their ability to protect hepatocytes against damage from chemical hypoxia and I/R injury. Cultured rat hepatocytes were incubated with 50 ?M of each tetracycline-derived compound 20 min prior to exposure to 500 ?M iodoacetic acid plus 1 mM KCN (chemical hypoxia). In other experiments, hepatocytes were incubated in anoxic Krebs–Ringer–HEPES buffer at pH 6.2 for 4 h prior to reoxygenation at pH 7.4 (simulated I/R). Tetracycline-derived compounds were added 20 min prior to reperfusion. Ca{sup 2+} uptake was measured in isolated rat liver mitochondria incubated with Fluo-5N. Cell killing after 120 min of chemical hypoxia measured by propidium iodide (PI) fluorometry was 87%, which decreased to 28% and 42% with minocycline and doxycycline, respectively. After I/R, cell killing at 120 min decreased from 79% with vehicle to 43% and 49% with minocycline and doxycycline. No other tested compound decreased killing. Minocycline and doxycycline also inhibited mitochondrial Ca{sup 2+} uptake and suppressed the Ca{sup 2+}-induced mitochondrial permeability transition (MPT), the penultimate cause of cell death in reperfusion injury. Ru360, a specific inhibitor of the mitochondrial calcium uniporter (MCU), also decreased cell killing after hypoxia and I/R and blocked mitochondrial Ca{sup 2+} uptake and the MPT. Other proposed mechanisms, including mitochondrial depolarization and matrix metalloprotease inhibition, could not account for cytoprotection. Taken together, these results indicate that minocycline and doxycycline are cytoprotective by way of inhibition of MCU. - Highlights: • Minocycline and doxycycline are the only cytoprotective tetracyclines of those tested • Cytoprotective tetracyclines inhibit the MPT and mitochondrial calcium and iron uptake. • Cytoprotective tetracyclines protect by inhibiting the MCU.

  20. III-nitride quantum cascade detector grown by metal organic chemical vapor deposition

    SciTech Connect (OSTI)

    Song, Yu, E-mail: yusong@princeton.edu; Huang, Tzu-Yung; Badami, Pranav; Gmachl, Claire [Department of Electrical Engineering, Princeton University, Princeton, New Jersey 08540 (United States); Bhat, Rajaram; Zah, Chung-En [Corning Incorporated, Corning, New York 14831 (United States)

    2014-11-03

    Quantum cascade (QC) detectors in the GaN/Al{sub x}Ga{sub 1?x}N material system grown by metal organic chemical vapor deposition are designed, fabricated, and characterized. Only two material compositions, i.e., GaN as wells and Al{sub 0.5}Ga{sub 0.5}N as barriers are used in the active layers. The QC detectors operates around 4??m, with a peak responsivity of up to ?100??A/W and a detectivity of up to 10{sup 8} Jones at the background limited infrared performance temperature around 140?K.

  1. Method of making AlInSb by metal-organic chemical vapor deposition

    DOE Patents [OSTI]

    Biefeld, Robert M. (Albuquerque, NM); Allerman, Andrew A. (Albuquerque, NM); Baucom, Kevin C. (Albuquerque, NM)

    2000-01-01

    A method for producing aluminum-indium-antimony materials by metal-organic chemical vapor deposition (MOCVD). This invention provides a method of producing Al.sub.X In.sub.1-x Sb crystalline materials by MOCVD wherein an Al source material, an In source material and an Sb source material are supplied as a gas to a heated substrate in a chamber, said Al source material, In source material, and Sb source material decomposing at least partially below 525.degree. C. to produce Al.sub.x In.sub.1-x Sb crystalline materials wherein x is greater than 0.002 and less than one.

  2. Advanced heat pump for the recovery of volatile organic compounds. Phase 1, Conceptual design of an advanced Brayton cycle heat pump for the recovery of volatile organic compounds: Final report

    SciTech Connect (OSTI)

    Not Available

    1992-03-01

    Emissions of Volatile Organic Compounds (VOC) from stationary industrial and commercial sources represent a substantial portion of the total US VOC emissions. The ``Toxic-Release Inventory`` of The US Environmental Protection Agency estimates this to be at about 3 billion pounds per year (1987 estimates). The majority of these VOC emissions are from coating processes, cleaning processes, polymer production, fuel production and distribution, foam blowing,refrigerant production, and wood products production. The US Department of Energy`s (DOE) interest in the recovery of VOC stems from the energy embodied in the recovered solvents and the energy required to dispose of them in an environmentally acceptable manner. This Phase I report documents 3M`s work in close working relationship with its subcontractor Nuclear Consulting Services (Nucon) for the preliminary conceptual design of an advanced Brayton cycle heat pump for the recovery of VOC. Nucon designed Brayton cycle heat pump for the recovery of methyl ethyl ketone and toluene from coating operations at 3M Weatherford, OK, was used as a base line for the work under cooperative agreement between 3M and ODE. See appendix A and reference (4) by Kovach of Nucon. This cooperative agreement report evaluates and compares an advanced Brayton cycle heat pump for solvent recovery with other competing technologies for solvent recovery and reuse. This advanced Brayton cycle heat pump is simple (very few components), highly reliable (off the shelf components), energy efficient and economically priced.

  3. Particulate Matter Sampling and Volatile Organic Compound Removal for Characterization of Spark Ignited Direct Injection Engine Emissions

    SciTech Connect (OSTI)

    Matthias, Nick; Farron, Carrie; Foster, David E.; Andrie, Mike; Krieger, Roger; Najt, Paul; Narayanaswamy, Kushal; Solomon, Arun; Zelenyuk, Alla

    2012-01-01

    More stringent emissions regulations are continually being proposed to mitigate adverse human health and environmental impacts of internal combustion. With that in mind, it has been proposed that vehicular particulate matter (PM) emissions should be regulated based on particle number in addition to particle mass. One aspect of this project is to study different sample handling methods for number based aerosol measurements, specifically, two different methods for removing volatile organic compounds (VOCs) from an aerosol sample. One method is a Dekati Thermodenuder (TD) and the other is an evaporative chamber/diluter (EvCh). These sample handling methods have been implemented for this project in an engine test cell built around a direct injection spark ignited (DISI) engine. The engine was designed for stoichiometric, homogeneous combustion. Direct injection is of particular interest for improved fuel efficiency but this comes with the production of a significant amount of (PM) and may therefore be subject to the proposed number based regulation. Another aspect of this project is to characterize PM from this engine in terms of particle number and composition. The first interesting observation is that PM number distributions, acquired using a TSI SMPS, have a large accumulation mode (30-294 nm) but a very small nuclei mode (8-30 nm). This is understood to represent a lack of condensation particles meaning that neither the exhaust conditions nor the sample handling conditions are conducive to condensation. This lack of nuclei mode does not, however, represent a lack of VOCs in the sample. It has been observed, using mass spectral analysis (limited to PM>50 nm), that PM from the DISI engine has approximately 40% organic content through varying operating conditions. This begs the question of how effective different sample handling methods are at removing these VOCs. For one specific operating condition, called Cold Start, the un-treated PM was 40% organic. The TD reduced this by 7% while the EvCh reduced it by 13%. For other operating conditions, PM treated for volatile removal actually exhibited an increase in organic fraction on the order of 5%. This addition appears to be sensitive to the gaseous hydrocarbon concentrations in the exhaust although a precise correlation has not yet been derived. It has been concluded that VOCs are tightly bound to the PM carbon core and thus are not effectively removed by either treatment method.

  4. Extending the Range of Organic Compounds that Can Be Destroyed Using the Process of Adsorption Coupled with Electrochemical Regeneration - 13054

    SciTech Connect (OSTI)

    Brown, Nigel; Lodge, Mike; Hilton, Linda; Adams, Alex [Arvia Technology Ltd, Sci-Tech Daresbury, Keckwick Lane, Daresbury, Cheshire, WA4, 4FS (United Kingdom)] [Arvia Technology Ltd, Sci-Tech Daresbury, Keckwick Lane, Daresbury, Cheshire, WA4, 4FS (United Kingdom); Vaudey, Claire-Emilie [AREVA CL BU, AREVA BUA STMI ZAC de Courcelle 1 route de la Noue 91196 Gif-sur-Yvette (France)] [AREVA CL BU, AREVA BUA STMI ZAC de Courcelle 1 route de la Noue 91196 Gif-sur-Yvette (France); Toulemonde, Valerie [AREVA DRD, Tour AREVA, 1, place Jean Millier, 92084 Paris La Defense Cedex (France)] [AREVA DRD, Tour AREVA, 1, place Jean Millier, 92084 Paris La Defense Cedex (France)

    2013-07-01

    The nuclear industry is not a provider of oils and solvents but uses them in motors, equipment and even in chemical processes to extract valuable products. Currently, for old and contaminated oils and solvents, techniques still exist, such as incineration, but not all the oils and solvents are compatible with this technique because the activities of some components inside the oils are too high to be accepted at the incineration facility. For these oils, an alternative technique needs to be found for treatment. A process developed for water treatment using a technique of adsorption coupled with electrochemical regeneration has been investigated to assess its capability to treat these organic wastes. One of the strengths of the process is its flexibility and adaptation to different compositions of oils. This point is important because, in the AREVA case, there are a lot of small volumes of old oils which need to be re-characterized. It takes time and money to do it especially when oils are contaminated; this is one reason why the technique is interesting to investigate. Tests have been performed with different oils coming from different sites to test the feasibility. Results demonstrate the destruction of a range of organics with regeneration energy requirements of 13.4 - 68.7 kWh/l and offer confidence for the future potential of the process. (authors)

  5. Improved sensor selectivity for chemical vapors using organic thin-film transistors

    E-Print Network [OSTI]

    Royer, James Edward

    2012-01-01

    2012, American Chemical Society 3.1 Abstract Air-stablethe American Chemical Society 4.1 Abstract Direct selectiveChemical Vapor Detection Abstract

  6. Contribution of gas phase oxidation of volatile organic compounds to atmospheric carbon monoxide levels in two areas of the United States

    E-Print Network [OSTI]

    Dabdub, Donald

    - house gas, but also the hydroperoxide radical (HO2). HO2 converts nitric oxide to nitrogen dioxideContribution of gas phase oxidation of volatile organic compounds to atmospheric carbon monoxide. Chen, K. Carmody, S. Vutukuru, and D. Dabdub (2007), Contribution of gas phase oxidation of volatile

  7. Platinum-CatalyzedOxidations of Organic Compounds by Ferric Sulfate: Use of a Redox Fuel Cell to Mediate Complete Oxidation of

    E-Print Network [OSTI]

    Prentiss, Mara

    Platinum-CatalyzedOxidations of Organic Compounds by Ferric Sulfate: Use of a Redox Fuel Cell of a redox fuel cell. Figure 1 shows a schematic of the fuel cell. Fe(I1) was electrochemically oxidized consisted of WDF graphite felt (Union Carbide) that was surface oxidized with boiling, concentrated nitric

  8. Particulate Matter Sampling and Volatile Organic Compound Removal for Characterization of Spark Ignited Direct Injection Engine Emissions

    SciTech Connect (OSTI)

    Matthias, Nicholas; Farron, Carrie; Foster, David E.; Andrie, Michael; Krieger, Roger; Najt, Paul M.; Narayanaswamy, Kushal; Solomon, Arun S.; Zelenyuk, Alla

    2012-01-01

    More stringent emissions regulations are continually being proposed to mitigate adverse human health and environmental impacts of internal combustion engines. With that in mind, it has been proposed that vehicular particulate matter (PM) emissions should be regulated based on particle number in addition to particle mass. One aspect of this project is to study different sample handling methods for number based aerosol measurements, specifically, two different methods for removing volatile organic compounds (VOCs). One method is a thermodenuder (TD) and the other is an evaporative chamber/diluter (EvCh). These sample handling methods have been implemented in an engine test cell with a spark ignited direct injection (SIDI) engine. The engine was designed for stoichiometric, homogeneous combustion. SIDI is of particular interest for improved fuel efficiency compared to other SI engines, however, the efficiency benefit comes with greater PM emissions and may therefore be subject to the proposed number based PM regulation. Another aspect of this project is to characterize PM from this engine in terms of particle number and composition.

  9. Particulate Matter Sampling and Volatile Organic Compound Removal for Characterization of Spark Ignited Direct Injection Engine Emissions

    SciTech Connect (OSTI)

    Matthias, Nicholas; Farron, Carrie; Foster, David E.; Andrie, Michael; Krieger, Roger; Najt, Paul; Narayanaswamy, Kushal; Solomon, Arun S.; Zelenyuk, Alla

    2012-01-01

    More stringent emissions regulations are continually being proposed to mitigate adverse human health and environmental impacts of internal combustion engines. With that in mind, it has been proposed that vehicular particulate matter (PM) emissions should be regulated based on particle number in addition to particle mass. One aspect of this project is to study different sample handling methods for number based aerosol measurements, specifically, two different methods for removing volatile organic compounds (VOCs). One method is a thermodenuder (TD) and the other is an evaporative chamber/diluter (EvCh). These sample handling methods have been implemented in an engine test cell with a spark ignited direct injection (SIDI) engine. The engine was designed for stoichiometric, homogeneous combustion. SIDI is of particular interest for improved fuel efficiency compared to other SI engines, however, the efficiency benefit comes with greater PM emissions and may therefore be subject to the proposed number based PM regulation. Another aspect of this project is to characterize PM from this engine in terms of particle number and composition

  10. Studies on the chemical synthesis and characterization of lead oxide nanoparticles with different organic capping agents

    SciTech Connect (OSTI)

    Arulmozhi, K. T., E-mail: arulsheelphy@gmail.com [Physics Wing (DDE), Annamalai University, Tamil Nadu, India - 608 002 (India); Mythili, N. [Department of Physics, Annamalai University, Tamil Nadu, India - 608 002 (India)] [Department of Physics, Annamalai University, Tamil Nadu, India - 608 002 (India)

    2013-12-15

    Lead oxide (PbO) nanoparticles were chemically synthesized using Lead (II) acetate as precursor. The effects of organic capping agents such as Oleic acid, Ethylene Diamine Tetra Acetic acid (EDTA) and Cetryl Tri Methyl Butoxide (CTAB) on the size and morphology of the nanoparticles were studied. Characterization techniques such as X-ray diffraction (XRD), Fourier Transform-Infrared spectroscopy (FT-IR), Photoluminescence (PL) Field Emission Scanning Electron Microscopy (FE-SEM), Energy Dispersive Spectroscopy (EDS) and Transmission Electron Microscopy (TEM) were used to analyse the prepared nanoparticles for their physical, structural and optical properties. The characterization studies reveal that the synthesized PbO nanoparticles had well defined crystalline structure and sizes in the range of 25 nm to 36 nm for capping agents used and 40 nm for pure PbO nanoparticles.

  11. Chemical and isotopic kinetics of sulfate reduction by organic matter under hydrothermal conditions

    SciTech Connect (OSTI)

    Kaiser, C.J.

    1988-01-01

    This study investigated the feasibility of nonbacterial sulfate reduction by organic matter in geologic environments. Sulfate is reduced by dextrose under acidic conditions at temperatures of 230-270 C. Reaction products include sulfide and organic-sulfur compounds; sulfite, thiosulfate and elemental sulfur were not detected. The rate law for the initial one- or two-electron reduction of sulfate at 250C is first-order in bisulfate and about one-half-order in initial dextrose concentration, and shows a very strong dependence on pH. The kinetics of sulfate reduction by fructose at 250C are virtually the same. The lack of sulfate reduction by formaldehyde, methanol, ethanol and acetic acid at 250 C indicates that the reducing power of dextrose and fructose cannot be attributed to carbonyl, carboxyl or hydroxyl functional groups. The form of the rate law for sulfate reduction by dextrose and the presence of an induction period rather suggest that the initial reduction of sulfate occurs with free radicals derived from the thermal decomposition of the hexoses or their alteration products. The inferred sulfate-reduction reaction mechanism suggest that aqueous sulfate may be reduced to sulfide in geologic environments such as deep sedimentary basins. The observed acid-catalysis of the reaction in the laboratory may be supplanted by clay-mineral catalysis in geologic environments. Sulfur isotopes are fractionated during the reduction of sulfate by dextrose under hydrothermal conditions. Computer simulations of the isotopic evolution of the experiments suggest that sulfate-sulfide isotopic exchange largely controls the isotopic composition of sulfate and sulfide. The extent of isotopic fractionation due solely to sulfate reduction thus cannot be determined from the experiments

  12. Reduced weight decontamination formulation utilizing a solid peracid compound for neutralization of chemical and biological warfare agents

    DOE Patents [OSTI]

    Tucker, Mark D. (Albuquerque, NM)

    2011-09-20

    A reduced weight decontamination formulation that utilizes a solid peracid compound (sodium borate peracetate) and a cationic surfactant (dodecyltrimethylammonium chloride) that can be packaged with all water removed. This reduces the packaged weight of the decontamination formulation by .about.80% (as compared to the "all-liquid" DF-200 formulation) and significantly lowers the logistics burden on the warfighter. Water (freshwater or saltwater) is added to the new decontamination formulation at the time of use from a local source.

  13. Process for forming a metal compound coating on a substrate

    DOE Patents [OSTI]

    Sharp, Donald J. (Albuquerque, NM); Vernon, Milton E. (Albuquerque, NM); Wright, Steven A. (Albuquerque, NM)

    1991-01-01

    A method of coating a substrate with a thin layer of a metal compound by forming a dispersion of an electrophoretically active organic colloid and a precursor of the metal compound in an electrolytic cell in which the substrate is an electrode. Upon application of an electric potential, the electrode is coated with a mixture of the organic colloid and the precursor to the metal compound, and the coated substrate is then heated in the presence of an atmosphere or vacuum to decompose the organic colloid and form a coating of either a combination of metal compound and carbon, or optionally forming a porous metal compound coating by heating to a temperature high enough to chemically react the carbon.

  14. Emission and absorption cross-sections of an Er:GaN waveguide prepared with metal organic chemical vapor deposition

    E-Print Network [OSTI]

    Wang, Q.; Dahal, R.; Feng, I. W.; Lin, J. Y.; Jiang, H. X.; Hui, Rongqing

    2011-01-01

    We repost the characterization of emission and absorption cross-sections in an erbium-doped GaN waveguide prepared by metal organic chemical vapor deposition. The emission cross-section was obtained with the Füchtbauer–Ladenburg equation based...

  15. Chemical Composition of Gas-Phase Organic Carbon Emissions from Motor Vehicles and Implications for Ozone Production

    E-Print Network [OSTI]

    Goldstein, Allen

    Chemical Composition of Gas-Phase Organic Carbon Emissions from Motor Vehicles and Implications gasoline and diesel vehicles via two methods. First we use speciated measurements of exhaust emissions from-based, single vehicle dynamometer testing, and on-road measurements in roadway tunnels.3-12 Emission factors

  16. Thermoelectric properties of lattice-matched AlInN alloy grown by metal organic chemical vapor deposition

    E-Print Network [OSTI]

    Gilchrist, James F.

    Thermoelectric properties of lattice-matched AlInN alloy grown by metal organic chemical vapor Seebeck coefficient and resistance measurement system for thermoelectric materials in the thin disk geometry Rev. Sci. Instrum. 83, 025101 (2012) High-temperature thermoelectric properties of Cu1­xInTe2

  17. ALDEHYDE AND OTHER VOLATILE ORGANIC CHEMICAL EMISSIONS IN FOUR FEMA TEMPORARY HOUSING UNITS ? FINAL REPORT

    SciTech Connect (OSTI)

    Salazar, Olivia; Maddalena, Randy L.; Russell, Marion; Sullivan, Douglas P.; Apte, Michael G.

    2008-05-04

    Four unoccupied FEMA temporary housing units (THUs) were studied to assess their indoor emissions of volatile organic compounds including formaldehyde. Measurement of whole-THU VOC and aldehyde emission factors (mu g h-1 per m2 of floor area) for each of the four THUs were made at FEMA's Purvis MS staging yard using a mass balance approach. Measurements were made in the morning, and again in the afternoon in each THU. Steady-state indoor formaldehyde concentrations ranged from 378 mu g m-3 (0.31ppm) to 632 mu g m-3 (0.52 ppm) in the AM, and from 433 mu g m-3 (0.35 ppm) to 926 mu g m-3 (0.78 ppm) in the PM. THU air exchange rates ranged from 0.15 h-1 to 0.39 h-1. A total of 45 small (approximately 0.025 m2) samples of surface material, 16 types, were collected directly from the four THUs and shipped to Lawrence Berkeley Laboratory. The material samples were analyzed for VOC and aldehyde emissions in small stainless steel chambers using a standard, accurate mass balance method. Quantification of VOCs was done via gas chromatography -- mass spectrometry and low molecular weight aldehydes via high performance liquid chromatography. Material specific emission factors (mu g h-1 per m2 of material) were quantified. Approximately 80 unique VOCs were tentatively identified in the THU field samples, of which forty-five were quantified either because of their toxicological significance or because their concentrations were high. Whole-trailer and material specific emission factors were calculated for 33 compounds. The THU emission factors and those from their component materials were compared against those measured from other types of housing and the materials used in their construction. Whole THU emission factors for most VOCs were typically similar to those from comparative housing. The three exceptions were exceptionally large emissions of formaldehyde and TMPD-DIB (a common plasticizer in vinyl products), and somewhat elevated for phenol. Of these three compounds, formaldehyde was the only one with toxicological significance at the observed concentrations. Whole THU formaldehyde emissions ranged from 173 to 266 mu g m-2 h 1 in the morning and 257 to 347 mu g m-2 h-1 in the afternoon. Median formaldehyde emissions in previously studied site-built and manufactured homes were 31 and 45 mu g m-2 h-1, respectively. Only one of the composite wood materials that was tested appeared to exceed the HUD formaldehyde emission standard (430 mu g/m2 h-1 for particleboard and 130 mu g/m2 h-1 for plywood). The high loading factor (material surface area divided by THU volume) of composite wood products in the THUs and the low fresh air exchange relative to the material surface area may be responsible for the excessive concentrations observed for some of the VOCs and formaldehyde.

  18. Transport of organic carbon from the California coast to the slope region: A study of Delta 14 C and delta 13 C signatures of organic compound classes

    E-Print Network [OSTI]

    Hwang, Jeomshik; Druffel, Ellen R. M; Komada, Tomoko

    2005-01-01

    Channel, California, in Shelf Sediment Transport: Processesthat lateral transport of OC on the California margin is an2005 Transport of organic carbon from the California coast

  19. Electron transport in naphthylamine-based organic compounds S. C. Tse, K. C. Kwok, and S. K. Soa

    E-Print Network [OSTI]

    So, Shu K.

    are organic light-emitting diodes OLEDs , thin-film transistors, solar cells, and photodetectors.1­4 Among. An organic light-emitting diode that employed NPB as the ET material was demonstrated. The electron them, OLED is now a leading contender in ultrathin, flexible, flat panel display technology. A simple

  20. Energy Reductions Due to Cosolvent Addition to Near Critical CO2 Extraction of Organic Chemicals from Water 

    E-Print Network [OSTI]

    Kingsley, G.; Moses, J. M.

    1986-01-01

    DUE TO COSOLVENT ADDITION TO NEAR CRITICAL CO EXTRACTION OF 2 . ORGANIC CHEMICALS FROM WATER GEORGE KINGSLEY, JOHN M. MOSES, CRITICAL FLUID SYSTEMS, INC. CA}lliRIDGE, MASSACHUSETTS Near-critical carbon dioxide was used in conjunction... the organic is solvated into the solvent, it must be separated fran that solvent. Once again we are faced with an energy intensive distillation. It is here that the use of con:iensed gases, also known as critical fluids, can make liquid-liquid extraction...

  1. The breakthrough time and permeation rate of three organic chemicals for selected glove combinations 

    E-Print Network [OSTI]

    Binion, Pete Edwin

    1992-01-01

    rates and breakthrough times were determined for the five different glove combinations versus three test chemicals using the Miran-lA infrared analyzer in a closed loop system. The polymers tested were natural rubber (NR), polyvinyl chloride (PVC... time and permeation rate when tested against three different challenge chemicals. PVC gloves with nitrile liners appeared to provide the most protection time against breakthrough for all three chemicals. The PVC gloves showed excellent resistance...

  2. Engineering the magnetic properties of hybrid organic-ferromagnetic interfaces by molecular chemical functionalization

    E-Print Network [OSTI]

    Lazic, Predrag

    We have performed systematic first-principles calculations to tailor the magnetic properties at a hybrid organic-ferromagnetic interface by adsorbing organic molecules containing ?(p[subscript z]) electrons onto a magnetic ...

  3. Impact of organic matrix compounds on the retention of steroid hormone estrone by a ‘loose’ nanofiltration membrane 

    E-Print Network [OSTI]

    Schäfer, Andrea; Nghiem, L. D.; Meier, Anja; Neale, Peta A.

    2010-01-01

    The impact of solute-solute interactions on retention and membrane adsorption of the micropollutant estrone was determined in the presence of surfactant sodium dodecyl sulphate (SDS), natural organic matter (NOM) and ...

  4. A method for using polyethylene passive samplers to measure polycyclic aromatic hydrocarbon chemical activity in sediments

    E-Print Network [OSTI]

    Fernandez, Loretta A. (Loretta Ana)

    2005-01-01

    In order to aid in the determination of the hazards posed by hydrophobic organic compounds (HOCs) in sediment beds, a method for the use of polyethylene (PE) sheets as passive sampling devices for measuring chemical ...

  5. Effects of polymethylmethacrylate-transfer residues on the growth of organic semiconductor molecules on chemical vapor deposited graphene

    SciTech Connect (OSTI)

    Kratzer, Markus Teichert, Christian; Bayer, Bernhard C.; Kidambi, Piran R.; Matkovi?, Aleksandar; Gaji?, Radoš; Cabrero-Vilatela, Andrea; Weatherup, Robert S.; Hofmann, Stephan

    2015-03-09

    Scalably grown and transferred graphene is a highly promising material for organic electronic applications, but controlled interfacing of graphene thereby remains a key challenge. Here, we study the growth characteristics of the important organic semiconductor molecule para-hexaphenyl (6P) on chemical vapor deposited graphene that has been transferred with polymethylmethacrylate (PMMA) onto oxidized Si wafer supports. A particular focus is on the influence of PMMA residual contamination, which we systematically reduce by H{sub 2} annealing prior to 6P deposition. We find that 6P grows in a flat-lying needle-type morphology, surprisingly independent of the level of PMMA residue and of graphene defects. Wrinkles in the graphene typically act as preferential nucleation centers. Residual PMMA does however limit the length of the resulting 6P needles by restricting molecular diffusion/attachment. We discuss the implications for organic device fabrication, with particular regard to contamination and defect tolerance.

  6. Testing of a model to estimate vapor concentration of various organic chemicals. Master's thesis

    SciTech Connect (OSTI)

    Bakalyar, S.M.

    1990-01-01

    A model developed by Dr. Parker C. Reist to predict the build-up and decay rates of vapor concentrations following a chemical spill and clean-up was tested. The chemicals tested were: acetone, butyl acetate, ethyl acetate, hexane, methylene chloride, methyl ethyl ketone, and toluene. The evaporation rates of these chemicals were determined both by prediction, using a model developed by I. Kawamura and D. Mackay, and empirically and these rates were used in the Reist model. Chamber experiments were done to measure actual building-up and decay of vapor concentrations for simulated spills and simulated clean-up.

  7. Oxidative chemical vapor deposition of semiconducting polymers and their use In organic photovoltaics

    E-Print Network [OSTI]

    Borrelli, David Christopher

    2014-01-01

    Organic photovoltaics (OPVs) have received significant interest for their potential low cost, high mechanical flexibility, and unique functionalities. OPVs employing semiconducting polymers in the photoactive layer have ...

  8. The development of a sensitive method to study volatile organic compounds in gaseous emissions of lung cancer cell lines 

    E-Print Network [OSTI]

    Maroly, Anupam

    2005-08-29

    ]. Workers exposed to tar and soot (which contains benzo[a]pyrene), such as coke oven workers, [7, 8] in concentrations exceeding those present in urban air are at increased risk of lung cancer. Occupational exposures to a number of metals, including... detection of lung cancer. Tests involved the quantitation of gaseous metabolic emissions from immortalized lung cancer cell lines in order to correlate the chemical markers to be of cancerous origin. The specific aims of the project were the study of gas...

  9. Project Profile: Hybrid Organic Silicone HTF Utilizing Endothermic Chemical Reactions for Latent Heat Storage

    Broader source: Energy.gov [DOE]

    Los Alamos National Laboratory, under an ARRA CSP Award, is developing a thermally stable, working heat transfer fluid (HTF) that is integrated with chemical reactions as a methodology to store large amounts of latent heat.

  10. Evaluation of emplacement sensors for detecting radiation and volatile organic compounds and for long-term monitoring access tubes for the BWCS

    SciTech Connect (OSTI)

    Lord, D.L.; Averill, R.H.

    1997-10-01

    This document evaluates sensors for detecting contaminants in the excavated waste generated by the Buried Waste Containment System (BWCS). The Barrier Placement Machine (BPM) removes spoils from under a landfill or plume and places it on a conveyor belt on the left and right sides of the BPM. The spoils will travel down the conveyor belts past assay monitors and be deposited on top of the site being worked. The belts are 5 ft wide and transport approximately 15 ft3 /minute of spoils. This corresponds to a 10 ft per hour BPM advance rate. With a 2 in. spoils height the belt speed would be 3.6 in. per second. The spoils being removed are expected to be {open_quotes}clean{close_quotes} (no radiation or volatile organics above background levels). To ensure that the equipment is not digging through a contaminated area, assay equipment will monitor the spoils for mg radiation and volatile organic compounds (VOCs). The radiation monitors will check for gross radiation indication. Upon detection of radiation levels above a predetermined setpoint, further evaluation will be performed to determine the isotopes present and their quantity. This will require hand held monitors and a remote monitoring station. Simultaneously, VOC monitors will monitor for predetermined volatile/semi-volatile organic compounds. A Fourier-Transform Infrared Spectrometer (FTIR) monitor is recommended for this operation. Specific site requirements and regulations will determine setpoints and operation scenarios. If VOCs are detected, the data will be collected and recorded. A flat panel display will be mounted in the BPM operator`s cab showing the radio nuclide and VOC monitoring data. As the BPM advances, a 3-in. diameter PVC tube will be placed on the bottom of the barrier slot in front of the 12 to 16-in. containment barrier being emplaced.

  11. PINS chemical identification software

    DOE Patents [OSTI]

    Caffrey, Augustine J.; Krebs, Kennth M.

    2004-09-14

    An apparatus and method for identifying a chemical compound. A neutron source delivers neutrons into the chemical compound. The nuclei of chemical elements constituting the chemical compound emit gamma rays upon interaction with the neutrons. The gamma rays are characteristic of the chemical elements constituting the chemical compound. A spectrum of the gamma rays is generated having a detection count and an energy scale. The energy scale is calibrated by comparing peaks in the spectrum to energies of pre-selected chemical elements in the spectrum. A least-squares fit completes the calibration. The chemical elements constituting the chemical compound can be readily determined, which then allows for identification of the chemical compound.

  12. Detailed Chemical Characterization of Unresolved Complex Mixtures (UCM) in Atmospheric Organics: Insights into Emission Sources, Atmospheric Processing and Secondary Organic Aerosol Formation

    E-Print Network [OSTI]

    Chan, Arthur W. H.

    2014-01-01

    Detailed Chemical Characterization of Unresolved Complex1,5,6 Berkeley, CA, USA Chemical Sciences Division, LawrenceCIRES), University of NOAA Chemical Sciences Division,

  13. Polymers via chemical vapor deposition and their application to organic photovoltaics

    E-Print Network [OSTI]

    Barr, Miles Clark

    2012-01-01

    There is emerging interest in the ability to fabricate organic photovoltaics (OPVs) on flexible, lightweight substrates, which could lower the cost of installation and enable new form factors for deployment. However, ...

  14. Oxidative and initiated chemical vapor deposition for application to organic electronics

    E-Print Network [OSTI]

    Im, Sung Gap

    2009-01-01

    Since the first discovery of polymeric conductors in 1977, the research area of "organic electronics" has grown dramatically. However, methods for forming thin films comprised solely of conductive polymers are limited by ...

  15. Methods of chemical analysis for organic waste constituents in radioactive materials: A literature review

    SciTech Connect (OSTI)

    Clauss, S.A.; Bean, R.M.

    1993-02-01

    Most of the waste generated during the production of defense materials at Hanford is presently stored in 177 underground tanks. Because of the many waste treatment processes used at Hanford, the operations conducted to move and consolidate the waste, and the long-term storage conditions at elevated temperatures and radiolytic conditions, little is known about most of the organic constituents in the tanks. Organics are a factor in the production of hydrogen from storage tank 101-SY and represent an unresolved safety question in the case of tanks containing high organic carbon content. In preparation for activities that will lead to the characterization of organic components in Hanford waste storage tanks, a thorough search of the literature has been conducted to identify those procedures that have been found useful for identifying and quantifying organic components in radioactive matrices. The information is to be used in the planning of method development activities needed to characterize the organics in tank wastes and will prevent duplication of effort in the development of needed methods.

  16. Henry's law constants for paint solvents and their implications on volatile organic compound emissions from automotive painting

    SciTech Connect (OSTI)

    Kim, B.R.; Kalis, E.M.; DeWulf, T.; Andrews, K.M.

    2000-02-01

    This paper describes experimental results of equilibrium partitioning of several significant paint solvents and formaldehyde between air and water to quantify the potential for capturing and retaining the constituents in spraybooth scrubber water during automotive painting. The compounds studied are toluene, n-butanol, methyl ethyl ketone methyl propyl ketone, methyl isobutyl ketone, methyl amyl ketone, butyl cellosolve, butyl cellosolve acetate, butyl carbitol, and n-methyl-2-pyrrolidinone. A set of field data collected at a Ford Motor Company assembly plant was also analyzed to determine whether data were consistent with the equilibrium phenomenon. The primary findings include: (a) There were more than six orders of magnitude difference in the Henry's law constants among the solvents studied. A solvent with a smaller constant is less easily stripped from water. The Henry's law constants decrease in the following order: toluene and xylenes > methyl ethyl ketone > n-butanol > butyl cellosolve acetate > butyl cellosolve > formaldehyde > butyl carbitol > n-methyl-2-pyrrolidinone. (b) Field data showed accumulation of n-methyl-2-pyrrolidinone and stable concentrations of butyl carbitol, butyl cellosolve, and n-butanol in the paint-sludge pit water during a 2-month period. Stable concentrations indicate a continuous, balanced capture and stripping of the solvents. Data were consistent with measured Henry's law constants. (c) The low Henry's law constant for formaldehyde is the result of the fact that it is hydrated when dissolved in water.

  17. Chemical Sciences Division - CSD

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

    CSD Chemical Sciences Division CSD Organization Contact List Search Other Links Research Areas Research Highlights Organization Contacts Publications Awards Employment...

  18. Ultra-narrow ferromagnetic resonance in organic-based thin films grown via low temperature chemical vapor deposition

    SciTech Connect (OSTI)

    Yu, H.; Harberts, M.; Adur, R.; Hammel, P. Chris; Johnston-Halperin, E., E-mail: ejh@physics.osu.edu, E-mail: epstein@physics.osu.edu [Department of Physics, The Ohio State University, Columbus, Ohio 43210-1117 (United States); Lu, Y. [Department of Chemistry, The Ohio State University, Columbus, Ohio 43210-1173 (United States); Epstein, A. J., E-mail: ejh@physics.osu.edu, E-mail: epstein@physics.osu.edu [Department of Physics, The Ohio State University, Columbus, Ohio 43210-1117 (United States); Department of Chemistry, The Ohio State University, Columbus, Ohio 43210-1173 (United States)

    2014-07-07

    We present the growth of thin films of the organic-based ferrimagnetic semiconductor V[TCNE]{sub x} (x???2, TCNE: tetracyanoethylene) via chemical vapor deposition. Under optimized growth conditions, we observe a significant increase in magnetic homogeneity, as evidenced by a Curie temperature above 600?K and sharp magnetization switching. Further, ferromagnetic resonance studies reveal a single resonance with full width at half maximum linewidth of 1.4?G, comparable to the narrowest lines measured in inorganic magnetic materials and in contrast to previous studies that showed multiple resonance features. These characteristics are promising for the development of high frequency electronic devices that take advantage of the unique properties of this organic-based material, such as the potential for low cost synthesis combined with low temperature and conformal deposition on a wide variety of substrates.

  19. Characterization of low-VOC latex paints: Volatile organic compound content, VOC and aldehyde emissions, and paint performance. Final report, January 1997--January 1999

    SciTech Connect (OSTI)

    Fortmann, R.; Lao, H.C.; Ng, A.; Roache, N.

    1999-04-01

    The report gives results of laboratory tests to evaluate commercially available latex paints advertised as `low-odor,` `low-VOC (volatile organic compound),` or `no-VOC.` Measurements were performed to quantify the total content of VOCs in the paints and to identify the predominant VOCs and aldehydes in the emissions following application to test substrates. The performance of the paints was evaluated and compared to that of commonly used conventional latex paints by American Society for Testing and Materials (ASTM) standard methods that measured parameters such as scrubbability, cleanability, and hiding power. The report describes the paints that were tested, the test methods, and the experimental data. Results are presented that can be used to evaluate the low-odor/low-VOC paints as alternatives to conventional latex wall paints that contain and emit higher concentrations of VOCs.

  20. Controlling charge transport in blue organic light-emitting devices by chemical functionalization of host materials

    SciTech Connect (OSTI)

    Polikarpov, Evgueni; Koech, Phillip K.; Wang, Liang; Swensen, James S.; Cosimbescu, Lelia; Rainbolt, James E.; Von Ruden, Amber L.; Gaspar, Daniel J.; Padmaperuma, Asanga B.

    2011-01-18

    Generation of white light from OLEDs for general lighting applications requires a highly efficient blue component. However, a stable and power efficient blue OLED component with simple device architecture remains a significant challenge partly due to lack of appropriate host materials. Here we report the photophysical and device properties of ambipolar host phosphine oxide based materials. In this work, we studied the effect of the structural modification made to phosphine oxide-based hosts on the charge balance. We observed significant changes in charge transport within the host occurred upon small modifications to their chemical structure. As a result, an alteration of the chemical design of these materials allows for the control of charge balance of the OLED.

  1. The Statistical Evolution of Multiple Generations of Oxidation Products in the Photochemical Aging of Chemically Reduced Organic Aerosol

    SciTech Connect (OSTI)

    Wilson, Kevin R.; Smith, Jared D.; Kessler, Sean; Kroll, Jesse H.

    2011-10-03

    The heterogeneous reaction of hydroxyl radicals (OH) with squalane and bis(2-ethylhexyl) sebacate (BES) particles are used as model systems to examine how distributions of reactionproducts evolve during the oxidation of chemically reduced organic aerosol. A kinetic model of multigenerational chemistry, which is compared to previously measured (squalane) and new(BES) experimental data, reveals that it is the statistical mixtures of different generations of oxidation products that control the average particle mass and elemental composition during thereaction. The model suggests that more highly oxidized reaction products, although initially formed with low probability, play a large role in the production of gas phase reaction products.In general, these results highlight the importance of considering atmospheric oxidation as a statistical process, further suggesting that the underlying distribution of molecules could playimportant roles in aerosol formation as well as in the evolution of key physicochemical properties such as volatility and hygroscopicity.

  2. ZnO light-emitting diode grown by plasma-assisted metal organic chemical vapor deposition

    SciTech Connect (OSTI)

    Xu, W.Z.; Ye, Z.Z.; Zeng, Y.J.; Zhu, L.P.; Zhao, B.H.; Jiang, L.; Lu, J.G.; He, H.P.; Zhang, S.B. [State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027 (China); National Renewable Energy Laboratory, Golden, Colorado 80401 (United States)

    2006-04-24

    We report a breakthrough in fabricating ZnO homojunction light-emitting diode by metal organic chemical vapor deposition. Using NO plasma, we are able to grow p-type ZnO thin films on n-type bulk ZnO substrates. The as-grown films on glass substrates show hole concentration of 10{sup 16}-10{sup 17} cm{sup -3} and mobility of 1-10 cm{sup 2} V{sup -1} s{sup -1}. Room-temperature photoluminescence spectra reveal nitrogen-related emissions. A typical ZnO homojunction shows rectifying behavior with a turn-on voltage of about 2.3 V. Electroluminescence at room temperature has been demonstrated with band-to-band emission at I=40 mA and defect-related emissions in the blue-yellow spectrum range.

  3. Volatile organic compound and particulate emission studies of AF (Air Force) paint-booth facilities. Phase 1. Final report, February-December 1987

    SciTech Connect (OSTI)

    Ayer, J.; Wolbach, D.

    1988-07-01

    This study presents the results of volatile organic compound (VOC) and particulate emission surveys performed at three Air Force painting facilities. The three facilities -- one in McClellan AFB buildings 655 and two at Travis AFB in buildings 550 and 1014 -- did not meet local VOC emission standards. The possibility of reducing these emissions with recirculation modifications and various VOC reduction and control strategies is discussed. Although VOC emissions from paint spray booths can be controlled by add-on control systems, control is expensive for present air flow rates. The use of air recirculation within the spray booth can reduce the cost of VOC emission controls by reducing the quantity of air that requires processing. Recirculation systems were designed for two of the painting facilities included in this study. In designing the systems, various criteria such as paint booth VOC concentrations and health and safety standards were considered. Add-on VOC emission-control systems that can be used in conjunction with the recirculation system are evaluated. The devices of interest are a solvent incineration system and an activated-carbon adsorption bed. The VOC removal efficiency, initial capital investment and operating costs for both of these technologies are discussed.

  4. Evaluation of innovative volatile organic compound and hazardous air-pollutant-control technologies for U. S. Air Force paint spray booths. Final report, Aug 88-Aug 89

    SciTech Connect (OSTI)

    Ritts, D.H.; Garretson, C.; Hyde, C.; Lorelli, J.; Wolbach, C.D.

    1990-10-01

    Significant quantities of volatile organic compounds (VOCs) and hazardous air pollutants are released into the atmosphere during USAF maintenance operations. Painting operations conducted in paint spray booths are major sources of these pollutants. Solvent based epoxy primers and solvent-based polyurethane coatings are typically used by the Air Force for painting aircraft and associated equipment. Solvents used in these paints include methyl ethyl ketone (MEK), toluene, lacquer thinner, and other solvents involved in painting and component cleaning. In this report, carbon paper adsorption/catalytic incineration (CPACI) and fluidized-bed catalytic incineration (FBCI) were evaluated as control technologies to destroy VOC emissions from paint spray booths. Simultaneous testing of pilot-scale units was performed to evaluate the technical performance of both technologies. Results showed that each technology maintained greater than 99 percent Destruction and Removal Efficiencies (DREs). Particulate emissions from both pilot-scale units were less than 0.08 grains/dry standard cubic foot. Emissions of the criteria pollutants--sulfur oxides, nitrogen oxides, and carbon monoxide--were also below general regulatory standards for incinerators. Economic evaluations were based on a compilation of manufacturer-supplied data and energy consuption data gathered during the pilot scale testing. CPACM and FBCI technologies are less expensive than standard VOC control technologies when net present costs for a 15-year equipment life are compared.

  5. Polymorphism in small organic compounds 

    E-Print Network [OSTI]

    Budd, Laura Elizabeth

    2010-01-01

    The effect of temperature on the crystal structure of deuterated piperidine has been studied using neutron powder diffraction. Differential scanning calorimetry indicates that there are multiple phases accessible via ...

  6. ARM - Measurement - Volatile organic compounds

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Comments?govInstrumentsnoaacrnBarrow, Alaska Outreach Homepolarization ARMtotalgovMeasurementsVisibility ARM

  7. Hyperpolarizable compounds and devices fabricated therefrom

    DOE Patents [OSTI]

    Therien, Michael J. (Philadelphia, PA); DiMagno, Stephen G. (Lincoln, NE)

    1998-01-01

    Substituted compounds having relatively large molecular first order hyperpolarizabilities are provided, along with devices and materials containing them. In general, the compounds bear electron-donating and electron-withdrawing chemical substituents on a polyheterocyclic core.

  8. Hyperpolarizable compounds and devices fabricated therefrom

    DOE Patents [OSTI]

    Therien, M.J.; DiMagno, S.G.

    1998-07-21

    Substituted compounds having relatively large molecular first order hyperpolarizabilities are provided, along with devices and materials containing them. In general, the compounds bear electron-donating and electron-withdrawing chemical substituents on a polyheterocyclic core. 13 figs.

  9. Observations of Diurnal to Weekly Variations of Monoterpene-Dominated Fluxes of Volatile Organic Compounds from Mediterranean Forests: Implications for Regional Modeling

    SciTech Connect (OSTI)

    Fares, Silvano; Schnitzhofer, Ralf; Xiaoyan, Jiang; Guenther, Alex B.; Hansel, Armin; Loreto, Francesco

    2013-09-04

    Most vascular plants species, especially trees, emit biogenic volatile organic compounds (BVOC). Global estimates of BVOC emissions from plants range from 1 to 1.5 Pg C yr?1.1 Mediterranean forest trees have been described as high BVOC emitters, with emission depending primarily on light and temperature, and therefore being promoted by the warm Mediterranean climate. In the presence of sufficient sunlight and nitrogen oxides (NOx), the oxidation of BVOCs can lead to the formation of tropospheric ozone, a greenhouse gas with detrimental effects on plant health, crop yields, and human health. BVOCs are also precursors for aerosol formation, accounting for a significant fraction of secondary organic aerosol (SOA) produced in the atmosphere. The presidential Estate of Castelporziano covers an area of about 6000 ha located 25 km SW from the center of Rome, Italy (Figure 1) and hosts representative forest ecosystems typical of Mediterranean areas: holm oak forests, pine forests, dune vegetation, mixed oak and pine forests. Between 1995 and 2011, three intensive field campaigns were carried out on Mediterranean-type ecosystems inside the Estate. These campaigns were aimed at measuring BVOC emissions and environmental parameters, to improve formulation of basal emission factors (BEFs), that is, standardized emissions at 30 °C and 1000 ?mol m?2s?1 of photosynthetic active radiation (PAR). BEFs are key input parameters of emission models. The first campaign in Castelporziano was a pioneering integrated study on biogenic emissions (1993? 19964). BVOC fluxes from different forest ecosystems were mainly investigated using plant- and leaf enclosures connected to adsorption tubes followed by GC?MS analysis in the laboratory. This allowed a first screening of Mediterranean species with respect to their BVOC emission potential, environmental control, and emission algorithms. In particular, deciduous oak species revealed high isoprene emissions (Quercus f rainetto, Quercus petrea, Quercus pubescens), while evergreen oaks emitted monoterpenes only, for example, Quercus ilex = holm oak. Differences in constitutive emission patterns discovered in Castelporziano supplied basic information to discriminate oak biodiversity in following studies.Ten years later, a second experimental campaign took place in spring and summer 2007 on a dune-shrubland experimental site. In this campaign, the use of a proton transfer reaction mass spectrometer (PTR-MS14) provided the fast BVOC observations necessary for quasi-real-time flux measurements using Disjunct Eddy Covariance. This allowed for the first time continuous measurements and BEFs calculation at canopy level. Finally, in September 2011 a third campaign was performed with the aim of further characterizing and improving estimates of BVOC fluxes from mixed Mediterranean forests dominated by a mixed holm oak and stone pine forest, using for the first time a proton transfer reaction?time-of-flight?mass spectrometer (PTR-TOF-MS). In contrast to the standard quadrupole PTR-MS, which can only measure one m/z ratio at a discrete time, thus being inadequate to quantify fluxes of more than a handful of compounds simultaneously, PTR-TOF-MS allowed simultaneous measurements (10 Hz) of fluxes of all BVOCs at the canopy level by Eddy Covariance.17?20, 50 In this work, we reviewed BEFs from previous campaigns in Castelporziano and calculated new BEFs from the campaign based on PTR-TOF-MS analysis. The new BEFs were used to parametrize the model of emissions of gases and aerosols from nature (MEGAN v2.11).

  10. Crystal structure and chemical bonding of novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16}

    SciTech Connect (OSTI)

    Jung, Yaho; Nam, Gnu; Jeon, Jieun; Kim, Youngjo; You, Tae-Soo

    2012-12-15

    A novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16} has been synthesized using the high-temperature reaction method and characterized by both powder and single-crystal X-ray diffractions. The title compound crystallized in the orthorhombic crystal system (space group Immm, Z=2, Pearson symbol oI78) with fifteen crystallographically unique atomic positions in the asymmetric unit, and the lattice parameters are refined as a=4.5244(4) A, b=6.9932(6) A, and c=53.043(5) A. The complex crystal structure of the title compound can be described as a 2:1 intergrowth of two closely related compounds: La{sub 2}Li{sub 2}Ge{sub 3} (Ce{sub 2}Li{sub 2}Ge{sub 3}-type) and La{sub 3}Li{sub 4}Ge{sub 4} (Zr{sub 3}Cu{sub 4}Si{sub 4}-type) acting like 'building-blocks' along the c-axis. Six La sites are categorized into three distinct types based on the local coordination environment showing the coordination numbers of 12-14. Three unique Li sites are placed in the centers of local tetrahedra formed by four Ge atoms which eventually construct Ge{sub 2} dimers or 1-dimensional cis-/trans-Ge chains. Theoretical investigations using the tight-binding linear muffin-tin orbital (LMTO) method provide rationales for an improved structural stability and for unique local coordination geometries established by anionic elements including [LiGe{sub 4}] tetrahedra, cis-/trans-Ge chain and Ge{sub 2} dimers. - Graphical abstract: Reported is a novel ternary Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16}. The complex crystal structure can be viewed as a simple combination of two closely related known compounds acting as 'building-blocks', La{sub 2}Li{sub 2}G{sub 3} and La{sub 3}Li{sub 4}Ge{sub 4}, in a 2:1 stoichiometric ratio. Highlights: Black-Right-Pointing-Pointer A novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16} was synthesized. Black-Right-Pointing-Pointer The complex crystal structure was easily explained as a combination of two known compounds. Black-Right-Pointing-Pointer Theoretical calculations indicated that the Fermi level was located near the pseudogap.

  11. Measurements of volatile organic compounds at a suburban ground site (T1) in Mexico City during the MILAGRO 2006 campaign: Measurement comparison, emission ratios, and source attribution

    SciTech Connect (OSTI)

    Bon, D.M.; Springston, S.; M.Ulbrich, I.; de Gouw, J. A.; Warneke, C.; Kuster, W. C.; Alexander, M. L.; Baker, A.; Beyersdorf, A. J.; Blake, D.; Fall, R.; Jimenez, J. L., Herndon, S. C.; Huey, L. G.; Knighton, W. B.; Ortega, J.; Vargas, O.

    2011-03-16

    Volatile organic compound (VOC) mixing ratios were measured with two different instruments at the T1 ground site in Mexico City during the Megacity Initiative: Local and Global Research Observations (MILAGRO) campaign in March of 2006. A gas chromatograph with flame ionization detector (GC-FID) quantified 18 light alkanes, alkenes and acetylene while a proton-transfer-reaction ion-trap mass spectrometer (PIT-MS) quantified 12 VOC species including oxygenated VOCs (OVOCs) and aromatics. A GC separation system was used in conjunction with the PIT-MS (GC-PIT-MS) to evaluate PIT-MS measurements and to aid in the identification of unknown VOCs. The VOC measurements are also compared to simultaneous canister samples and to two independent proton-transfer-reaction mass spectrometers (PTR-MS) deployed on a mobile and an airborne platform during MILAGRO. VOC diurnal cycles demonstrate the large influence of vehicle traffic and liquid propane gas (LPG) emissions during the night and photochemical processing during the afternoon. Emission ratios for VOCs and OVOCs relative to CO are derived from early-morning measurements. Average emission ratios for non-oxygenated species relative to CO are on average a factor of {approx}2 higher than measured for US cities. Emission ratios for OVOCs are estimated and compared to literature values the northeastern US and to tunnel studies in California. Positive matrix factorization analysis (PMF) is used to provide insight into VOC sources and processing. Three PMF factors were distinguished by the analysis including the emissions from vehicles, the use of liquid propane gas and the production of secondary VOCs + long-lived species. Emission ratios to CO calculated from the results of PMF analysis are compared to emission ratios calculated directly from measurements. The total PIT-MS signal is summed to estimate the fraction of identified versus unidentified VOC species.

  12. In situ metal-organic chemical vapor deposition atomic-layer deposition of aluminum oxide on GaAs using trimethyaluminum

    E-Print Network [OSTI]

    In situ metal-organic chemical vapor deposition atomic-layer deposition of aluminum oxide on Ga 26 June 2008; published online 21 July 2008 In situ atomic-layer deposition ALD of Al2O3 on p­4 Recently, many ex situ methods such as atomic-layer deposition ALD of high-k on GaAs have achieved success

  13. Polyethylene passive samplers for measuring hydrophobic organic chemical concentrations in sediment porewaters and their use in predicting bioaccumulation in soft-shell clams (Mya arenaria) from sites near Boston, MA

    E-Print Network [OSTI]

    Fernandez, Loretta A. (Loretta Ana)

    2010-01-01

    In order to determine the hazards posed by hydrophobic organic compounds (HOCs) in sediment beds, the following areas of research were explored: (1) the use of polyethylene (PE) sheets as passive sampling devices in ...

  14. Polybenzimidazole compounds

    DOE Patents [OSTI]

    Klaehn, John R. (Idaho Falls, ID); Peterson, Eric S. (Idaho Falls, ID); Orme, Christopher J. (Shelley, ID); Jones, Michael G. (Chubbuck, ID); Wertsching, Alan K. (Idaho Falls, ID); Luther, Thomas A. (Idaho Falls, ID); Trowbridge, Tammy L. (Idaho Falls, ID)

    2011-11-22

    A PBI compound includes imidazole nitrogens at least a portion of which are substituted with a moiety containing a carbonyl group, the substituted imidazole nitrogens being bonded to carbon of the carbonyl group. At least 85% of the nitrogens may be substituted. The carbonyl-containing moiety may include RCO--, where R is alkoxy or haloalkyl. The PBI compound may exhibit a first temperature marking an onset of weight loss corresponding to reversion of the substituted PBI that is less than a second temperature marking an onset of decomposition of an otherwise identical PBI compound without the substituted moiety. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may use more than 5 equivalents in relation to the imidazole nitrogens to be substituted.

  15. Mild hydrocracking of an unstable feedstock in a three-phase fluidized-bed reactor; Behavior of the process and of the chemical compounds

    SciTech Connect (OSTI)

    Souza, G.L.M.; Afonso, J.C.; Schmal, M.; Cordoso, J.N. (Universidade Federal, Rio de Janeiro, RJ (Brazil))

    1992-09-01

    The mild hydrocracking (400[degrees]C, 125 atm) of an unstable feedstock (shale oil) was performed in a three-phase fluidized-bed reactor with a commercial sulfided Ni-Mo catalyst. The hydroprocessing was monitored with respect to the physicochemical properties and the chemical composition of the natural and treated oil. The unit attained steady state after 36 h on stream for almost all parameters (viscosity, density, conversion, selectivity, etc.). Chemical composition data of the feedstock and the treated oil were, in general, in good agreement with the physicochemical characterizations. In this paper the mild hydrocracking in a three-phase fluidized-bed reactor is shown to be an alternative process for the treatment of unstable feedstocks.

  16. Effect of oxidant concentration, exposure time, and seed particles on secondary organic aerosol chemical composition and yield

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

    Lambe, A. T.; Chhabra, P. S.; Onasch, T. B.; Brune, W. H.; Hunter, J. F.; Kroll, J. H.; Cummings, M. J.; Brogan, J. F.; Parmar, Y.; Worsnop, D. R.; et al

    2015-03-18

    We performed a systematic intercomparison study of the chemistry and yields of secondary organic aerosol (SOA) generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous flow reactor and several environmental chambers. In the flow reactor, SOA precursors were oxidized using OH concentrations ranging from 2.0 × 108 to 2.2 × 1010 molec cm-3 over exposure times of 100 s. In the environmental chambers, precursors were oxidized using OH concentrations ranging from 2 × 106 to 2 × 107 molec cm-3 over exposure times of several hours. The OH concentration in themore »chamber experiments is close to that found in the atmosphere, but the integrated OH exposure in the flow reactor can simulate atmospheric exposure times of multiple days compared to chamber exposure times of only a day or so. In most cases, for a specific SOA type the most-oxidized chamber SOA and the least-oxidized flow reactor SOA have similar mass spectra, oxygen-to-carbon and hydrogen-to-carbon ratios, and carbon oxidation states at integrated OH exposures between approximately 1 × 1011 and 2 × 1011 molec cm-3 s, or about 1–2 days of equivalent atmospheric oxidation. This observation suggests that in the range of available OH exposure overlap for the flow reactor and chambers, SOA elemental composition as measured by an aerosol mass spectrometer is similar whether the precursor is exposed to low OH concentrations over long exposure times or high OH concentrations over short exposure times. This similarity in turn suggests that both in the flow reactor and in chambers, SOA chemical composition at low OH exposure is governed primarily by gas-phase OH oxidation of the precursors rather than heterogeneous oxidation of the condensed particles. In general, SOA yields measured in the flow reactor are lower than measured in chambers for the range of equivalent OH exposures that can be measured in both the flow reactor and chambers. The influence of sulfate seed particles on isoprene SOA yield measurements was examined in the flow reactor. The studies show that seed particles increase the yield of SOA produced in flow reactors by a factor of 3 to 5 and may also account in part for higher SOA yields obtained in the chambers, where seed particles are routinely used.« less

  17. Radionuclides, inorganic constituents, organic compounds, and bacteria in water from selected wells and springs from the southern boundary of the Idaho National Engineering Laboratory to the Hagerman Area, Idaho, 1990

    SciTech Connect (OSTI)

    Bartholomay, R.C.; Edwards, D.D. [Geological Survey, Idaho Falls, ID (United States); Campbell, L.J. [State of Idaho, Dept. of Water Resources (United States)

    1992-03-01

    The US Geological Survey and the Idaho Department of Water Resources, in response to a request from the US Department of Energy, sampled 19 sites as part of a long-term project to monitor water quality of the Snake River Plain aquifer from the southern boundary of the Idaho National Engineering Laboratory to the Hagerman area. Water samples were collected and analyzed for manmade pollutants and naturally occurring constituents. The samples were collected from seven irrigation wells, five domestic wells, two springs, one stock well, two dairy wells, one observation well, and one commercial well. Two quality assurance samples also were collected and analyzed. The water samples were analyzed for selected radionuclides, inorganic constituents, organic compounds, and bacteria. None of the radionuclides, inorganic constituents, or organic compounds exceeded the established maximum contaminant levels for drinking water. Most of the radionuclide and inorganic constituent concentrations exceeded their respective reporting levels. All samples analyzed for surfactants and dissolved organic carbon had concentrations that exceeded their reporting level. Toluene concentrations exceeded the reporting level in one water sample. Two samples contained fecal coliform bacteria counts that exceeded established maximum contaminant levels for drinking water.

  18. Supplementary Material for: A Comparison of the chemical sinks of atmospheric organics in the gas and aqueous

    E-Print Network [OSTI]

    Nizkorodov, Sergey

    panel: daytime OH conditions with LWC = 0.5 g m-3 . Upper right panel: nighttime OH conditions with LWC = 0.5 g m-3 . Lower left panel: daytime OH conditions with LWC = 0.001 g m-3 . Upper right panel photolysis, Y, as a function of solar zenith angle and altitude for compounds where the absorption cross

  19. Installation and Operation of Sorbathene Solvent Vapor Recovery Units to Recover and Recycle Volatile Organic Compounds at Operating Sites within the Dow Chemical Company 

    E-Print Network [OSTI]

    Hall, T. L.; Larrinaga, L.

    1994-01-01

    hydrocarbons, chlorofluorocarbons (CFC's), chlorinated solvents, aromatics, and monomers. SORBATHENE units are now meeting air permit requirements for the abatement of VOC's such as benzene, acetone, trichloroethylene, trichlorofluoromethane, carbon...

  20. Chemical and Nutritional Ecology of Lucilia sericata (Meigen) (Diptera: Calliphoridae) as Related to Volatile Organic Compounds and Associated Essential Amino Acids 

    E-Print Network [OSTI]

    Liu, Wenqi

    2014-08-07

    are the origin of MVOC. Four bacterially produced VOCs, namely DMDS (Dimethyl disulfide), indole, PAA (Phenylacetic acid), and isobutylamine, which are associated with decomposing carrion were used to investigate the olfactory response of L. sericata of different...

  1. Effect of oxidant concentration, exposure time, and seed particles on secondary organic aerosol chemical composition and yield

    E-Print Network [OSTI]

    Lambe, A. T.

    We performed a systematic intercomparison study of the chemistry and yields of secondary organic aerosol (SOA) generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous ...

  2. Chemical inducible promoter used to obtain transgenic plants with a silent marker and organisms and cells and methods of using same for screening for mutations

    DOE Patents [OSTI]

    Zuo, Jianru (New York, NY); Chua, Nam-Hai (Scarsdale, NY)

    2007-06-12

    Disclosed is a chemically inducible promoter for transforming plants or plant cells with genes which are regulatable by adding the plants or cells to a medium containing an inducer or by removing them from such medium. The promoter is inducible by a glucocorticoid, estrogen or inducer not endogenous to plants. Such promoters may be used with any plant genes that can promote shoot regeneration and development to induce shoot formation in the presence of a glucocorticoid, estrogen or inducer. The promoter may be used with antibiotic or herbicide resistance genes or other genes which are regulatable by the presence or absence of a given inducer. Also presented are organisms or cells comprising a gene wherein the natural promoter of the gene is disrupted and the gene is placed under the control of a transgenic inducible promoter. These organisms and cells and their progeny are useful for screening for conditional gain of function and loss of function mutations.

  3. Methyl tert-butyl ether (MTBE) is a volatile organic com-pound (VOC) derived from natural gas that is added to gas-

    E-Print Network [OSTI]

    Methyl tert-butyl ether (MTBE) is a volatile organic com- pound (VOC) derived from natural gas Water in Urban and Agricultural Areas made from methanol, which is derived primarily from natural gas that is added to gas- oline either seasonally or year round in many parts of the United States to increase

  4. Assigning Oxidation States to Organic Compounds via Predictions from X-ray Photoelectron Spectroscopy: A Discussion of Approaches and Recommended Improvements

    SciTech Connect (OSTI)

    Gupta, Vipul; Ganegoda, Hasitha; Engelhard, Mark H.; Terry, Jeff H.; Linford, Matthew R.

    2014-02-11

    The traditional assignment of oxidation numbers to organic molecules is problematic. Accordingly, in 1999, Calzaferri proposed a simple and elegant solution that is based on the similar electronegativities of carbon and hydrogen: hydrogen would be assigned an oxidation number of zero when bonded to carbon. Here we show that X-ray photoelectron spectroscopy (XPS), a core electron spectroscopy that is sensitive to oxidation states of elements, confirms his suggestion. In particular, in this work we: (i) list the typical rules for assigning oxidation numbers, (ii) discuss the traditional assignment of oxidation numbers to organic molecules, (iii) review Calzaferri’s solution, (iv) introduce X-ray photoelectron spectroscopy (XPS), (v) show the consistency of Calzaferri’s suggestion with XPS results, (vi) provide supporting examples from the literature, (vii) provide examples from our own research, and (viii) further confirm the Calzaferri suggestion/photoelectron spectroscopy results by discussing two organic well-known reactions. We end by reechoing Calzaferri’s suggestion that the traditional rules for assigning oxidation numbers to organic molecules be modified.

  5. Titanium alkoxide compound

    DOE Patents [OSTI]

    Boyle, Timothy J. (Albuquerque, NM)

    2007-08-14

    A titanium alkoxide composition is provided, as represented by the chemical formula (OC.sub.6H.sub.5N).sub.2Ti(OC.sub.6H.sub.5NH.sub.2).sub.2. As prepared, the compound is a crystalline substance with a hexavalent titanium atom bonded to two OC.sub.6H.sub.5NH.sub.2 groups and two OC.sub.6H.sub.5N groups with a theoretical molecular weight of 480.38, comprising 60.01% C, 5.04% H and 11.66% N.

  6. Published: November 03, 2011 r 2011 American Chemical Society 1196 dx.doi.org/10.1021/ac201338x |Anal. Chem. 2012, 84, 11961201

    E-Print Network [OSTI]

    materials where road dust and black carbon soot are the most common. Secondary organic aerosols (SOA is that these aerosols contain a high mass fraction (10Ŕ90%) of organic compounds.3,4 In addition to chemical composition such as smoking, cooking activities, and burning food are significant sources of indoor particles as are particles

  7. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-04-21

    [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} has been studied by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and impedance spectroscopy. The [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} hybrid compound is crystallized at room temperature (T ? 300?K) in the orthorhombic system with Pnma space group. Five phase transitions (T{sub 1}?=?255?K, T{sub 2}?=?282?K, T{sub 3}?=?302?K, T{sub 4}?=?320?K, and T{sub 5}?=?346?K) have been proved by DSC measurements. The electrical technique was measured in the 10{sup ?1}-10{sup 7}?Hz frequency range and 233–363?K temperature interval. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law. The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} is analyzed by different processes, which can be attributed to several models: the correlated barrier hopping model in phase I, the overlapping large polaron tunneling model in phase II, the quantum mechanical tunneling model in phase IV, and the non-overlapping small polaron tunneling model in phases III, V, and VI. The conduction mechanism is studied with the help of Elliot's theory, and the Elliot's parameters are determined.

  8. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4}

    SciTech Connect (OSTI)

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-05-28

    The [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} single crystal has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and electrical impedance spectroscopy. [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} crystallizes at room temperature in the monoclinic system with P2{sub 1}/{sub C} space group. Three phase transitions at T{sub 1}?=?226?K, T{sub 2}?=?264?K, and T{sub 3}?=?297?K have been evidenced by DSC measurements. The electrical technique was measured in the 10{sup ?1}–10{sup 7}?Hz frequency range and 203–313?K temperature intervals. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law (developed). The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} compound is studied by two processes which can be attributed to a hopping transport mechanism: the correlated barrier hopping model in phases I, II, and III, the non-overlapping small polaron tunneling model in phase IV. The conduction mechanism is interpreted with the help of Elliot's theory, and the Elliot's parameters are found.

  9. Boreal forest fire emissions in fresh Canadian smoke plumes: C1-C10 volatile organic compounds (VOCs), CO2, CO, NO2, NO, HCN and CH3CN

    E-Print Network [OSTI]

    2011-01-01

    containing compounds carbonyl sulfide (OCS) and dimethyl1,2-Dichloroethane Carbonyl sulfide Dimethyl sulfide

  10. High mobility single-crystalline-like GaAs thin films on inexpensive flexible metal substrates by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Dutta, P. Rathi, M.; Gao, Y.; Yao, Y.; Selvamanickam, V.; Zheng, N.; Ahrenkiel, P.; Martinez, J.

    2014-09-01

    We demonstrate heteroepitaxial growth of single-crystalline-like n and p-type doped GaAs thin films on inexpensive, flexible, and light-weight metal foils by metal-organic chemical vapor deposition. Single-crystalline-like Ge thin film on biaxially textured templates made by ion beam assisted deposition on metal foil served as the epitaxy enabling substrate for GaAs growth. The GaAs films exhibited strong (004) preferred orientation, sharp in-plane texture, low grain misorientation, strong photoluminescence, and a defect density of ?10{sup 7?}cm{sup ?2}. Furthermore, the GaAs films exhibited hole and electron mobilities as high as 66 and 300?cm{sup 2}/V-s, respectively. High mobility single-crystalline-like GaAs thin films on inexpensive metal substrates can pave the path for roll-to-roll manufacturing of flexible III-V solar cells for the mainstream photovoltaics market.

  11. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, A.; Michalske, T.A.; Smith, W.L.

    1998-04-07

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating. 11 figs.

  12. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, Alexis (Albuquerque, NM); Michalske, Terry Arthur (Cedar Crest, NM); Smith, William Larry (Albuquerque, NM)

    1999-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditons. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  13. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, Alexis (Albuquerque, NM); Michalske, Terry Arthur (Bernalillo, NM); Smith, William Larry (Albuquerque, NM)

    1999-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  14. Chemical treatment for silica-containing glass surfaces

    DOE Patents [OSTI]

    Grabbe, Alexis (Albuquerque, NM); Michalske, Terry Arthur (Cedar Crest, NM); Smith, William Larry (Albuquerque, NM)

    1998-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  15. Method for chemical surface modification of fumed silica particles

    DOE Patents [OSTI]

    Grabbe, Alexis (Albuquerque, NM); Michalske, Terry Arthur (Cedar Crest, NM); Smith, William Larry (Albuquerque, NM)

    1999-01-01

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating.

  16. Method for chemical surface modification of fumed silica particles

    DOE Patents [OSTI]

    Grabbe, A.; Michalske, T.A.; Smith, W.L.

    1999-05-11

    Dehydroxylated, silica-containing, glass surfaces are known to be at least partially terminated by strained siloxane rings. According to the invention, a surface of this kind is exposed to a selected silane compound or mixture of silane compounds under reaction-promoting conditions. The ensuing reaction results in opening of the strained siloxane rings, and termination of surface atoms by chemical species, such as organic or organosilicon species, having desirable properties. These species can be chosen to provide qualities such as hydrophobicity, or improved coupling to a polymeric coating. 11 figs.

  17. Removal of organic and inorganic sulfur from Ohio coal by combined physical and chemical process. Final report

    SciTech Connect (OSTI)

    Attia, Y.A.; Zeky, M.El.; Lei, W.W.; Bavarian, F.; Yu, S.

    1989-04-28

    This project consisted of three sections. In the first part, the physical cleaning of Ohio coal by selective flocculation of ultrafine slurry was considered. In the second part, the mild oxidation process for removal of pyritic and organic sulfur.was investigated. Finally, in-the third part, the combined effects of these processes were studied. The physical cleaning and desulfurization of Ohio coal was achieved using selective flocculation of ultrafine coal slurry in conjunction with froth flotation as flocs separation method. The finely disseminated pyrite particles in Ohio coals, in particular Pittsburgh No.8 seam, make it necessary to use ultrafine ({minus}500 mesh) grinding to liberate the pyrite particles. Experiments were performed to identify the ``optimum`` operating conditions for selective flocculation process. The results indicated that the use of a totally hydrophobic flocculant (FR-7A) yielded the lowest levels of mineral matters and total sulfur contents. The use of a selective dispersant (PAAX) increased the rejection of pyritic sulfur further. In addition, different methods of floc separation techniques were tested. It was found that froth flotation system was the most efficient method for separation of small coal flocs.

  18. Partitioning of Volatile Organics in Diesel Particulate and Exhaust

    Office of Energy Efficiency and Renewable Energy (EERE)

    Evaluation of how sampling details affect the measurement of volatile organic compounds in diesel exhaust

  19. Hanford Site organic waste tanks: History, waste properties, and scientific issues

    SciTech Connect (OSTI)

    Strachan, D.M.; Schulz, W.W.; Reynolds, D.A.

    1993-01-01

    Eight Hanford single-shell waste tanks are included on a safety watch list because they are thought to contain significant concentrations of various organic chemical. Potential dangers associated with the waste in these tanks include exothermic reaction, combustion, and release of hazardous vapors. In all eight tanks the measured waste temperatures are in the range 16 to 46[degree]C, far below the 250 to 380[degree]C temperatures necessary for onset of rapid exothermic reactions and initiation of deflagration. Investigation of the possibility of vapor release from Tank C-103 has been elevated to a top safety priority. There is a need to obtain an adequate number of truly representative vapor samples and for highly sensitive and capable methods and instruments to analyze these samples. Remaining scientific issues include: an understanding of the behavior and reaction of organic compounds in existing underground tank environments knowledge of the types and amounts of organic compounds in the tanks knowledge of selected physical and chemical properties of organic compounds source, composition, quality, and properties of the presently unidentified volatile organic compound(s) apparently evolving from Tank C-103.

  20. Hanford Site organic waste tanks: History, waste properties, and scientific issues. Hanford Tank Safety Project

    SciTech Connect (OSTI)

    Strachan, D.M.; Schulz, W.W.; Reynolds, D.A.

    1993-01-01

    Eight Hanford single-shell waste tanks are included on a safety watch list because they are thought to contain significant concentrations of various organic chemical. Potential dangers associated with the waste in these tanks include exothermic reaction, combustion, and release of hazardous vapors. In all eight tanks the measured waste temperatures are in the range 16 to 46{degree}C, far below the 250 to 380{degree}C temperatures necessary for onset of rapid exothermic reactions and initiation of deflagration. Investigation of the possibility of vapor release from Tank C-103 has been elevated to a top safety priority. There is a need to obtain an adequate number of truly representative vapor samples and for highly sensitive and capable methods and instruments to analyze these samples. Remaining scientific issues include: an understanding of the behavior and reaction of organic compounds in existing underground tank environments knowledge of the types and amounts of organic compounds in the tanks knowledge of selected physical and chemical properties of organic compounds source, composition, quality, and properties of the presently unidentified volatile organic compound(s) apparently evolving from Tank C-103.

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

    E-Print Network [OSTI]

    Findley, Gary L.

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

  2. Low-temperature growth and orientational control in RuO{sub 2} thin films by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Bai, G.R.; Wang, A.; Foster, C.M.; Vetrone, J.; Patel, J.; Wu, X.

    1996-08-01

    For growth temperatures in the range of 275 C to 425 C, highly conductive RuO{sub 2} thin films with either (110)- or (101)-textured orientations have been grown by metal-organic chemical vapor deposition (MOCVD) on both SiO{sub 2}/Si(001) and Pt/Ti/SiO{sub 2}/Si(001) substrates. Both the growth temperature and growth rate were used to control the type and degree of orientational texture of the RuO{sub 2} films. In the upper part of this growth temperature range ({approximately} 350 C) and at a low growth rate (< 30 {angstrom}/min.), the RuO{sub 2} films favored a (110)-textured. In contrast, at the lower part of this growth temperature range ({approximately} 300 C) and at a high growth rate (> 30 {angstrom}/min.), the RuO{sub 2} films favored a (101)-textured. In contrast, a higher growth temperatures (> 425 C) always produced randomly-oriented polycrystalline films. For either of these low-temperature growth processes, the films produced were crack-free, well-adhered to the substrates, and had smooth, specular surfaces. Atomic force microscopy showed that the films had a dense microstructure with an average grain size of 50--80 nm and a rms. surface roughness of {approximately} 3--10 nm. Four-probe electrical transport measurements showed that the films were highly conductive with resistivities of 34--40 {micro}{Omega}-cm ({at} 25 C).

  3. Volatile Organic Compound Detection Using Nanostructured Copolymers

    E-Print Network [OSTI]

    Weiss, Lee E.

    conductivity of these copolymers increased or decreased depending upon the polymer composition and the specific,3-6 conductive poly- mers (CPs),7-12 and carbon black-polymer composites.13,14 Metal oxide materials Carbon black-polymer composites have also attracted a lot of research interest as a promising sensing

  4. Oxidation of Organic Compounds in the Soil. 

    E-Print Network [OSTI]

    Fraps, G. S. (George Stronach)

    1915-01-01

    aerated. It is known, for example, that nitrification in a liquid culture is not the same as nitrification in the soil. Cottonseed meal will putrefy in soil in flaslcs stopperecl with cotton wool, while in glass jars, the same mixture will nitrifv. A... cnpaciiy. The nitrif-ing capac- it" the oxidatioa capacity 'and the capacit~ of the soil to convert am- monia into nitrates and ammonia are to a certain extent related, espe- . cially the t-ro latter. They are not necessarily the same in the same soils...

  5. Fluorescence based chemical sensors for corrosion detection

    SciTech Connect (OSTI)

    Johnson, R.E.; Agarwala, V.S.

    1997-12-01

    Several fluorescent materials have been identified as possible corrosion sensing coatings. These are either redox or metal ion complex materials. The redox materials are nonfluorescent in the reduced state and become fluorescent upon oxidation. Incorporated into paint coatings, they provide an early warning of corrosive conditions at the metal or alloy surface. The metal ion complex materials only fluoresce when the organic compound complexes with metal ions such as those generated in corrosion reactions. Fluorescent materials have been incorporated into paint coatings and on metal surfaces for the detection of corrosion. Oxine reacts with aluminum oxide on corroded aluminum to give a fluorescence that can be photographed in UV light. Several other materials were found to have good fluorescence but cannot be reversibly oxidized or reduced at the present time. More work will be done with these compounds as well as with Schiff bases to develop new fluorescent chemical sensing materials for smart coating on alloy surfaces.

  6. Quantitative genetic activity graphical profiles for use in chemical evaluation

    SciTech Connect (OSTI)

    Waters, M.D.; Stack, H.F.; Garrett, N.E.; Jackson, M.A.

    1990-12-31

    A graphic approach, terms a Genetic Activity Profile (GAP), was developed to display a matrix of data on the genetic and related effects of selected chemical agents. The profiles provide a visual overview of the quantitative (doses) and qualitative (test results) data for each chemical. Either the lowest effective dose or highest ineffective dose is recorded for each agent and bioassay. Up to 200 different test systems are represented across the GAP. Bioassay systems are organized according to the phylogeny of the test organisms and the end points of genetic activity. The methodology for producing and evaluating genetic activity profile was developed in collaboration with the International Agency for Research on Cancer (IARC). Data on individual chemicals were compiles by IARC and by the US Environmental Protection Agency (EPA). Data are available on 343 compounds selected from volumes 1-53 of the IARC Monographs and on 115 compounds identified as Superfund Priority Substances. Software to display the GAPs on an IBM-compatible personal computer is available from the authors. Structurally similar compounds frequently display qualitatively and quantitatively similar profiles of genetic activity. Through examination of the patterns of GAPs of pairs and groups of chemicals, it is possible to make more informed decisions regarding the selection of test batteries to be used in evaluation of chemical analogs. GAPs provided useful data for development of weight-of-evidence hazard ranking schemes. Also, some knowledge of the potential genetic activity of complex environmental mixtures may be gained from an assessment of the genetic activity profiles of component chemicals. The fundamental techniques and computer programs devised for the GAP database may be used to develop similar databases in other disciplines. 36 refs., 2 figs.

  7. Novel amine-based presursor compounds and composite membranes thereof

    DOE Patents [OSTI]

    Lee, Eric K. L. (Wilmington, DE); Tuttle, Mark E. (Bend, OR)

    1989-01-01

    Novel amine-based precursor compounds comprising the condensation products of dialkylenetriamine and alpha, beta-unsaturated acid halides are disclosed, as well as composite membranes containing such compounds, the membranes being useful in RO-type processes for desalination and the removal of low molecular weight organic compounds such as phenols and carboxylic acids.

  8. 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.

  9. Process for reducing aromatic compounds in ethylenediamine with calcium

    DOE Patents [OSTI]

    Benkeser, Robert A. (West Lafayette, IN); Laugal, James A. (Lostant, IL); Rappa, Angela (Baltimore, MD)

    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.

  10. Superconductivity in graphite intercalation compounds

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

    Smith, Robert P. [Univ. of Cambridge (United Kingdom); Dean, Mark P. M. [Brookhaven National Lab. (BNL), Upton, NY (United States); Weller, Thomas E. [Univ. College of London (United Kingdom); Howard, Christopher A. [Univ. College of London (United Kingdom); Rahnejat, Kaveh C. [Univ. College of London (United Kingdom); Saxena, Siddharth S. [Univ. of Cambridge (United Kingdom); Ellerby, Mark [Univ. College of London (United Kingdom)

    2015-07-01

    The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s This paper recontextualizes the field in light of the discovery of superconductivity in CaC? and YbC? in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how this relates to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  11. Superconductivity in graphite intercalation compounds

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

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P. M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-02-26

    This study examines the field of superconductivity in the class of materials known as graphite intercalation compounds which has a history dating back to the 1960s. This paper recontextualizes the field in light of the discovery of superconductivity in CaC? and YbC? in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how this relates to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic statesmore »and phonon modes are most important for superconductivity and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.« less

  12. Project Profile: Hybrid Organic Silicone HTF Utilizing Endothermic...

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

    Hybrid Organic Silicone HTF Utilizing Endothermic Chemical Reactions for Latent Heat Storage Project Profile: Hybrid Organic Silicone HTF Utilizing Endothermic Chemical Reactions...

  13. The role of chemicals and radiation in the etiology of cancer

    SciTech Connect (OSTI)

    Huberman, E.; Barr, S.H.

    1985-01-01

    In this volume, investigators consider the mechanisms of oncogenesis, cell transformation, and carcinogen metabolism and present new findings on chemical and radiation carcinogenesis and chemically induced mutagenesis and chromosomal changes. As background to the studies of chemical and radiation carcinogenesis, the book surveys knowledge of cell transformation and carcinogen metabolism. Among the topics reviewed are the transforming genes involved in human malignancy, the genetics and epigenetics of neoplasia, and the single-hit and multi-hit concepts of hepatocarcinogenesis. Also examined are organ, species, and interindividual differences in carcinogen metabolism; chemical and biochemical dosimetry of genotoxic chemical exposure; and the role of pharmacokinetics and DNA dosimetry in relating in vitro to in vivo actions of N-nitroso compounds.

  14. Chemical leukoderma

    E-Print Network [OSTI]

    O'Reilly, Kathryn E; Patel, Utpal; Chu, Julie; Patel, Rishi; Machler, Brian C

    2011-01-01

    the first report, to date, of chemical leukoderma that wasreview on biological, chemical and clinical aspects. Pigment4. Briganti S, et al. Chemical and instrumental approaches

  15. XAFS Model Compound Library

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

    Newville, Matthew

    The XAFS Model Compound Library contains XAFS data on model compounds. The term "model" compounds refers to compounds of homogeneous and well-known crystallographic or molecular structure. Each data file in this library has an associated atoms.inp file that can be converted to a feff.inp file using the program ATOMS. (See the related Searchable Atoms.inp Archive at http://cars9.uchicago.edu/~newville/adb/) This Library exists because XAFS data on model compounds is useful for several reasons, including comparing to unknown data for "fingerprinting" and testing calculations and analysis methods. The collection here is currently limited, but is growing. The focus to date has been on inorganic compounds and minerals of interest to the geochemical community. [Copied, with editing, from http://cars9.uchicago.edu/~newville/ModelLib/

  16. 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.

  17. 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.

  18. Preparation of uranium compounds

    DOE Patents [OSTI]

    Kiplinger, Jaqueline L; Montreal, Marisa J; Thomson, Robert K; Cantat, Thibault; Travia, Nicholas E

    2013-02-19

    UI.sub.3(1,4-dioxane).sub.1.5 and UI.sub.4(1,4-dioxane).sub.2, were synthesized in high yield by reacting turnings of elemental uranium with iodine dissolved in 1,4-dioxane under mild conditions. These molecular compounds of uranium are thermally stable and excellent precursor materials for synthesizing other molecular compounds of uranium including alkoxide, amide, organometallic, and halide compounds.

  19. Partially fluorinated ionic compounds

    DOE Patents [OSTI]

    Han, legal representative, Amy Qi (Hockessin, DE); Yang, Zhen-Yu (Hockessin, DE)

    2008-11-25

    Partially fluorinated ionic compounds are prepared. They are useful in the preparation of partially fluorinated dienes, in which the repeat units are cycloaliphatic.

  20. Mixed crystal organic scintillators

    DOE Patents [OSTI]

    Zaitseva, Natalia P; Carman, M Leslie; Glenn, Andrew M; Hamel, Sebastien; Hatarik, Robert; Payne, Stephen A; Stoeffl, Wolfgang

    2014-09-16

    A mixed organic crystal according to one embodiment includes a single mixed crystal having two compounds with different bandgap energies, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source, wherein the signal response signature does not include a significantly-delayed luminescence characteristic of neutrons interacting with the organic crystal relative to a luminescence characteristic of gamma rays interacting with the organic crystal. According to one embodiment, an organic crystal includes bibenzyl and stilbene or a stilbene derivative, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source.

  1. Apparatus and methods for detecting chemical permeation

    DOE Patents [OSTI]

    Vo-Dinh, Tuan (Knoxville, TN)

    1994-01-01

    Apparatus and methods for detecting the permeation of hazardous or toxic chemicals through protective clothing are disclosed. The hazardous or toxic chemicals of interest do not possess the spectral characteristic of luminescence. The apparatus and methods utilize a spectrochemical modification technique to detect the luminescence quenching of an indicator compound which upon permeation of the chemical through the protective clothing, the indicator is exposed to the chemical, thus indicating chemical permeation.

  2. Subscriber access provided by University Libraries | University of Notre Dame Organic Letters is published by the American Chemical Society. 1155 Sixteenth

    E-Print Network [OSTI]

    Smith, Bradley D.

    Subscriber access provided by University Libraries | University of Notre Dame Organic Letters in paint strippers and removers.4 The homologue, 1,2-dichloroethane, is produced in much larger amounts

  3. Beta cell device using icosahedral boride compounds

    DOE Patents [OSTI]

    Aselage, Terrence L. (62 Avenida Del Sol, Cedar Crest, NM 87008); Emin, David (1502 Harvard Ct., NE., Albuquerque, NM 87106-3712)

    2002-01-01

    A beta cell for converting beta-particle energies into electrical energy having a semiconductor junction that incorporates an icosahedral boride compound selected from B.sub.12 As.sub.2, B.sub.12 P.sub.2, elemental boron having an .alpha.-rhombohedral structure, elemental boron having a .beta.-rhombohedral structure, and boron carbides of the chemical formula B.sub.12-x C.sub.3-x, where 0.15compound self-heals, resisting degradation from radiation damage.

  4. Formulations for neutralization of chemical and biological toxants

    DOE Patents [OSTI]

    Tadros, Maher E.; Tucker, Mark D.

    2003-05-20

    A formulation and method of making that neutralizes the adverse health effects of both chemical and biological compounds, especially chemical warfare (CW) and biological warfare (BW) agents. The formulation of the present invention non-toxic and non-corrosive and can be delivered by a variety of means and in different phases. The formulation provides solubilizing compounds that serve to effectively render the chemical and biological compounds, particularly CW and BW compounds, susceptible to attack and at least one reactive compound that serves to attack (and detoxify or kill) the compound. The at least one reactive compound can be an oxidizing compound, a nucleophilic compound or a mixture of both. The formulation can kill up to 99.99999% of bacterial spores within one hour of exposure.

  5. Catalysts for the hydrodenitrogenation of organic materials and process for the preparation of the catalysts

    DOE Patents [OSTI]

    Laine, R.M.; Hirschon, A.S.; Wilson, R.B. Jr.

    1987-12-29

    A process is described for the preparation of a multimetallic catalyst for the hydrodenitrogenation of an organic feedstock, which process comprises: (a) forming a precatalyst itself comprising: (1) a first metal compound selected from compounds of nickel, cobalt or mixtures thereof; (2) a second metal compound selected from compounds of chromium, molybdenum, tungsten, or mixtures thereof; and (3) an inorganic support; (b) heating the precatalyst of step (a) with a source of sulfide in a first non-oxidizing gas at a temperature and for a time effective to presulfide the precatalyst; (c) adding in a second non-oxidizing gas to the sulfided precatalyst of step (b) an organometallic transition metal moiety selected from compounds of iridium, rhodium, iron, ruthenium, tungsten or mixtures thereof for a time and at a temperature effective to chemically combine the metal components; and (d) optionally heating the chemically combined catalyst of step (b) in vacuum at a temperature and for a time effective to remove residual volatile organic materials. 12 figs.

  6. Chemical aging of single and multicomponent biomass burning aerosol surrogate-particles by OH: Implications for cloud condensation nucleus activity

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

    Thalman, R.; Thalman, R.; Wang, J.; Knopf, D. A.

    2015-01-01

    Multiphase OH and O? oxidation reactions with atmospheric organic aerosol (OA) can influence particle physicochemical properties including composition, morphology, and lifetime. Chemical aging of initially insoluble or low soluble single-component OA by OH and O? can increase their water-solubility and hygroscopicity, making them more active as cloud condensation nuclei (CCN) and susceptible to wet deposition. However, an outstanding problem is whether the effects of chemical aging on their CCN activity are preserved when mixed with other organic or inorganic compounds exhibiting greater water-solubility. In this work, the CCN activity of laboratory-generated biomass burning aerosol (BBA) surrogate-particles exposed to OH andmore »O? is evaluated by determining the hygroscopicity parameter, ?, as a function of particle type, mixing state, and OH/O? exposure applying a CCN counter (CCNc) coupled to an aerosol flow reactor (AFR). Levoglucosan (LEV), 4-methyl-5-nitrocatechol (MNC), and potassium sulfate (KS) serve as representative BBA compounds that exhibit different hygroscopicity, water solubility, chemical functionalities, and reactivity with OH radicals, and thus exemplify the complexity of mixed inorganic/organic aerosol in the atmosphere. The CCN activities of all of the particles were unaffected by O? exposure. Following exposure to OH, ? of MNC was enhanced by an order of magnitude, from 0.009 to ~0.1, indicating that chemically-aged MNC particles are better CCN and more prone to wet deposition than pure MNC particles. No significant enhancement in ? was observed for pure LEV particles following OH exposure. ? of the internally-mixed particles was not affected by OH oxidation. Furthermore, the CCN activity of OH exposed MNC-coated KS particles is similar to the OH unexposed atomized 1:1 by mass MNC: KS binary-component particles. Our results strongly suggest that when OA is dominated by water-soluble organic carbon (WSOC) or inorganic ions, chemical aging has no significant impact on OA hygroscopicity. The organic compounds exhibiting low solubility behave as if they are infinitely soluble when mixed with a sufficient amount of water-soluble compounds. At and beyond this point, the particles' CCN activity is governed entirely by the water-soluble fraction and not influenced by the oxidized organic fraction. Our results have important implications for heterogeneous oxidation and its impact on cloud formation given that atmospheric aerosol is a complex mixture of organic and inorganic compounds exhibiting a wide-range of solubilities.« less

  7. Chemical aging of single and multicomponent biomass burning aerosol surrogate particles by OH: implications for cloud condensation nucleus activity

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

    Slade, J. H.; Thalman, R.; Wang, J.; Knopf, D. A.

    2015-09-14

    Multiphase OH and O3 oxidation reactions with atmospheric organic aerosol (OA) can influence particle physicochemical properties including composition, morphology, and lifetime. Chemical aging of initially insoluble or low-soluble single-component OA by OH and O3 can increase their water solubility and hygroscopicity, making them more active as cloud condensation nuclei (CCN) and susceptible to wet deposition. However, an outstanding problem is whether the effects of chemical aging on their CCN activity are preserved when mixed with other organic or inorganic compounds exhibiting greater water solubility. In this work, the CCN activity of laboratory-generated biomass burning aerosol (BBA) surrogate particles exposed tomore »OH and O3 is evaluated by determining the hygroscopicity parameter, ?, as a function of particle type, mixing state, and OH and O3 exposure applying a CCN counter (CCNc) coupled to an aerosol flow reactor (AFR). Levoglucosan (LEV), 4-methyl-5-nitrocatechol (MNC), and potassium sulfate (KS) serve as representative BBA compounds that exhibit different hygroscopicity, water solubility, chemical functionalities, and reactivity with OH radicals, and thus exemplify the complexity of mixed inorganic/organic aerosol in the atmosphere. The CCN activities of all of the particles were unaffected by O3 exposure. Following exposure to OH, ? of MNC was enhanced by an order of magnitude, from 0.009 to ~ 0.1, indicating that chemically aged MNC particles are better CCN and more prone to wet deposition than pure MNC particles. No significant enhancement in ? was observed for pure LEV particles following OH exposure. ? of the internally mixed particles was not affected by OH oxidation. Furthermore, the CCN activity of OH-exposed MNC-coated KS particles is similar to the OH unexposed atomized 1 : 1 by mass MNC : KS binary-component particles. Our results strongly suggest that when OA is dominated by water-soluble organic carbon (WSOC) or inorganic ions, chemical aging has no significant impact on OA hygroscopicity. The organic compounds exhibiting low solubility behave as if they are infinitely soluble when mixed with a sufficient number of water-soluble compounds. At and beyond this point, the particles' CCN activity is governed entirely by the water-soluble fraction and is not influenced by the oxidized organic fraction. Our results have important implications for heterogeneous oxidation and its impact on cloud formation given that atmospheric aerosol is a complex mixture of organic and inorganic compounds exhibiting a wide range of solubilities.« less

  8. Chemical aging of single and multicomponent biomass burning aerosol surrogate-particles by OH: implications for cloud condensation nucleus activity

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

    Slade, J. H.; Thalman, R.; Wang, J.; Knopf, D. A.

    2015-03-06

    Multiphase OH and O3 oxidation reactions with atmospheric organic aerosol (OA) can influence particle physicochemical properties including composition, morphology, and lifetime. Chemical aging of initially insoluble or low soluble single-component OA by OH and O3 can increase their water-solubility and hygroscopicity, making them more active as cloud condensation nuclei (CCN) and susceptible to wet deposition. However, an outstanding problem is whether the effects of chemical aging on their CCN activity are preserved when mixed with other organic or inorganic compounds exhibiting greater water-solubility. In this work, the CCN activity of laboratory-generated biomass burning aerosol (BBA) surrogate-particles exposed to OH andmore »O3 is evaluated by determining the hygroscopicity parameter, ?, as a function of particle type, mixing state, and OH/O3 exposure applying a CCN counter (CCNc) coupled to an aerosol flow reactor (AFR). Levoglucosan (LEV), 4-methyl-5-nitrocatechol (MNC), and potassium sulfate (KS) serve as representative BBA compounds that exhibit different hygroscopicity, water solubility, chemical functionalities, and reactivity with OH radicals, and thus exemplify the complexity of mixed inorganic/organic aerosol in the atmosphere. The CCN activities of all of the particles were unaffected by O3 exposure. Following exposure to OH, ? of MNC was enhanced by an order of magnitude, from 0.009 to ~0.1, indicating that chemically-aged MNC particles are better CCN and more prone to wet deposition than pure MNC particles. No significant enhancement in ? was observed for pure LEV particles following OH exposure. ? of the internally-mixed particles was not affected by OH oxidation. Furthermore, the CCN activity of OH exposed MNC-coated KS particles is similar to the OH unexposed atomized 1 : 1 by mass MNC : KS binary-component particles. Our results strongly suggest that when OA is dominated by water-soluble organic carbon (WSOC) or inorganic ions, chemical aging has no significant impact on OA hygroscopicity. The organic compounds exhibiting low solubility behave as if they are infinitely soluble when mixed with a sufficient amount of water-soluble compounds. At and beyond this point, the particles' CCN activity is governed entirely by the water-soluble fraction and not influenced by the oxidized organic fraction. Our results have important implications for heterogeneous oxidation and its impact on cloud formation given that atmospheric aerosol is a complex mixture of organic and inorganic compounds exhibiting a wide-range of solubilities.« less

  9. Survey of Alternative Feedstocks for Commodity Chemical Manufacturing

    SciTech Connect (OSTI)

    McFarlane, Joanna; Robinson, Sharon M

    2008-02-01

    The current high prices for petroleum and natural gas have spurred the chemical industry to examine alternative feedstocks for the production of commodity chemicals. High feedstock prices have driven methanol and ammonia production offshore. The U.S. Chemical Industry is the largest user of natural gas in the country. Over the last 30 years, alternatives to conventional petroleum and natural gas feedstocks have been developed, but have limited, if any, commercial implementation in the United States. Alternative feedstocks under consideration include coal from unconventional processing technologies, such as gasification and liquefaction, novel resources such as biomass, stranded natural gas from unconventional reserves, and heavy oil from tar sands or oil shale. These feedstock sources have been evaluated with respect to the feasibility and readiness for production of the highest volume commodity chemicals in the United States. Sources of organic compounds, such as ethanol from sugar fermentation and bitumen-derived heavy crude are now being primarily exploited for fuels, rather than for chemical feedstocks. Overall, government-sponsored research into the use of alternatives to petroleum feedstocks focuses on use for power and transportation fuels rather than for chemical feedstocks. Research is needed to reduce cost and technical risk. Use of alternative feedstocks is more common outside the United States R&D efforts are needed to make these processes more efficient and less risky before becoming more common domestically. The status of alternative feedstock technology is summarized.

  10. Heart testing compound

    DOE Patents [OSTI]

    Knapp, F.F. Jr.; Goodman, M.M.

    1983-06-29

    The compound 15-(p-(/sup 125/I)-iodophenyl)-6-tellurapentadecanoic acid is disclosed as a myocardial imaging agent having rapid and pronounced uptake, prolonged myocardial retention, and low in vivo deiodination.

  11. Heart testing compound

    DOE Patents [OSTI]

    Knapp, Jr., Furn F. (Oak Ridge, TN); Goodman, Mark M. (Knoxville, TN)

    1985-01-01

    The compound 15-(p-[.sup.125 I]-iodophenyl)-6-tellurapentadecanoic acid is disclosed as a myocardial imaging agent having rapid and pronounced uptake, prolonged myocardial retention, and low in vivo deiodination.

  12. Chemical reactivities of ambient air samples in three Southern California communities

    E-Print Network [OSTI]

    2015-01-01

    and A.K. Cho. 2012. The chemical biology of naphthoquinonesinvolvement of organic chemicals and oxidative stress. Curr.www.tandfonline.com/loi/uawm20 Chemical reactivities of

  13. Persistent Organic By Steven Jackson

    E-Print Network [OSTI]

    Toohey, Darin W.

    Persistent Organic Pollutants By Steven Jackson #12;What are POP's? · POP's are organic compounds ą,˛- (Fungicide) Polychlorinated biphenyls (PCBs) ą,˛ (Industrial processes eg paint additives) Polychlorinated by accumulating in the body fat of living organisms and becoming more concentrated as they move from one creature

  14. Chemical substructure analysis in toxicology

    SciTech Connect (OSTI)

    Beauchamp, R.O. Jr.

    1990-12-31

    A preliminary examination of chemical-substructure analysis (CSA) demonstrates the effective use of the Chemical Abstracts compound connectivity file in conjunction with the bibliographic file for relating chemical structures to biological activity. The importance of considering the role of metabolic intermediates under a variety of conditions is illustrated, suggesting structures that should be examined that may exhibit potential activity. This CSA technique, which utilizes existing large files accessible with online personal computers, is recommended for use as another tool in examining chemicals in drugs. 2 refs., 4 figs.

  15. Nighttime chemical evolution of aerosol and trace gases in a power plant plume: Implications for secondary organic nitrate and organosulfate aerosol formation, NO? radical chemistry, and N?O? heterogeneous hydrolysis

    SciTech Connect (OSTI)

    Zaveri, Rahul A.; Berkowitz, Carl M.; Brechtel, Fred J.; Gilles, Marry K.; Hubbe, John M.; Jayne, J. T.; Kleinman, Lawrence I.; Laskin, Alexander; Madronich, Sasha; Onasch, Timothy B.; Pekour, Mikhail S.; Springston, Stephen R.; Thornton, Joel A.; Tivanski, Alexei V.; Worsnop, Douglas R.

    2010-06-22

    Chemical evolution of aerosols and trace gases in the Salem Harbor power plant plume was monitored with the DOE G-1 aircraft on the night of July 30-31, 2002. Quasi-Lagrangian sampling in the plume at increasing downwind distances/processing times was guided by a constant-volume tetroon that was released near the power plant at sunset. While no evidence of fly ash particles was found, concentrations of particulate organics, sulfate, and nitrate were higher in the plume than in the nearby background air. These species were internally mixed and the particles were acidic, suggesting that particulate nitrate was in the form of organic nitrate. The enhanced particulate organic and nitrate masses in the plume were inferred to be as secondary organic aerosol, possibly formed from the NO3 radical-initiated oxidation of isoprene and other trace organic gases in the presence of acidic sulfate particles. The enhanced particulate sulfate concentrations observed in the plume were attributed to direct emissions of gaseous SO3/H2SO4 from the power plant. Furthermore, concentration of nucleation mode particles was significantly higher in the plume than in background air, suggesting that some of the emitted H2SO4 had nucleated to form new particles. Spectromicroscopic analyses of particle samples suggested that some sulfate was likely in the form of organosulfates. Constrained Lagrangian model analysis of the aircraft and tetroon observations showed that heterogeneous hydrolysis of N2O5 was negligibly slow. These results have significant implications for several scientific and regulatory issues related to the impacts of power plant emissions on atmospheric chemistry, air quality, visibility, and climate.

  16. Enhanced formulations for neutralization of chemical, biological and industrial toxants

    DOE Patents [OSTI]

    Tucker, Mark D. (Albuqueque, NM) [Albuqueque, NM

    2008-06-24

    An enhanced formulation and method of making that neutralizes the adverse health effects of both chemical and biological compounds, especially chemical warfare (CW) and biological warfare (BW) agents, and toxic industrial chemicals. The enhanced formulation according to the present invention is non-toxic and non-corrosive and can be delivered by a variety of means and in different phases. The formulation provides solubilizing compounds that serve to effectively render the chemical and biological compounds, particularly CW and BW compounds, susceptible to attack, and at least one reactive compound that serves to attack (and detoxify or kill) the compound. The formulation includes at least one solubilizing agent, a reactive compound, a bleaching activator and water.

  17. Chemical vapor deposition of group IIIB metals

    DOE Patents [OSTI]

    Erbil, A.

    1989-11-21

    Coatings of Group IIIB metals and compounds thereof are formed by chemical vapor deposition, in which a heat decomposable organometallic compound of the formula given in the patent where M is a Group IIIB metal, such as lanthanum or yttrium and R is a lower alkyl or alkenyl radical containing from 2 to about 6 carbon atoms, with a heated substrate which is above the decomposition temperature of the organometallic compound. The pure metal is obtained when the compound of the formula 1 is the sole heat decomposable compound present and deposition is carried out under nonoxidizing conditions. Intermetallic compounds such as lanthanum telluride can be deposited from a lanthanum compound of formula 1 and a heat decomposable tellurium compound under nonoxidizing conditions.

  18. The 30th Annual Chemical Physics

    E-Print Network [OSTI]

    Le Roy, Robert J.

    of Waterloo Department of Chemistry, University of Waterloo AB SCIEX #12;Symposium on Chemical PhysicsMaster University) Ab Initio Modeling of Excited States of Uranium Compounds: Dissecting the Interplay of Electron

  19. Method of manipulating the chemical properties of water to improve the effectiveness of a desired process

    DOE Patents [OSTI]

    Hawthorne, Steven B. (Grand Forks, ND); Miller, David J. (Grand Forks, ND); Lagadec, Arnaud Jean-Marie (Grand Forks, ND); Hammond, Peter James (York, GB); Clifford, Anthony Alan (Leeds, GB)

    2002-01-01

    The method of the present invention is adapted to manipulate the chemical properties of water in order to improve the effectiveness of a desired process. The method involves heating the water in the vessel to subcritical temperatures between 100.degree. to 374.degree. C. while maintaining sufficient pressure to the water to maintain the water in the liquid state. Various physiochemical properties of the water can be manipulated including polarity, solute solubility, surface tension, viscosity, and the disassociation constant. The method of the present invention has various uses including extracting organics from solids and semisolids such as soil, selectively extracting desired organics from liquids, selectively separating organics using sorbent phases, enhancing reactions by controlling the disassociation constant of water, cleaning waste water, removing organics from water using activated carbon or other suitable sorbents, and degrading various compounds.

  20. A novel inorganic-organic compound: Synthesis and structural characterization of tin(II) phenylbis(phosphonate), Sn{sub 2}(PO{sub 3}C{sub 6}H{sub 4}PO{sub 3})

    SciTech Connect (OSTI)

    Subbiah, Ayyappan; Bhuvanesh, Nattamai; Clearfield, Abraham . E-mail: clearfield@mail.chem.tamu.edu

    2005-04-15

    A novel tin(II) phenylbis(phosphonate) compound has been synthesized hydrothermally and its structure has been determined by single crystal X-ray diffraction. The structure is monoclinic, space group P2{sub 1}/c (no. 14), a=4.8094(4), b=16.2871(13), c=6.9107(6)A; {beta}=106.292(6){sup o}, V=519.59(7)A{sup 3}, Z=2. The three-dimensional structure consists of 3-coordinated tin and 4-coordinated phosphorus double layers separated (pillared) by phenyl rings. These phenyl rings are placed 4.8A apart along the a-axis in the structure resulting in lower surface area ({approx}14m{sup 2}/g). The porosity has been increased by replacing phenyl groups by methyl groups ({approx}31m{sup 2}/g)

  1. Reactive codoping of GaAlInP compound semiconductors

    DOE Patents [OSTI]

    Hanna, Mark Cooper (Boulder, CO); Reedy, Robert (Golden, CO)

    2008-02-12

    A GaAlInP compound semiconductor and a method of producing a GaAlInP compound semiconductor are provided. The apparatus and method comprises a GaAs crystal substrate in a metal organic vapor deposition reactor. Al, Ga, In vapors are prepared by thermally decomposing organometallic compounds. P vapors are prepared by thermally decomposing phospine gas, group II vapors are prepared by thermally decomposing an organometallic group IIA or IIB compound. Group VIB vapors are prepared by thermally decomposing a gaseous compound of group VIB. The Al, Ga, In, P, group II, and group VIB vapors grow a GaAlInP crystal doped with group IIA or IIB and group VIB elements on the substrate wherein the group IIA or IIB and a group VIB vapors produced a codoped GaAlInP compound semiconductor with a group IIA or IIB element serving as a p-type dopant having low group II atomic diffusion.

  2. Organic Molecule Functionalized Zn3P2 Nanowire Inorganic-Organic...

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

    synthesis of compound semiconductor nanowire powders for inorganic-organic hybrid thermoelectric cells vaddiraju.pdf More Documents & Publications NSFDOE Thermoelectric...

  3. Compound floating pivot micromechanisms

    DOE Patents [OSTI]

    Garcia, Ernest J. (Albuquerque, NM)

    2001-04-24

    A new class of tilting micromechanical mechanisms have been developed. These new mechanisms use compound floating pivot structures to attain far greater tilt angles than are practical using other micromechanical techniques. The new mechanisms are also capable of bi-directional tilt about multiple axes.

  4. Aminopropyl thiophene compounds

    DOE Patents [OSTI]

    Goodman, Mark M. (Knoxville, TN); Knapp, Jr., Furn F. (Oak Ridge, TN)

    1990-01-01

    Radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain.

  5. Giant magnetoresistive cobalt oxide compounds

    DOE Patents [OSTI]

    Schultz, Peter G. (Oakland, CA); Xiang, Xiaodong (Alameda, CA); Goldwasser, Isy (Menlo Park, CA)

    1998-01-01

    Methods and apparatus for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties.

  6. Giant magnetoresistive cobalt oxide compounds

    DOE Patents [OSTI]

    Schultz, P.G.; Xiang, X.; Goldwasser, I.

    1998-07-07

    Methods and apparatus are disclosed for the preparation and use of a substrate having an array of diverse materials in predefined regions thereon. A substrate having an array of diverse materials thereon is generally prepared by delivering components of materials to predefined regions on a substrate, and simultaneously reacting the components to form at least two materials. Materials which can be prepared using the methods and apparatus of the present invention include, for example, covalent network solids, ionic solids and molecular solids. More particularly, materials which can be prepared using the methods and apparatus of the present invention include, for example, inorganic materials, intermetallic materials, metal alloys, ceramic materials, organic materials, organometallic materials, non-biological organic polymers, composite materials (e.g., inorganic composites, organic composites, or combinations thereof), etc. Once prepared, these materials can be screened for useful properties including, for example, electrical, thermal, mechanical, morphological, optical, magnetic, chemical, or other properties. Thus, the present invention provides methods for the parallel synthesis and analysis of novel materials having useful properties. 58 figs.

  7. Organics Verification Study for Sinclair and Dyes Inlets, Washington

    SciTech Connect (OSTI)

    Kohn, Nancy P.; Brandenberger, Jill M.; Niewolny, Laurie A.; Johnston, Robert K.

    2006-09-28

    Sinclair and Dyes Inlets near Bremerton, Washington, are on the State of Washington 1998 303(d) list of impaired waters because of fecal coliform contamination in marine water, metals in sediment and fish tissue, and organics in sediment and fish tissue. Because significant cleanup and source control activities have been conducted in the inlets since the data supporting the 1998 303(d) listings were collected, two verification studies were performed to address the 303(d) segments that were listed for metal and organic contaminants in marine sediment. The Metals Verification Study (MVS) was conducted in 2003; the final report, Metals Verification Study for Sinclair and Dyes Inlets, Washington, was published in March 2004 (Kohn et al. 2004). This report describes the Organics Verification Study that was conducted in 2005. The study approach was similar to the MVS in that many surface sediment samples were screened for the major classes of organic contaminants, and then the screening results and other available data were used to select a subset of samples for quantitative chemical analysis. Because the MVS was designed to obtain representative data on concentrations of contaminants in surface sediment throughout Sinclair Inlet, Dyes Inlet, Port Orchard Passage, and Rich Passage, aliquots of the 160 MVS sediment samples were used in the analysis for the Organics Verification Study. However, unlike metals screening methods, organics screening methods are not specific to individual organic compounds, and are not available for some target organics. Therefore, only the quantitative analytical results were used in the organics verification evaluation. The results of the Organics Verification Study showed that sediment quality outside of Sinclair Inlet is unlikely to be impaired because of organic contaminants. Similar to the results for metals, in Sinclair Inlet, the distribution of residual organic contaminants is generally limited to nearshore areas already within the actively managed Puget Sound Naval Shipyard and Intermediate Maintenance Facility Superfund Site, where further source-control actions and monitoring are under way.

  8. Metal Organic Framework Research: High Throughput Discovery of Robust Metal Organic Framework for CO2 Capture

    SciTech Connect (OSTI)

    None

    2010-08-01

    IMPACCT Project: LBNL is developing a method for identifying the best metal organic frameworks for use in capturing CO2 from the flue gas of coal-fired power plants. Metal organic frameworks are porous, crystalline compounds that, based on their chemical structure, vary considerably in terms of their capacity to grab hold of passing CO2 molecules and their ability to withstand the harsh conditions found in the gas exhaust of coal-fired power plants. Owing primarily to their high tunability, metal organic frameworks can have an incredibly wide range of different chemical and physical properties, so identifying the best to use for CO2 capture and storage can be a difficult task. LBNL uses high-throughput instrumentation to analyze nearly 100 materials at a time, screening them for the characteristics that optimize their ability to selectively adsorb CO2 from coal exhaust. Their work will identify the most promising frameworks and accelerate their large-scale commercial development to benefit further research into reducing the cost of CO2 capture and storage.

  9. Reactive Distillation for Esterification of Bio-based Organic Acids

    SciTech Connect (OSTI)

    Fields, Nathan; Miller, Dennis J.; Asthana, Navinchandra S.; Kolah, Aspi K.; Vu, Dung; Lira, Carl T.

    2008-09-23

    The following is the final report of the three year research program to convert organic acids to their ethyl esters using reactive distillation. This report details the complete technical activities of research completed at Michigan State University for the period of October 1, 2003 to September 30, 2006, covering both reactive distillation research and development and the underlying thermodynamic and kinetic data required for successful and rigorous design of reactive distillation esterification processes. Specifically, this project has led to the development of economical, technically viable processes for ethyl lactate, triethyl citrate and diethyl succinate production, and on a larger scale has added to the overall body of knowledge on applying fermentation based organic acids as platform chemicals in the emerging biorefinery. Organic acid esters constitute an attractive class of biorenewable chemicals that are made from corn or other renewable biomass carbohydrate feedstocks and replace analogous petroleum-based compounds, thus lessening U.S. dependence on foreign petroleum and enhancing overall biorefinery viability through production of value-added chemicals in parallel with biofuels production. Further, many of these ester products are candidates for fuel (particularly biodiesel) components, and thus will serve dual roles as both industrial chemicals and fuel enhancers in the emerging bioeconomy. The technical report from MSU is organized around the ethyl esters of four important biorenewables-based acids: lactic acid, citric acid, succinic acid, and propionic acid. Literature background on esterification and reactive distillation has been provided in Section One. Work on lactic acid is covered in Sections Two through Five, citric acid esterification in Sections Six and Seven, succinic acid in Section Eight, and propionic acid in Section Nine. Section Ten covers modeling of ester and organic acid vapor pressure properties using the SPEAD (Step Potential Equilibrium and Dynamics) method.

  10. Multicylinder compound engine

    SciTech Connect (OSTI)

    Paul, M.A.; Paul, A.

    1990-10-23

    This patent describes a compound, rotary-reciprocal engine. It comprises: a two-cycle reciprocator having cylinders, each cylinder having at least one piston arranged for reciprocation in the cylinder in a cycled operation with a timed air input to the cylinder and a timed exhaust from the cylinder; a compressed air intake and combustion gas exit in each cylinder of the reciprocator; fuel injection means for injecting fuel into the cylinders at appropriate times in the cycled operation; and, a rotocharger.

  11. Risk-based high-throughput chemical screening and prioritization using exposure models and in vitro bioactivity assays

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

    Shin, Hyeong -Moo; Ernstoff, Alexi; Arnot, Jon A.; Wetmore, Barbara A.; Csiszar, Susan A.; Fantke, Peter; Zhang, Xianming; McKone, Thomas E.; Jolliet, Olivier; Bennett, Deborah H.

    2015-05-01

    We present a risk-based high-throughput screening (HTS) method to identify chemicals for potential health concerns or for which additional information is needed. The method is applied to 180 organic chemicals as a case study. We first obtain information on how the chemical is used and identify relevant use scenarios (e.g., dermal application, indoor emissions). For each chemical and use scenario, exposure models are then used to calculate a chemical intake fraction, or a product intake fraction, accounting for chemical properties and the exposed population. We then combine these intake fractions with use scenario-specific estimates of chemical quantity to calculate dailymore »intake rates (iR; mg/kg/day). These intake rates are compared to oral equivalent doses (OED; mg/kg/day), calculated from a suite of ToxCast in vitro bioactivity assays using in vitro-to-in vivo extrapolation and reverse dosimetry. Bioactivity quotients (BQs) are calculated as iR/OED to obtain estimates of potential impact associated with each relevant use scenario. Of the 180 chemicals considered, 38 had maximum iRs exceeding minimum OEDs (i.e., BQs > 1). For most of these compounds, exposures are associated with direct intake, food/oral contact, or dermal exposure. The method provides high-throughput estimates of exposure and important input for decision makers to identify chemicals of concern for further evaluation with additional information or more refined models.« less

  12. Direct synthesis of catalyzed hydride compounds

    DOE Patents [OSTI]

    Gross, Karl J.; Majzoub, Eric

    2004-09-21

    A method is disclosed for directly preparing alkali metal aluminum hydrides such as NaAlH.sub.4 and Na.sub.3 AlH.sub.6 from either the alkali metal or its hydride, and aluminum. The hydride thus prepared is doped with a small portion of a transition metal catalyst compound, such as TiCl.sub.3, TiF.sub.3, or a mixture of these materials, in order to render them reversibly hydridable. The process provides for mechanically mixing the dry reagents under an inert atmosphere followed by charging the mixed materials with high pressure hydrogen while heating the mixture to about 125.degree. C. The method is relatively simple and inexpensive and provides reversible hydride compounds which are free of the usual contamination introduced by prior art wet chemical methods.

  13. In silico identification of anthropogenic chemicals as ligands of zebrafish sex hormone binding globulin

    SciTech Connect (OSTI)

    Thorsteinson, Nels; Ban, Fuqiang; Santos-Filho, Osvaldo; Tabaei, Seyed M.H. [Prostate Centre at the Vancouver General Hospital, University of British Columbia, 2660 Oak Street, Vancouver, BC, V6H 3Z6 (Canada); Miguel-Queralt, Solange; Underhill, Caroline [Department of Obstetrics and Gynecology, University of British Columbia, Child and Family Research Institute, 950 West 28th Avenue, Vancouver, BC, V5Z 4H4 (Canada); Cherkasov, Artem [Prostate Centre at the Vancouver General Hospital, University of British Columbia, 2660 Oak Street, Vancouver, BC, V6H 3Z6 (Canada)], E-mail: artc@interchange.ubc.ca; Hammond, Geoffrey L. [Department of Obstetrics and Gynecology, University of British Columbia, Child and Family Research Institute, 950 West 28th Avenue, Vancouver, BC, V5Z 4H4 (Canada)

    2009-01-01

    Anthropogenic compounds with the capacity to interact with the steroid-binding site of sex hormone binding globulin (SHBG) pose health risks to humans and other vertebrates including fish. Building on studies of human SHBG, we have applied in silico drug discovery methods to identify potential binders for SHBG in zebrafish (Danio rerio) as a model aquatic organism. Computational methods, including; homology modeling, molecular dynamics simulations, virtual screening, and 3D QSAR analysis, successfully identified 6 non-steroidal substances from the ZINC chemical database that bind to zebrafish SHBG (zfSHBG) with low-micromolar to nanomolar affinities, as determined by a competitive ligand-binding assay. We also screened 80,000 commercial substances listed by the European Chemicals Bureau and Environment Canada, and 6 non-steroidal hits from this in silico screen were tested experimentally for zfSHBG binding. All 6 of these compounds displaced the [{sup 3}H]5{alpha}-dihydrotestosterone used as labeled ligand in the zfSHBG screening assay when tested at a 33 {mu}M concentration, and 3 of them (hexestrol, 4-tert-octylcatechol, and dihydrobenzo(a)pyren-7(8H)-one) bind to zfSHBG in the micromolar range. The study demonstrates the feasibility of large-scale in silico screening of anthropogenic compounds that may disrupt or highjack functionally important protein:ligand interactions. Such studies could increase the awareness of hazards posed by existing commercial chemicals at relatively low cost.

  14. Investigation of microcantilever array with ordered nanoporous coatings for selective chemical detection.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Thornberg, Steven Michael (Sandia National Laboratories, Albuquerque, NM); Lee, J. -H. (Georgia Institute of Technology, Atlanta, GA); Robinson, Alex Lockwood (Sandia National Laboratories, Albuquerque, NM); Hesketh, Peter J. (Georgia Institute of Technology, Atlanta, GA); Greathouse, Jeffery A. (Sandia National Laboratories, Albuquerque, NM); Houk, Ronald J. T.

    2010-03-01

    In this paper we demonstrate the potential for novel nanoporous framework materials (NFM) such as metal-organic frameworks (MOFs) to provide selectivity and sensitivity to a broad range of analytes including explosives, nerve agents, and volatile organic compounds (VOCs). NFM are highly ordered, crystalline materials with considerable synthetic flexibility resulting from the presence of both organic and inorganic components within their structure. Detection of chemical weapons of mass destruction (CWMD), explosives, toxic industrial chemicals (TICs), and volatile organic compounds (VOCs) using micro-electro-mechanical-systems (MEMS) devices, such as microcantilevers and surface acoustic wave sensors, requires the use of recognition layers to impart selectivity. Traditional organic polymers are dense, impeding analyte uptake and slowing sensor response. The nanoporosity and ultrahigh surface areas of NFM enhance transport into and out of the NFM layer, improving response times, and their ordered structure enables structural tuning to impart selectivity. Here we describe experiments and modeling aimed at creating NFM layers tailored to the detection of water vapor, explosives, CWMD, and VOCs, and their integration with the surfaces of MEMS devices. Force field models show that a high degree of chemical selectivity is feasible. For example, using a suite of MOFs it should be possible to select for explosives vs. CWMD, VM vs. GA (nerve agents), and anthracene vs. naphthalene (VOCs). We will also demonstrate the integration of various NFM with the surfaces of MEMS devices and describe new synthetic methods developed to improve the quality of VFM coatings. Finally, MOF-coated MEMS devices show how temperature changes can be tuned to improve response times, selectivity, and sensitivity.

  15. 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.

  16. Yellow phosphorus process to convert toxic chemicals to non-toxic products

    DOE Patents [OSTI]

    Chang, Shih-Ger (El Cerrito, CA)

    1994-01-01

    The present invention relates to a process for generating reactive species for destroying toxic chemicals. This process first contacts air or oxygen with aqueous emulsions of molten yellow phosphorus. This contact results in rapid production of abundant reactive species such as O, O.sub.3, PO, PO.sub.2, etc. A gaseous or liquid aqueous solution organic or inorganic chemicals is next contacted by these reactive species to reduce the concentration of toxic chemical and result in a non-toxic product. The final oxidation product of yellow phosphorus is phosphoric acid of a quality which can be recovered for commercial use. A process is developed such that the byproduct, phosphoric acid, is obtained without contamination of toxic species in liquids treated. A gas stream containing ozone without contamination of phosphorus containing species is also obtained in a simple and cost-effective manner. This process is demonstrated to be effective for destroying many types of toxic organic, or inorganic, compounds, including polychlorinated biphenyls (PCB), aromatic chlorides, amines, alcohols, acids, nitro aromatics, aliphatic chlorides, polynuclear aromatic compounds (PAH), dyes, pesticides, sulfides, hydroxyamines, ureas, dithionates and the like.

  17. Yellow phosphorus process to convert toxic chemicals to non-toxic products

    DOE Patents [OSTI]

    Chang, S.G.

    1994-07-26

    The present invention relates to a process for generating reactive species for destroying toxic chemicals. This process first contacts air or oxygen with aqueous emulsions of molten yellow phosphorus. This contact results in rapid production of abundant reactive species such as O, O[sub 3], PO, PO[sub 2], etc. A gaseous or liquid aqueous solution organic or inorganic chemicals is next contacted by these reactive species to reduce the concentration of toxic chemical and result in a non-toxic product. The final oxidation product of yellow phosphorus is phosphoric acid of a quality which can be recovered for commercial use. A process is developed such that the byproduct, phosphoric acid, is obtained without contamination of toxic species in liquids treated. A gas stream containing ozone without contamination of phosphorus containing species is also obtained in a simple and cost-effective manner. This process is demonstrated to be effective for destroying many types of toxic organic, or inorganic, compounds, including polychlorinated biphenyls (PCB), aromatic chlorides, amines, alcohols, acids, nitro aromatics, aliphatic chlorides, polynuclear aromatic compounds (PAH), dyes, pesticides, sulfides, hydroxyamines, ureas, dithionates and the like. 20 figs.

  18. Apparatus and methods for detecting chemical permeation

    DOE Patents [OSTI]

    Vo-Dinh, T.

    1994-12-27

    Apparatus and methods for detecting the permeation of hazardous or toxic chemicals through protective clothing are disclosed. The hazardous or toxic chemicals of interest do not possess the spectral characteristic of luminescence. The apparatus and methods utilize a spectrochemical modification technique to detect the luminescence quenching of an indicator compound which upon permeation of the chemical through the protective clothing, the indicator is exposed to the chemical, thus indicating chemical permeation. The invention also relates to the fabrication of protective clothing materials. 13 figures.

  19. Boronated porphyrin compounds

    DOE Patents [OSTI]

    Kahl, S.B.; Koo, M.S.

    1992-09-22

    A compound is described having the structure ##STR1## where R preferably is ##STR2## and most preferably R.sup.3 is a closo-carborane and R.sup.2 is --H, an alkyl or aryl having 1 to about 7 carbon atoms, This invention was made with Government support under NIH Grant No. CA-37961 awarded by the Department of Health and Human Services and under the Associated Universities Inc. Contract No. De-AC02-76CH00016 with the U.S. Department of Energy. The Government has rights in this invention.

  20. Boronated porphyrin compounds

    DOE Patents [OSTI]

    Kahl, Stephen B. (Portola Valley, CA); Koo, Myoung-Seo (San Francisco, CA)

    1992-01-01

    A compound is described having the structure ##STR1## where R preferably is ##STR2## and most preferably R.sup.3 is a closo-carborane and R.sup.2 is --H, an alkyl or aryl having 1 to about 7 carbon atoms, This invention was made with Government support under NIH Grant No. CA-37961 awarded by the Department of Health and Human Services and under the Associated Universities Inc. Contract No. De-AC02-76CH00016 with the U.S. Department of Energy. The Government has rights in this invention.

  1. CHEMICAL SEPARATION OF WATER B.E. Adebona

    E-Print Network [OSTI]

    District of Columbia, University of the

    ................................................................................. Organics ......................................................................................... Organic pathogens to complex organic substances. The chemical industry during the last twenty-five years has, chlorophenols, etc.), paints, pesticides and other toxic substances are discharged into man's environment

  2. Machine Learning, Quantum Mechanics, and Chemical Compound Space

    E-Print Network [OSTI]

    Ramakrishnan, Raghunathan

    2015-01-01

    We review recent studies dealing with the generation of machine learning models of molecular and solid properties.

  3. Effects of additional nonmethane volatile organic compounds, organic nitrates, and direct emissions of oxygenated organic

    E-Print Network [OSTI]

    Sillman, Sanford

    mechanism. The model was then extended by adding emissions and photochemical reactions for aromatic isoprene. Emissions of methanol, phenol, acetic acid and formic acid associated with biomass burning were. The extended model shows improved agreement with measurements for methanol, acetic acid and peroxypropional

  4. Indoor Residential Chemical Exposures as Risk Factors for Asthma and Allergy in Infants and Children: a Review

    E-Print Network [OSTI]

    Mendell, M.J.

    2006-01-01

    organic compounds such as formaldehyde, benzene, and phthalates, indoor materials or finishes such as carpet, flexible flooring, paint,

  5. Innovative permeable cover system to reduce risks at a chemical munitions burial site

    SciTech Connect (OSTI)

    Powels, C.C.; Bon, I.; Okusu, N.M.

    1997-12-31

    An innovative permeable sand cover with various integrated systems has been designed to contain and treat the Old O-Field chemical munitions landfill at Aberdeen Proving Ground, Maryland. The 18,200 m{sup 2} (4.5 acre) landfill was used from the mid 1930s to the mid 1950s for the disposal of chemical, incendiary, and explosive munitions from domestic and foreign origins, together with contaminated wastes associated with the development and production of chemical warfare agents (CWA). The site is suspected to be contaminated with white phosphorous (WP) (which when dry, spontaneously burns when exposed to air), shock sensitive picric acid fuses and has the potential to contain large quantities of CWA-filled munitions. Historically, one to three explosions or fires occurred per ten-year period at the landfill. Such events have the potential to cause a CWA release to the environment, which could potentially affect densely populated areas. Recovery and decontamination projects conducted at the site in the late 1940s and early 1950s used large amounts of decontamination chemicals (containing solvents) and fuels which further contaminated the area. The groundwater downgradient of the landfill is contaminated with volatile organic compounds, metals, explosives and CWA degradation compounds and is currently being contained by a groundwater extraction and treatment system. This report describes a remedial action program for the site.

  6. CHEMICAL ENGINEERING AND MANUFACTURING CHEMICAL ENGINEERING

    E-Print Network [OSTI]

    Provancher, William

    CHEMICAL ENGINEERING AND MANUFACTURING CHEMICAL ENGINEERING Objective Chemical Engineers of chemicals. This lesson introduces students to one component of chemical engineering: food processing, and a chemical engineer 2. How chemical engineers are involved in food production 3. That chemical engineers need

  7. Chemical sensors

    DOE Patents [OSTI]

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1991-07-02

    Sensors responsive to small changes in the concentration of chemical species are disclosed. The sensors comprise a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment. They are operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical response. 9 figures.

  8. Classes of Chemical Reactions Reactions in aqueous media

    E-Print Network [OSTI]

    Zakarian, Armen

    Classes of Chemical Reactions Reactions in aqueous media · Precipitation reactions · Acid-Base reactions · Oxidation-Reduction reactions · Reversible reactions Classes of Chemical Reactions Water (H2O;Classes of Chemical Reactions The solubility of ionic compounds: dissociation O H H + NaCl Cl- Cl- Cl- Na

  9. A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals

    SciTech Connect (OSTI)

    Peyret, Thomas [DSEST, Universite de Montreal, Canada H3T 1A8 (Canada); Poulin, Patrick [Consultant, 4009 rue Sylvia Daoust, Quebec City, Quebec, G1X 0A6 (Canada); Krishnan, Kannan, E-mail: kannan.krishnan@umontreal.ca [DSEST, Universite de Montreal, H3T 1A8 (Canada)

    2010-12-15

    The algorithms in the literature focusing to predict tissue:blood PC (P{sub tb}) for environmental chemicals and tissue:plasma PC based on total (K{sub p}) or unbound concentration (K{sub pu}) for drugs differ in their consideration of binding to hemoglobin, plasma proteins and charged phospholipids. The objective of the present study was to develop a unified algorithm such that P{sub tb}, K{sub p} and K{sub pu} for both drugs and environmental chemicals could be predicted. The development of the unified algorithm was accomplished by integrating all mechanistic algorithms previously published to compute the PCs. Furthermore, the algorithm was structured in such a way as to facilitate predictions of the distribution of organic compounds at the macro (i.e. whole tissue) and micro (i.e. cells and fluids) levels. The resulting unified algorithm was applied to compute the rat P{sub tb}, K{sub p} or K{sub pu} of muscle (n = 174), liver (n = 139) and adipose tissue (n = 141) for acidic, neutral, zwitterionic and basic drugs as well as ketones, acetate esters, alcohols, aliphatic hydrocarbons, aromatic hydrocarbons and ethers. The unified algorithm reproduced adequately the values predicted previously by the published algorithms for a total of 142 drugs and chemicals. The sensitivity analysis demonstrated the relative importance of the various compound properties reflective of specific mechanistic determinants relevant to prediction of PC values of drugs and environmental chemicals. Overall, the present unified algorithm uniquely facilitates the computation of macro and micro level PCs for developing organ and cellular-level PBPK models for both chemicals and drugs.

  10. Resistance to Quorum Quenching Compounds1 Rodolfo Garca-Contreras1

    E-Print Network [OSTI]

    Wood, Thomas K.

    such as25 virulence and biofilm formation. Bacteria also have an incredible ability to evolve resistance to be a panacea.28 Here we review the evidence that bacteria can evolve resistance to quorum quenching compounds resistance to33 these compounds.34 Quorum sensing and quorum quenching. Bacteria use secreted chemicals

  11. Scientific contestations over "toxic trespass"ť: health and regulatory implications of chemical biomonitoring

    E-Print Network [OSTI]

    Shamasunder, Bhavna; Morello-Frosch, Rachel

    2015-01-01

    ral trends, and comparison with dioxins, dibenzofurans, andtoxic chemicals such as dioxin that took decades to complete2006) Health risks from dioxin and related compounds:

  12. Method for producing chemical energy

    DOE Patents [OSTI]

    Jorgensen, Betty S.; Danen, Wayne C.

    2004-09-21

    Fluoroalkylsilane-coated metal particles having a central metal core, a buffer layer surrounding the core, and a fluoroalkylsilane layer attached to the buffer layer are prepared by combining a chemically reactive fluoroalkylsilane compound with an oxide coated metal particle having a hydroxylated surface. The resulting fluoroalkylsilane layer that coats the particles provides them with excellent resistance to aging. The particles can be blended with oxidant particles to form energetic powder that releases chemical energy when the buffer layer is physically disrupted so that the reductant metal core can react with the oxidant.

  13. Engineering Organization Chart Assistant Dean

    E-Print Network [OSTI]

    Delene, David J.

    Engineering Organization Chart Fall `12 Assistant Dean Outreach & Recruiting Matthew Cavalli and Geological Engineering Joseph Hartman Chair, Petroleum Engineering Steve Benson Chair, Electrical Engineering Forrest Ames (interim) Chair, Mechanical Engineering Matthew Cavalli Chair, Chemical Engineering Mike Mann

  14. Chemical sensors

    DOE Patents [OSTI]

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1992-06-09

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising a mechanicochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, either operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical or optical response, or adhered to a second inert polymeric strip, or doped with a conductive material. 12 figs.

  15. DOE workshop: Sedimentary systems, aqueous and organic geochemistry

    SciTech Connect (OSTI)

    Not Available

    1993-07-01

    A DOE workshop on sedimentary systems, aqueous and organic geochemistry was held July 15-16, 1993 at Lawrence Berkeley Laboratory. Papers were organized into several sections: Fundamental Properties, containing papers on the thermodynamics of brines, minerals and aqueous electrolyte solutions; Geochemical Transport, covering 3-D imaging of drill core samples, hydrothermal geochemistry, chemical interactions in hydrocarbon reservoirs, fluid flow model application, among others; Rock-Water Interactions, with presentations on stable isotope systematics of fluid/rock interaction, fluid flow and petotectonic evolution, grain boundary transport, sulfur incorporation, tracers in geologic reservoirs, geothermal controls on oil-reservoir evolution, and mineral hydrolysis kinetics; Organic Geochemistry covered new methods for constraining time of hydrocarbon migration, kinetic models of petroleum formation, mudstones in burial diagenesis, compound-specific carbon isotope analysis of petroleums, stability of natural gas, sulfur in sedimentary organic matter, organic geochemistry of deep ocean sediments, direct speciation of metal by optical spectroscopies; and lastly, Sedimentary Systems, covering sequence stratigraphy, seismic reflectors and diagenetic changes in carbonates, geochemistry and origin of regional dolomites, and evidence of large comet or asteroid impacts at extinction boundaries.

  16. Chemicals for Plant Disease Control at Home 

    E-Print Network [OSTI]

    Ong, Kevin

    2007-10-30

    derived from plants, typically oils 3. captan N-trichloromethylthio-4-cyclohexene-1,2 dicarboximide 4. chlorothalonil tetrachloroisophthalonitrile 5. copper various chemical forms of copper compounds 6. fosetyl-al aluminum tris(O-ethylphosphonate) 7. lime...-propyl-1,3-dioxolan-2-yl]methyl]1-H-1,2,4-triazole 16. quarternary ammonium compound various forms of N-alkyl ammonium chloride 17. streptomycin sulfate streptomycin sulfate (antibiotic) 18. sulfur sulfur 19. tebuconazole alpha-(2-(4-Chlorophenyl...

  17. Chemical contaminants on DOE lands and selection of contaminant mixtures for subsurface science research

    SciTech Connect (OSTI)

    Riley, R.G.; Zachara, J.M. )

    1992-04-01

    This report identifies individual contaminants and contaminant mixtures that have been measured in the ground at 91 waste sites at 18 US Department of Energy (DOE) facilities within the weapons complex. The inventory of chemicals and mixtures was used to identify generic chemical mixtures to be used by DOE's Subsurface Science Program in basic research on the subsurface geochemical and microbiological behavior of mixed contaminants (DOE 1990a and b). The generic mixtures contain specific radionuclides, metals, organic ligands, organic solvents, fuel hydrocarbons, and polychlorinated biphenyls (PCBs) in various binary and ternary combinations. The mixtures are representative of in-ground contaminant associations at DOE facilities that are likely to exhibit complex geochemical behavior as a result of intercontaminant reactions and/or microbiologic activity stimulated by organic substances. Use of the generic mixtures will focus research on important mixed contaminants that are likely to be long-term problems at DOE sites and that will require cleanup or remediation. The report provides information on the frequency of associations among different chemicals and compound classes at DOE waste sites that require remediation.

  18. Small-Chamber Measurements of Chemical-Specific Emission Factors for Drywall

    SciTech Connect (OSTI)

    Maddalena, Randy; Russell, Marion; Apte, Michael G.

    2010-06-01

    Imported drywall installed in U.S. homes is suspected of being a source of odorous and potentially corrosive indoor pollutants. To support an investigation of those building materials by the Consumer Products Safety Commission (CPSC), Lawrence Berkeley National Laboratory (LBNL) measured chemical-specific emission factors for 30 samples of drywall materials. Emission factors are reported for 75 chemicals and 30 different drywall samples encompassing both domestic and imported stock and incorporating natural, synthetic, or mixed gypsum core material. CPSC supplied all drywall materials. First the drywall samples were isolated and conditioned in dedicated chambers, then they were transferred to small chambers where emission testing was performed. Four sampling and analysis methods were utilized to assess (1) volatile organic compounds, (2) low molecular weight carbonyls, (3) volatile sulfur compounds, and (4) reactive sulfur gases. LBNL developed a new method that combines the use of solid phase microextraction (SPME) with small emission chambers to measure the reactive sulfur gases, then extended that technique to measure the full suite of volatile sulfur compounds. The testing procedure and analysis methods are described in detail herein. Emission factors were measured under a single set of controlled environmental conditions. The results are compared graphically for each method and in detailed tables for use in estimating indoor exposure concentrations.

  19. Phenolic compounds containing/neutral fractions extract and products derived therefrom from fractionated fast-pyrolysis oils

    DOE Patents [OSTI]

    Chum, Helena L. (Arvada, CO); Black, Stuart K. (Denver, CO); Diebold, James P. (Lakewood, CO); Kreibich, Roland E. (Auburn, WA)

    1993-01-01

    A process for preparing phenol-formaldehyde novolak resins and molding compositions in which portions of the phenol normally contained in said resins are replaced by a phenol/neutral fractions extract obtained from fractionating fast-pyrolysis oils. The fractionation consists of a neutralization stage which can be carried out with aqueous solutions of bases or appropriate bases in the dry state, followed by solvent extraction with an organic solvent having at least a moderate solubility parameter and good hydrogen bonding capacity. Phenolic compounds-containing/neutral fractions extracts obtained by fractionating fast-pyrolysis oils from a lignocellulosic material, is such that the oil is initially in the pH range of 2-4, being neutralized with an aqueous bicarbonate base, and extracted into a solvent having a solubility parameter of approximately 8.4-9.11 [cal/cm.sup.3 ].sup.1/2 with polar components in the 1.8-3.0 range and hydrogen bonding components in the 2-4.8 range and the recovery of the product extract from the solvent with no further purification being needed for use in adhesives and molding compounds. The product extract is characterized as being a mixture of very different compounds having a wide variety of chemical functionalities, including phenolic, carbonyl, aldehyde, methoxyl, vinyl and hydroxyl. The use of the product extract on phenol-formaldehyde thermosetting resins is shown to have advantages over the conventional phenol-formaldehyde resins.

  20. Generation of low work function, stable compound thin films by laser ablation

    DOE Patents [OSTI]

    Dinh, Long N. (Concord, CA); McLean, II, William (Oakland, CA); Balooch, Mehdi (Berkeley, CA); Fehring, Jr., Edward J. (Dublin, CA); Schildbach, Marcus A. (Livermore, CA)

    2001-01-01

    Generation of low work function, stable compound thin films by laser ablation. Compound thin films with low work function can be synthesized by simultaneously laser ablating silicon, for example, and thermal evaporating an alkali metal into an oxygen environment. For example, the compound thin film may be composed of Si/Cs/O. The work functions of the thin films can be varied by changing the silicon/alkali metal/oxygen ratio. Low work functions of the compound thin films deposited on silicon substrates were confirmed by ultraviolet photoelectron spectroscopy (UPS). The compound thin films are stable up to 500.degree. C. as measured by x-ray photoelectron spectroscopy (XPS). Tests have established that for certain chemical compositions and annealing temperatures of the compound thin films, negative electron affinity (NEA) was detected. The low work function, stable compound thin films can be utilized in solar cells, field emission flat panel displays, electron guns, and cold cathode electron guns.

  1. Controlling the Morphology of Polymer and Fullerene Blends in Organic Photovoltaics Through Sequential Processing and Self-Assembly

    E-Print Network [OSTI]

    Aguirre, Jordan C.

    2015-01-01

    photogeneration in organic solar cells,” Chemical Reviews,recombination in organic solar cells,” Progress in Polymeropen-circuit voltage of organic solar cells,” J. Phys. Chem.

  2. Volatile organic compound emissions from Larrea tridentata (creosotebush)

    E-Print Network [OSTI]

    Jardine, K; Abrell, L; Kurc, SA; Huxman, T; Ortega, J; Guenther, A

    2010-01-01

    S. : Uptake of carbonyl sulfide (cos) and emission ofF. : The mass budgets of carbonyl sulfide, dimethyl sulfide,M. , and Mu, Y. J. : Carbonyl sulfide and dimethyl sulfide

  3. NMED COMMENTS ITEM 3 REVISE VOLATILE ORGANIC COMPOUND (VOC) TARGET...

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

    to date 308 to present SR- BCLDP.003.001 Savannah River Site This waste consists of CH Hydraulic Sludge and Debris generated by the BCLDP program during the D&D of the Building...

  4. Volatile Organic Compound Emissions from Dairy Cows and

    E-Print Network [OSTI]

    Goldstein, Allen

    , California 94720, and Department of Animal Science, University of California, Davis, Davis, California 95616 of California Senate Bill 700. The proposed SJV Air District Rule 4570 intends to reduce VOC emissions from

  5. Method for isotopic analysis of chlorinated organic compounds

    DOE Patents [OSTI]

    Holt, B.D.; Sturchio, N.C.

    1999-08-24

    The present invention provides a method for preparing a VOC sample for carbon and chlorine isotope ratio analysis by mass spectrometer. A VOC sample is placed in a combustion tube and reacted with CuO to form CO{sub 2} and CuCl. The CO{sub 2} is then extracted and analyzed for the carbon isotope ratio. The CuCl is separated from the excess CuO and reacted with CH{sub 3}I to form CH{sub 3}Cl, extracted and analyzed for chlorine isotope ratio. 9 figs.

  6. A biogenic volatile organic compound emission inventory for Hong Kong

    E-Print Network [OSTI]

    Tsui, JK-Y; Guenther, A; Yip, W-K; Chen, F

    2009-01-01

    isoprene emissions from 15 Eucalyptus species in Australia.Cinnamomum camphora Cyclobalanopsis edithiae Eucalyptuscitriodora Eucalyptus robusta Eucalyptus torelliana Ficus

  7. Modeling Emissions of Volatile Organic Compounds from New Carpets

    E-Print Network [OSTI]

    Little, J.C.

    2008-01-01

    BPt Name (abbreviation) Styrene (STY) Ethylbenzene andthe study carpets that have a styrene-butadiene rubber (SBR)coefficient, polymer backing, styrene-butadiene rubber,

  8. Nanoparticle Formation of Organic Compounds With Retained Biological Activity

    E-Print Network [OSTI]

    Zare, Richard N.

    .58C and 75.8 bar). Supercritical carbon dioxide (SC-CO2) is also nonflammable and inexpensive.6 to be formed as well as control of the size distribution.7 Moreover, SC-CO2 antisolvent precipitation is highly of supercritical carbon dioxide as an antisolvent for meeting this need for two model drug systems, quercetin

  9. Control of spider mites on cotton by organic sulphur compounds 

    E-Print Network [OSTI]

    King, Charles Edward

    1954-01-01

    Toxicity tests ............. .................. . 23 Ovicidal t e sts...................................... 25 Residual toxicity tests............................... 26 Calculation of dosage-mortality curves ......... ? ? ? ? ? 28 Results... and Discussions . . . . ........... . . . . . . . . . 38 Toxicity tests 1950-1951.............. ...............38 Toxicity tests 1951-1952 .............. ............... 51 Ovicidal tests ............ ......................... 52 Residual t e...

  10. Modeling Emissions of Volatile Organic Compounds from New Carpets

    E-Print Network [OSTI]

    Little, J.C.

    2008-01-01

    carpets that have a styrene-butadiene rubber (SBR) backing,polymer backing, styrene-butadiene rubber, environmentalbacking with styrene-butadiene rubber (SBR) latex adhesive.

  11. The Effect of Organic Compounds in Pot Experiments. 

    E-Print Network [OSTI]

    Fraps, G. S.

    1915-01-01

    11H, 5100, 5700, 5937 and 5710, and has little effect on 5947 and 5948. The ft:rtilizer acl .ditions are beneficia.l to practica.lly all the soils and produce decided increases. The soilf:l tested were practically all poor soi1R. The conclusion is...

  12. Hydrogen-Evolving Organic Compounds - Energy Innovation Portal

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would likeUniverse (JournalvivoHighHussein Khalil HusseinH2FASTCELL TECHNOLOGIESCoal

  13. Energy Saving System to Remove Volatile Organic Compounds (VOCs) from

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power Administration would like submitKansasCommunities EnergyU.S. DOE Office of99Saving Gift Ideas for Dad

  14. The design of new ligands and transition metal compounds for the oxidation of organic compounds 

    E-Print Network [OSTI]

    Grill, Joseph Michael

    2009-06-02

    A review of metal-mediated epoxidation is given. Jacobsen's catalyst and the Sharpless asymmetric epoxidation catalyst are discussed. The origins of enantioselectivity are explained using stereochemical models. Several new ...

  15. Intercalation compounds and electrodes for batteries

    DOE Patents [OSTI]

    Chiang, Yet-Ming; Sadoway, Donald R.; Jang, Young-Il; Huang, Biyan

    2004-09-07

    This invention concerns intercalation compounds and in particular lithium intercalation compounds which have improved properties for use in batteries. Compositions of the invention include particulate metal oxide material having particles of multicomponent metal oxide, each including an oxide core of at least first and second metals in a first ratio, and each including a surface coating of metal oxide or hydroxide that does not include the first and second metals in the first ratio formed by segregation of at least one of the first and second metals from the core. The core may preferably comprise Li.sub.x M.sub.y N.sub.z O.sub.2 wherein M and N are metal atom or main group elements, x, y and z are numbers from about 0 to about 1 and y and z are such that a formal charge on M.sub.y N.sub.z portion of the compound is (4-x), and having a charging voltage of at least about 2.5V. The invention may also be characterized as a multicomponent oxide microstructure usable as a lithium intercalation material including a multiphase oxide core and a surface layer of one material, which is a component of the multiphase oxide core, that protects the underlying intercalation material from chemical dissolution or reaction. In a particular preferred example the multicomponent oxide may be an aluminum-doped lithium manganese oxide composition. Such aluminum-doped lithium manganese oxide compositions, having an orthorhombic structure, also form a part of the invention. In addition, the invention includes articles, particularly electrodes, for batteries formed from the compositions of the invention, and batteries including such electrodes. The invention further relates to a composite intercalation material comprising at least two compounds in which at least one compound has an orthorhombic structure Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2, where y is nonzero, or a mixture of orthorhombic and monoclinic Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2.

  16. Polishing compound for plastic surfaces

    DOE Patents [OSTI]

    Stowell, M.S.

    1995-08-22

    A polishing compound for plastic surfaces is disclosed. The compound contains by weight approximately 4 to 17 parts at least one petroleum distillate lubricant, 1 to 6 parts mineral spirits, 2.5 to 15 parts abrasive particles, and 2.5 to 10 parts water. The abrasive is tripoli or a similar material that contains fine particles silica. Preferably, most of the abrasive particles are less than approximately 10 microns, more preferably less than approximately 5 microns in size. The compound is used on PLEXIGLAS{trademark}, LEXAN{trademark}, LUCITE{trademark}, polyvinyl chloride (PVC) and similar plastic materials whenever a smooth, clear polished surface is desired. 5 figs.

  17. Polishing compound for plastic surfaces

    DOE Patents [OSTI]

    Stowell, Michael S. (New Ellenton, SC)

    1995-01-01

    A polishing compound for plastic surfaces. The compound contains by weight approximately 4 to 17 parts at least one petroleum distillate lubricant, 1 to 6 parts mineral spirits, 2.5 to 15 parts abrasive particles, and 2.5 to 10 parts water. The abrasive is tripoli or a similar material that contains fine particles silica. Preferably, most of the abrasive particles are less than approximately 10 microns, more preferably less than approximately 5 microns in size. The compound is used on PLEXIGLAS.TM., LEXAN.TM., LUCITE.TM., polyvinyl chloride (PVC) and similar plastic materials whenever a smooth, clear polished surface is desired.

  18. Polishing compound for plastic surfaces

    DOE Patents [OSTI]

    Stowell, M.S.

    1993-01-01

    A polishing compound for plastic surfaces is disclosed. The compound contains by weight approximately 4 to 17 parts at least one petroleum distillate lubricant, 1 to 6 parts mineral spirits, 2.5 to 15 parts abrasive particles, and 2.5 to 10 parts water. The abrasive is tripoli or a similar material that contains colloidal silica. Preferably, most of the abrasive particles are less than approximately 10 microns, more preferably less than approximately 5 microns in size. The compound is used on PLEXIGLAS{sup TM}, LEXAN{sup TM}, LUCITE{sup TM}, polyvinyl chloride (PVC) and similar plastic materials whenever a smooth, clear polished surface is desired.

  19. Comparing three vegetation monoterpene emission models to measured gas concentrations with a model of meteorology, air chemistry and chemical transport

    SciTech Connect (OSTI)

    Smolander, S.; He, Q.; Mogensen, Ditte; Zhou, L.; Back, J.; Ruuskanen, T.; Noe, S.; Guenther, Alex B.; Aaltonen, H.; Kulmala, M.; Boy, Michael

    2014-10-07

    Biogenic volatile organic compounds (BVOCs) are essential in atmospheric chemistry because of their chemical reactions that produce and destroy tropospheric ozone, their effects on aerosol formation and growth, and their potential influence on global warming. As one of the important BVOC groups, monoterpenes have been a focus of scientific attention in atmospheric research. Detailed regional measurements and model estimates are needed to study emission potential and the monoterpene budget on a global scale. Since the use of empirical measurements for upscaling is limited by many physical and biological factors such as genetic variation, temperature and light, water availability, seasonal changes, and environmental stresses, comprehensive inventories over larger areas are difficult to obtain.

  20. Compound-Specific Radiocarbon Analyses of Phospholipid Fatty Acids and n-Alkanes in Ocean Sediments

    E-Print Network [OSTI]

    2010-01-01

    Monica Basin surface sediment: a model based on compound-ACIDS AND n-ALKANES IN OCEAN SEDIMENTS Ellen R M Druffel 1 •organic matter in ocean sediments from the northeast Pacific

  1.  COMPOUND-SPECIFIC RADIOCARBON ANALYSES OF PHOSPHOLIPID FATTY ACIDS AND n -ALKANES IN OCEAN SEDIMENTS

    E-Print Network [OSTI]

    2010-01-01

    Monica Basin surface sediment: a model based on compound-ACIDS AND n-ALKANES IN OCEAN SEDIMENTS Ellen R M Druffel 1 •organic matter in ocean sediments from the northeast Pacific

  2. Organic Separation Test Results

    SciTech Connect (OSTI)

    Russell, Renee L.; Rinehart, Donald E.; Peterson, Reid A.

    2014-09-22

    Separable organics have been defined as “those organic compounds of very limited solubility in the bulk waste and that can form a separate liquid phase or layer” (Smalley and Nguyen 2013), and result from three main solvent extraction processes: U Plant Uranium Recovery Process, B Plant Waste Fractionation Process, and Plutonium Uranium Extraction (PUREX) Process. The primary organic solvents associated with tank solids are TBP, D2EHPA, and NPH. There is concern that, while this organic material is bound to the sludge particles as it is stored in the tanks, waste feed delivery activities, specifically transfer pump and mixer pump operations, could cause the organics to form a separated layer in the tank farms feed tank. Therefore, Washington River Protection Solutions (WRPS) is experimentally evaluating the potential of organic solvents separating from the tank solids (sludge) during waste feed delivery activities, specifically the waste mixing and transfer processes. Given the Hanford Tank Waste Treatment and Immobilization Plant (WTP) waste acceptance criteria per the Waste Feed Acceptance Criteria document (24590-WTP-RPT-MGT-11-014) that there is to be “no visible layer” of separable organics in the waste feed, this would result in the batch being unacceptable to transfer to WTP. This study is of particular importance to WRPS because of these WTP requirements.

  3. Chemical Occurrences

    Broader source: Energy.gov [DOE]

    Classification of Chemical Occurrence Reports into the following four classes: Occurrences characterized by serious energy release, injury or exposure requiring medical treatment, or severe environmental damage, Occurrences characterized by minor injury or exposure, or reportable environmental release, Occurrences that were near misses including notable safety violations and Minor occurrences.

  4. Chemical Evolution

    E-Print Network [OSTI]

    Francesca Matteucci

    2007-04-05

    In this series of lectures we first describe the basic ingredients of galactic chemical evolution and discuss both analytical and numerical models. Then we compare model results for the Milky Way, Dwarf Irregulars, Quasars and the Intra-Cluster- Medium with abundances derived from emission lines. These comparisons allow us to put strong constraints on the stellar nucleosynthesis and the mechanisms of galaxy formation.

  5. Method for treatment of soils contaminated with organic pollutants

    DOE Patents [OSTI]

    Wickramanayake, Godage B. (Cranbury, NJ)

    1993-01-01

    A method for treating soil contaminated by organic compounds wherein an ozone containing gas is treated with acid to increase the stability of the ozone in the soil environment and the treated ozone applied to the contaminated soil to decompose the organic compounds. The soil may be treated in situ or may be removed for treatment and refilled.

  6. Polishing compound for plastic surfaces

    DOE Patents [OSTI]

    Stowell, M.S.

    1991-01-01

    This invention is comprised of a polishing compound for plastic materials. The compound includes approximately by approximately by weight 25 to 80 parts at least one petroleum distillate lubricant, 1 to 12 parts mineral spirits, 50 to 155 parts abrasive paste, and 15 to 60 parts water. Preferably, the compound includes approximately 37 to 42 parts at least one petroleum distillate lubricant, up to 8 parts mineral spirits, 95 to 110 parts abrasive paste, and 50 to 55 parts water. The proportions of the ingredients are varied in accordance with the particular application. The compound is used on PLEXIGLAS{trademark}, LEXAN{trademark}, LUCITE{trademark}, polyvinyl chloride (PVC), and similar plastic materials whenever a smooth, clear polished surface is desired.

  7. 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.

  8. COMBUSTION SOURCES OF NITROGEN COMPOUNDS

    E-Print Network [OSTI]

    Brown, Nancy J.

    2011-01-01

    Rasmussen, R.A. (1976). Combustion as a source of nitrousx control for stationary combustion sources. Prog. Energy,CA, March 3-4, 1977 COMBUSTION SOURCES OF NITROGEN COMPOUNDS

  9. Institute for Atom-Efficient Chemical Transformations Energy...

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

    provides links to each partner's participating organizations. Argonne National Laboratory Chemical Sciences and Engineering Division Center for Nanoscale Materials Energy Systems...

  10. TCD-IISc Symposium "Chemistry & Chemical Biology"

    E-Print Network [OSTI]

    O'Mahony, Donal E.

    actinide chemistry, with a focus on coordination and organometallic uranium chemistry. Paula ColavitaTCD-IISc Symposium "Chemistry & Chemical Biology" Trinity College Clive Williams, Dean of Chemistry. Research areas include supramolecular organic and inorganic chemistry and medicinal chemistry

  11. Method for digesting a nitro-bearing explosive compound

    DOE Patents [OSTI]

    Shah, Manish M. (Richland, WA)

    2000-01-01

    The present invention is a process wherein superoxide radicals from superoxide salt are used to break down the explosive compounds. The process has an excellent reaction rate for degrading explosives, and operates at ambient temperature and atmospheric pressure in aqueous or non-aqueous conditions. Because the superoxide molecules are small, much smaller than an enzyme molecule for example, they can penetrate the microstructure of plastic explosives faster. The superoxide salt generates reactive hydroxyl radicals, which can destroy other organic contaminants, if necessary, along with digesting the explosive nitro-bearing compound.

  12. CHEMICAL STORAGE SEGREGATION GUIDELINES In order to store chemicals properly, they must be segregated based on the associated hazard. Never

    E-Print Network [OSTI]

    Natelson, Douglas

    or plastic secondary container. Organic acids ­ Acetic acid, trichloroacetic acid, lactic acid Flammable ­ WATER REACTIVE CHEMICAL - Sodium metal, potassium metal, lithium metal, lithium aluminum hydride

  13. Chemical Technology Division annual technical report, 1990

    SciTech Connect (OSTI)

    Not Available

    1991-05-01

    Highlights of the Chemical Technology (CMT) Division's activities during 1990 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for coal- fired magnetohydrodynamics and fluidized-bed combustion; (3) methods for recovery of energy from municipal waste and techniques for treatment of hazardous organic waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for a high-level waste repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams, concentrating plutonium solids in pyrochemical residues by aqueous biphase extraction, and treating natural and process waters contaminated by volatile organic compounds; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (IFR); (7) processes for removal of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also has a program in basic chemistry research in the areas of fluid catalysis for converting small molecules to desired products; materials chemistry for superconducting oxides and associated and ordered solutions at high temperatures; interfacial processes of importance to corrosion science, high-temperature superconductivity, and catalysis; and the geochemical processes responsible for trace-element migration within the earth's crust. The Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the scientific and engineering programs at Argonne National Laboratory (ANL). 66 refs., 69 figs., 6 tabs.

  14. Towards Heavy Fermions in Europium Intermetallic Compounds

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

    in Europium Intermetallic Compounds Print For decades, intermetallic compounds of rare-earth metals have been favorite systems of the research community studying strong electron...

  15. Process for production of a borohydride compound

    DOE Patents [OSTI]

    Chin, Arthur Achhing; Jain, Puja; Linehan, Suzanne; Lipiecki, Francis Joseph; Maroldo, Stephen Gerard; November, Samuel J; Yamamoto, John Hiroshi

    2013-02-19

    A process for production of a borohydride compound. The process comprises combining a compound comprising boron and oxygen with an adduct of alane.

  16. Compatibilization/Compounding Evaluation of Recovered Polymers...

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

    CompatibilizationCompounding Evaluation of Recovered Polymers CompatibilizationCompounding Evaluation of Recovered Polymers Presentation from the U.S. DOE Office of Vehicle...

  17. Chemical Innovation in Drug Dr Matthew Fuchter

    E-Print Network [OSTI]

    that populate `chemical space' has been estimated to exceed 1060 ! #12;Natural Products in Medicine M. A. Koch Oil. · Papaver somniferum: Morphine. ·"The fruit thereof shall be for meat, and the leaf thereof compounds. ·One hypothesis of the success of natural products is the inherent biological relevance

  18. The Chemical Table: An Open Dialog between Visualization and Design Francis T. Marchese

    E-Print Network [OSTI]

    Marchese, Francis

    for the organization of information in general. Chemical tables and charts are visual representations of chemical a historical context to investigate the purpose of chemical tables and charts, and suggests reasons why the two years ago as a tool to organize and visualize chemical reactivity, these tables have evolved

  19. Density Functional Theory for High-Throughput Screening of Chemicals and Materials

    E-Print Network [OSTI]

    Fu, Jia

    2015-01-01

    organic compounds and gas storage capabilities in nanoporousof materials for gas storage has been rather limited becausefree energy and gas storage and transport properties in

  20. Method of digesting an explosive nitro compound

    DOE Patents [OSTI]

    Shah, Manish M. (Richland, WA)

    2000-01-01

    The present invention is a process wherein bleaching oxidants are used to digest explosive nitro compounds. The process has an excellent reaction rate for digesting explosives and operates under multivariate conditions. Reaction solutions may be aqueous, non-aqueous or a combination thereof, and can also be any pH, but preferably have a pH between 2 and 9. The temperature may be ambient as well as any temperature above which freezing of the solution would occur and below which any degradation of the bleaching oxidant would occur or below which any explosive reaction would be initiated. The pressure may be any pressure, but is preferably ambient or atmospheric, or a pressure above a vapor pressure of the aqueous solution to avoid boiling of the solution. Because the bleaching oxidant molecules are small, much smaller than an enzyme molecule for example, they can penetrate the microstructure of plastic explosives faster. The bleaching oxidants generate reactive hydroxyl radicals, which can destroy other organic contaminants, if necessary, along with digesting the explosive nitro compound.

  1. Organics Characterization Of DWPF Alternative Reductant Simulants, Glycolic Acid, And Antifoam 747

    SciTech Connect (OSTI)

    White, T. L.; Wiedenman, B. J.; Lambert, D. P.; Crump, S. L.; Fondeur, F. F.; Papathanassiu, A. E.; Kot, W. K.; Pegg, I. L.

    2013-10-01

    The present study examines the fate of glycolic acid and other organics added in the Chemical Processing Cell (CPC) of the Defense Waste Processing Facility (DWPF) as part of the glycolic alternate flowsheet. Adoption of this flowsheet is expected to provide certain benefits in terms of a reduction in the processing time, a decrease in hydrogen generation, simplification of chemical storage and handling issues, and an improvement in the processing characteristics of the waste stream including an increase in the amount of nitrate allowed in the CPC process. Understanding the fate of organics in this flowsheet is imperative because tank farm waste processed in the CPC is eventually immobilized by vitrification; thus, the type and amount of organics present in the melter feed may affect optimal melt processing and the quality of the final glass product as well as alter flammability calculations on the DWPF melter off gas. To evaluate the fate of the organic compounds added as the part of the glycolic flowsheet, mainly glycolic acid and antifoam 747, samples of simulated waste that was processed using the DWPF CPC protocol for tank farm sludge feed were generated and analyzed for organic compounds using a variety of analytical techniques at the Savannah River National Laboratory (SRNL). These techniques included Ion Chromatography (IC), Gas Chromatography-Mass Spectrometry (GC-MS), Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES), and Nuclear Magnetic Resonance (NMR) Spectroscopy. A set of samples were also sent to the Catholic University of America Vitreous State Laboratory (VSL) for analysis by NMR Spectroscopy at the University of Maryland, College Park. Analytical methods developed and executed at SRNL collectively showed that glycolic acid was the most prevalent organic compound in the supernatants of Slurry Mix Evaporator (SME) products examined. Furthermore, the studies suggested that commercially available glycolic acid contained minor amounts of impurities such as formic and diglycolic acid that were then carried over in the SME products. Oxalic acid present in the simulated tank farm waste was also detected. Finally, numerous other compounds, at low concentrations, were observed present in etheric extracts of aqueous supernate solutions of the SME samples and are thought to be breakdown products of antifoam 747. The data collectively suggest that although addition of glycolic acid and antifoam 747 will introduce a number of impurities and breakdown products into the melter feed, the concentrations of these organics is expected to remain low and may not significantly impact REDOX or off-gas flammability predictions. In the SME products examined presently, which contained variant amounts of glycolic acid and antifoam 747, no unexpected organic degradation product was found at concentrations above 500 mg/kg, a reasonable threshold concentration for an organic compound to be taken into account in the REDOX modeling. This statement does not include oxalic or formic acid that were sometimes observed above 500 mg/kg and acetic acid that has an analytical detection limit of 1250 mg/kg due to high glycolate concentration in the SME products tested. Once a finalized REDOX equation has been developed and implemented, REDOX properties of known organic species will be determined and their impact assessed. Although no immediate concerns arose during the study in terms of a negative impact of organics present in SME products of the glycolic flowsheet, evidence of antifoam degradation suggest that an alternative antifoam to antifoam 747 is worth considering. The determination and implementation of an antifoam that is more hydrolysis resistant would have benefits such as increasing its effectiveness over time and reducing the generation of degradation products.

  2. Chemical Approaches for Functionally Probing the Proteome*S

    E-Print Network [OSTI]

    Bogyo, Matthew

    pre-defined target. Lead compounds are often identified from large chemical libraries using to prove valuable, a great deal of effort is still required to define the function of individual gene to manipulate the activity of protein targets (7, 8). This "chemical genetic" approach makes use of libraries

  3. Chemical Shielding Tensors for a Silicon-Carbon Double Bond

    E-Print Network [OSTI]

    Apeloig, Yitzhak

    Chemical Shielding Tensors for a Silicon-Carbon Double Bond Jarrod J. Buffy, Robert West,*, Michael of NMR chemical shielding tensors (CST) have been important in aiding the understanding of the nature shielding tensors have been reported and interpreted for compounds containing SidSi,1 PdP,2 SndSn,3 Cd

  4. Capture and release of mixed acid gasses with binding organic liquids

    DOE Patents [OSTI]

    Heldebrant, David J. (Richland, WA); Yonker, Clement R. (Kennewick, WA)

    2010-09-21

    Reversible acid-gas binding organic liquid systems that permit separation and capture of one or more of several acid gases from a mixed gas stream, transport of the liquid, release of the acid gases from the ionic liquid and reuse of the liquid to bind more acid gas with significant energy savings compared to current aqueous systems. These systems utilize acid gas capture compounds made up of strong bases and weak acids that form salts when reacted with a selected acid gas, and which release these gases when a preselected triggering event occurs. The various new materials that make up this system can also be included in various other applications such as chemical sensors, chemical reactants, scrubbers, and separators that allow for the specific and separate removal of desired materials from a gas stream such as flue gas.

  5. Chemical Science

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory of raregovAboutRecoveryplanning CareerNationalCNMSTHEmaterials |Chemical

  6. In-situ deposition of high-k dielectrics on III-V compound semiconductor in MOCVD system

    E-Print Network [OSTI]

    Cheng, Cheng-Wei, Ph.D. Massachusetts Institute of Technology

    2010-01-01

    In situ deposition of high-k materials to passivate the GaAs in metal organic chemical vapor deposition (MOCVD) system was well demonstrated. Both atomic layer deposition (ALD) and chemical vapor deposition (CVD) methods ...

  7. Polybenzimidazole compounds, polymeric media, and methods of post-polymerization modifications

    DOE Patents [OSTI]

    Klaehn, John R. (Idaho Falls, ID); Peterson, Eric S. (Idaho Falls, ID); Wertsching, Alan K. (Idaho Falls, ID); Orme, Christopher J. (Shelley, ID); Luther, Thomas A. (Idaho Falls, ID); Jones, Michael G. (Pocatello, ID)

    2007-08-21

    A PBI compound includes imidazole nitrogens at least a portion of which are substituted with an organic-inorganic hybrid moiety. At least 85% of the imidazole nitrogens may be substituted. The organic-inorganic hybrid moiety may be an organosilane moiety, for example, (R)Me.sub.2SiCH.sub.2-- where R is selected from among methyl, phenyl, vinyl, and allyl. The PBI compound may exhibit similar thermal properties in comparison to the unsubstituted PBI. The PBI compound may exhibit a solubility in an organic solvent greater than the solubility of the unsubstituted PBI. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may occur at about room temperature and/or at about atmospheric pressure. Substituting may use at least 5 equivalents in relation to the imidazole nitrogens to be substituted or, preferably, about 15.

  8. Limited effect of anthropogenic nitrogen oxides on secondary organic aerosol formation

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

    Zheng, Y.; Unger, N.; Hodzic, A.; Emmons, L.; Knote, C.; Tilmes, S.; Lamarque, J.-F.; Yu, P.

    2015-12-08

    Globally, secondary organic aerosol (SOA) is mostly formed from emissions of biogenic volatile organic compounds (VOCs) by vegetation, but it can be modified by human activities as demonstrated in recent research. Specifically, nitrogen oxides (NOx = NO + NO2) have been shown to play a critical role in the chemical formation of low volatility compounds. We have updated the SOA scheme in the global NCAR (National Center for Atmospheric Research) Community Atmospheric Model version 4 with chemistry (CAM4-chem) by implementing a 4-product volatility basis set (VBS) scheme, including NOx-dependent SOA yields and aging parameterizations. Small differences are found for themore »no-aging VBS and 2-product schemes; large increases in SOA production and the SOA-to-OA ratio are found for the aging scheme. The predicted organic aerosol amounts capture both the magnitude and distribution of US surface annual mean measurements from the Interagency Monitoring of Protected Visual Environments (IMPROVE) network by 50 %, and the simulated vertical profiles are within a factor of 2 compared to aerosol mass spectrometer (AMS) measurements from 13 aircraft-based field campaigns across different regions and seasons. We then perform sensitivity experiments to examine how the SOA loading responds to a 50 % reduction in anthropogenic nitric oxide (NO) emissions in different regions. We find limited SOA reductions of 0.9–5.6, 6.4–12.0 and 0.9–2.8 % for global, southeast US and Amazon NOx perturbations, respectively. The fact that SOA formation is almost unaffected by changes in NOx can be largely attributed to a limited shift in chemical regime, to buffering in chemical pathways (low- and high-NOx pathways, O3 versus NO3-initiated oxidation) and to offsetting tendencies in the biogenic versus anthropogenic SOA responses.« less

  9. Chemically modified carbonic anhydrases useful in carbon capture systems

    DOE Patents [OSTI]

    Novick, Scott J; Alvizo, Oscar

    2013-10-29

    The present disclosure relates to chemically modified carbonic anhydrase polypeptides and soluble compositions, homogenous liquid formulations comprising them. The chemically modified carbonic anhydrase polypeptides have improved properties relative to the same carbonic anhydrase polypeptide that is not chemically modified including the improved properties of increased activity and/or stability in the presence of amine compounds, ammonia, or carbonate ion. The present disclosure also provides methods of preparing the chemically modified polypeptides and methods of using the chemically modified polypeptides for accelerating the absorption of carbon dioxide from a gas stream into a solution as well as for the release of the absorbed carbon dioxide for further treatment and/or sequestering.

  10. Chemically modified carbonic anhydrases useful in carbon capture systems

    DOE Patents [OSTI]

    Novick, Scott; Alvizo, Oscar

    2013-01-15

    The present disclosure relates to chemically modified carbonic anhydrase polypeptides and soluble compositions, homogenous liquid formulations comprising them. The chemically modified carbonic anhydrase polypeptides have improved properties relative to the same carbonic anhydrase polypeptide that is not chemically modified including the improved properties of increased activity and/or stability in the presence of amine compounds, ammonia, or carbonate ion. The present disclosure also provides methods of preparing the chemically modified polypeptides and methods of using the chemically modified polypeptides for accelerating the absorption of carbon dioxide from a gas stream into a solution as well as for the release of the absorbed carbon dioxide for further treatment and/or sequestering.

  11. CONVERSION; FLUORINE COMPOUNDS; SYNTHESIS; FUEL CELLS; ELECTROLYTES...

    Office of Scientific and Technical Information (OSTI)

    OXYGEN; REDUCTION; SOLUBILITY; SULFONIC ACIDS; ADDITIVES; CHEMICAL REACTION KINETICS; ELECTRIC CONDUCTIVITY; OPTIMIZATION; PROGRESS REPORT; CHEMICAL REACTIONS; DIRECT ENERGY...

  12. Articles of protective clothing adapted for deflecting chemical permeation and methods therefor

    DOE Patents [OSTI]

    Vo-Dinh, Tuan (Knoxville, TN)

    1996-01-01

    Apparatus and methods for detecting the permeation of hazardous or toxic chemicals through protective clothing are disclosed. The hazardous or toxic chemicals of interest do not possess the spectral characteristic of luminescence. The apparatus and methods utilize a spectrochemical modification technique to detect the luminescence quenching of an indicator compound which upon permeation of the chemical through the protective clothing, the indicator is exposed to the chemical, thus indicating chemical permeation.

  13. Articles of protective clothing adapted for deflecting chemical permeation and methods there for

    DOE Patents [OSTI]

    Vo-Dinh, T.

    1996-02-27

    Apparatus and methods for detecting the permeation of hazardous or toxic chemicals through protective clothing are disclosed. The hazardous or toxic chemicals of interest do not possess the spectral characteristic of luminescence. The apparatus and methods utilize a spectrochemical modification technique to detect the luminescence quenching of an indicator compound which upon permeation of the chemical through the protective clothing, the indicator is exposed to the chemical, thus indicating chemical permeation. 12 figs.

  14. Chemical Accelerators The phrase "chemical accelerators"

    E-Print Network [OSTI]

    Meetings Chemical Accelerators The phrase "chemical accelerators" is scarcely older than for one or two dozen people grew to include nearly a hundred. Chemical accelerators is a name sug- gested by one of us for devices that produce beams of chemically interesting species at relative kinetic

  15. Laboratory Studies of the Reactive Chemistry and Changing CCN Properties of Secondary Organic Aerosol, Including Model Development

    SciTech Connect (OSTI)

    Scot Martin

    2013-01-31

    The chemical evolution of secondary-organic-aerosol (SOA) particles and how this evolution alters their cloud-nucleating properties were studied. Simplified forms of full Koehler theory were targeted, specifically forms that contain only those aspects essential to describing the laboratory observations, because of the requirement to minimize computational burden for use in integrated climate and chemistry models. The associated data analysis and interpretation have therefore focused on model development in the framework of modified kappa-Koehler theory. Kappa is a single parameter describing effective hygroscopicity, grouping together several separate physicochemical parameters (e.g., molar volume, surface tension, and van't Hoff factor) that otherwise must be tracked and evaluated in an iterative full-Koehler equation in a large-scale model. A major finding of the project was that secondary organic materials produced by the oxidation of a range of biogenic volatile organic compounds for diverse conditions have kappa values bracketed in the range of 0.10 +/- 0.05. In these same experiments, somewhat incongruently there was significant chemical variation in the secondary organic material, especially oxidation state, as was indicated by changes in the particle mass spectra. Taken together, these findings then support the use of kappa as a simplified yet accurate general parameter to represent the CCN activation of secondary organic material in large-scale atmospheric and climate models, thereby greatly reducing the computational burden while simultaneously including the most recent mechanistic findings of laboratory studies.

  16. Reactive processing of formaldehyde and acetaldehyde in aqueous aerosol mimics: Surface tension depression and secondary organic products

    E-Print Network [OSTI]

    Li, Zhi; Sareen, Neha; McNeill, V Faye

    2011-01-01

    The reactive uptake of carbonyl-containing volatile organic compounds (cVOCs) by aqueous atmospheric aerosols is a likely source of particulate organic material. The aqueous-phase secondary organic products of some cVOCs are surface-active. Therefore, cVOC uptake can lead to organic film formation at the gas-aerosol interface and changes in aerosol surface tension. We examined the chemical reactions of two abundant cVOCs, formaldehyde and acetaldehyde, in water and aqueous ammonium sulfate (AS) solutions mimicking tropospheric aerosols. Secondary organic products were identified using Aerosol Chemical Ionization Mass Spectrometry (Aerosol-CIMS), and changes in surface tension were monitored using pendant drop tensiometry. Hemiacetal oligomers and aldol condensation products were identified using Aerosol-CIMS. A hemiacetal sulfate ester was tentatively identified in the formaldehyde-AS system. Acetaldehyde depresses surface tension to 65(\\pm2) dyn/cm in pure water and 62(\\pm1) dyn/cm in AS solutions. Surface t...

  17. Chemicals for tomorrow J. Ranke, B. Jastorff

    E-Print Network [OSTI]

    Koenig, Friederike - Fachbereich 2 Biologie

    analysis ·Transdisciplinary evaluation of risks ·Undergraduate courses: ,,SAR of organic compounds" ,,The to support evaluations on a weak factual basis, but with high relevance? SOME THOUGHTS ON RISK INDICATORS risks to the biosphere. BUSINESS CUSTOMER LEGAL ENVIRONMENT PUBLIC BIOSPHERE Sustainable Relationship

  18. Organic aerogel microspheres

    DOE Patents [OSTI]

    Mayer, Steven T. (San Leandro, CA); Kong, Fung-Ming (Pleasanton, CA); Pekala, Richard W. (Pleasant Hill, CA); Kaschmitter, James L. (Pleasanton, CA)

    1999-01-01

    Organic aerogel microspheres which can be used in capacitors, batteries, thermal insulation, adsorption/filtration media, and chromatographic packings, having diameters ranging from about 1 micron to about 3 mm. The microspheres can be pyrolyzed to form carbon aerogel microspheres. This method involves stirring the aqueous organic phase in mineral oil at elevated temperature until the dispersed organic phase polymerizes and forms nonsticky gel spheres. The size of the microspheres depends on the collision rate of the liquid droplets and the reaction rate of the monomers from which the aqueous solution is formed. The collision rate is governed by the volume ratio of the aqueous solution to the mineral oil and the shear rate, while the reaction rate is governed by the chemical formulation and the curing temperature.

  19. Organic aerogel microspheres

    SciTech Connect (OSTI)

    Mayer, S.T.; Kong, F.M.; Pekala, R.W.; Kaschmitter, J.L.

    1999-06-01

    Organic aerogel microspheres are disclosed which can be used in capacitors, batteries, thermal insulation, adsorption/filtration media, and chromatographic packings, having diameters ranging from about 1 micron to about 3 mm. The microspheres can be pyrolyzed to form carbon aerogel microspheres. This method involves stirring the aqueous organic phase in mineral oil at elevated temperature until the dispersed organic phase polymerizes and forms nonstick gel spheres. The size of the microspheres depends on the collision rate of the liquid droplets and the reaction rate of the monomers from which the aqueous solution is formed. The collision rate is governed by the volume ratio of the aqueous solution to the mineral oil and the shear rate, while the reaction rate is governed by the chemical formulation and the curing temperature.

  20. Fiber optic spectrochemical emission sensor: Detection of volatile chlorinated compounds in air and water using ultra-thin membranes

    SciTech Connect (OSTI)

    Anheier, N.C. Jr.; Olsen, K.B.; Osantowski, R.E.; Evans, J.C. Jr.; Griffin, J.W.

    1993-05-01

    Prior work on the fiber optic spectrochemical emission sensor called HaloSnif{trademark} has been extended to include an ultra-thin membrane which allows passage of volatile organic chlorinated compounds (VOCl). The membrane has been demonstrated to exclude H{sub 2}O during VOCl monitoring. The system is capable of measuring VOCl in gas-phase samples or aqueous solutions over a wide linear dynamic range. The lower limit of detection for trichloroethylene (TCE), perchloroethylene (PCE), carbon tetrachloride (CCl{sub 4}), and other related compounds in the gas-phase is 1 to 5 ppm{sub v/v}, and in the aqueous-phase is 5 to 10 mg/L. Waste site characterization and remediation activities often require chemical analysis in the vadose zone and in groundwater. These analyses are typically performed in analytical laboratories using widely accepted standardized methods such as gas chromatography, gas chromatography/mass spectrometry. The new developments with HaloSnif provide rapid field screening which can augment the standardized methods.

  1. Common Organizational Structures within Two Chemical Flip-Flops

    E-Print Network [OSTI]

    Hinze, Thomas

    Engineering Dublin City University, Dublin 9, Ireland Abstract. Chemical information processing foundCommon Organizational Structures within Two Chemical Flip-Flops Naoki Matsumaru1 , Thorsten Lenser1 molecular interactions. Here, we follow an approach that applies chemical organization theory to bridge

  2. Method of immobilizing water-soluble bioorganic compounds on a capillary-porous carrier

    DOE Patents [OSTI]

    Ershov, Gennady Moiseevich (Moscow, RU); Timofeev, Eduard Nikolaevich (Moscow, RU); Ivanov, Igor Borisovich (Moscow, RU); Florentiev, Vladimir Leonidovich (Moscow, RU); Mirzabekov, Andrei Darievich (Moscow, RU)

    1998-01-01

    The method for immobilizing water-soluble bioorganic compounds to capillary-porous carrier comprises application of solutions of water-soluble bioorganic compounds onto a capillary-porous carrier, setting the carrier temperature equal to or below the dew point of the ambient air, keeping the carrier till appearance of water condensate and complete swelling of the carrier, whereupon the carrier surface is coated with a layer of water-immiscible nonluminescent inert oil and is allowed to stand till completion of the chemical reaction of bonding the bioorganic compounds with the carrier.

  3. Laboratory Studies of Processing of Carbonaceous Aerosols by Atmospheric Oxidants/Hygroscopicity and CCN Activity of Secondary & Processed Primary Organic Aerosols

    SciTech Connect (OSTI)

    Ziemann, P.J.; Arey, J.; Atkinson, R.; Kreidenweis, S.M.; Petters, M.D.

    2012-06-13

    The atmosphere is composed of a complex mixture of gases and suspended microscopic aerosol particles. The ability of these particles to take up water (hygroscopicity) and to act as nuclei for cloud droplet formation significantly impacts aerosol light scattering and absorption, and cloud formation, thereby influencing air quality, visibility, and climate in important ways. A substantial, yet poorly characterized component of the atmospheric aerosol is organic matter. Its major sources are direct emissions from combustion processes, which are referred to as primary organic aerosol (POA), or in situ processes in which volatile organic compounds (VOCs) are oxidized in the atmosphere to low volatility reaction products that subsequent condense to form particles that are referred to as secondary organic aerosol (SOA). POA and VOCs are emitted to the atmosphere from both anthropogenic and natural (biogenic) sources. The overall goal of this experimental research project was to conduct laboratory studies under simulated atmospheric conditions to investigate the effects of the chemical composition of organic aerosol particles on their hygroscopicity and cloud condensation nucleation (CCN) activity, in order to develop quantitative relationships that could be used to more accurately incorporate aerosol-cloud interactions into regional and global atmospheric models. More specifically, the project aimed to determine the products, mechanisms, and rates of chemical reactions involved in the processing of organic aerosol particles by atmospheric oxidants and to investigate the relationships between the chemical composition of organic particles (as represented by molecule sizes and the specific functional groups that are present) and the hygroscopicity and CCN activity of oxidized POA and SOA formed from the oxidation of the major classes of anthropogenic and biogenic VOCs that are emitted to the atmosphere, as well as model hydrocarbons. The general approach for this project was to carry out reactions of representative anthropogenic and biogenic VOCs and organic particles with ozone (O3), and hydroxyl (OH), nitrate (NO3), and chlorine (Cl) radicals, which are the major atmospheric oxidants, under simulated atmospheric conditions in large-volume environmental chambers. A combination of on-line and off-line analytical techniques were used to monitor the chemical and physical properties of the particles including their hygroscopicity and CCN activity. The results of the studies were used to (1) improve scientific understanding of the relationships between the chemical composition of organic particles and their hygroscopicity and CCN activity, (2) develop an improved molecular level theoretical framework for describing these relationships, and (3) establish a large database that is being used to develop parameterizations relating organic aerosol chemical properties and SOA sources to particle hygroscopicity and CCN activity for use in regional and global atmospheric air quality and climate models.

  4. Compound semiconductor optical waveguide switch

    DOE Patents [OSTI]

    Spahn, Olga B.; Sullivan, Charles T.; Garcia, Ernest J.

    2003-06-10

    An optical waveguide switch is disclosed which is formed from III-V compound semiconductors and which has a moveable optical waveguide with a cantilevered portion that can be bent laterally by an integral electrostatic actuator to route an optical signal (i.e. light) between the moveable optical waveguide and one of a plurality of fixed optical waveguides. A plurality of optical waveguide switches can be formed on a common substrate and interconnected to form an optical switching network.

  5. Chemical distribution in high-solids paint overspray aerosols

    SciTech Connect (OSTI)

    D'Arcy, J.B.; Chan, T.L. )

    1990-03-01

    The chemical composition of high-solids basecoat paint overspray aerosols was determined as a function of particle size. Detailed information on the chemical composition of the overspray aerosols is important in health hazard evaluation since the composition and distribution within the airborne particles may differ significantly from the bulk paint material. This study was conducted in a typical down-draft paint booth equipped with air-atomized spray painting equipment. A fixed paint target was used to simulate typical overspray generation conditions and the aerosols were collected isokinetically with a seven-stage cascade impactor for size-fractionated analysis. The overspray aerosol from six paints consisted of organic paint binders with varying amounts of inorganic species as pigments or luster enhancers. These overspray aerosols had mass median aerodynamic diameters (MMAD) ranging from 2.9 to 9.7 microns. The size-fractionated paint samples collected on the impaction stages were analyzed by energy dispersive X-ray spectrometry on a scanning electron microscope (SEM-EDXRS) to identify the metallic elements. Atomic absorption spectrometry was used to determine the mass distribution of aluminum and iron as indicators of nonuniform distribution. Three of the aerosols containing aluminum were found to have bimodal distributions with most aluminum distributions having cumulative MMADs larger than the total aerosol. Iron in the aerosols was bimodal for three of the paints with all samples having an overall iron MMAD less than or equal to the overspray aerosol MMAD. Analysis using ultraviolet spectrometry revealed that the organic compounds present in the size-fractionated particulate samples consisted of a single, polydispersed mode with an MMAD similar to that of the total overspray aerosol.

  6. Chemical Combinatorial Attacks on Keyboards Eric Brier David Naccache, Pascal Paillier

    E-Print Network [OSTI]

    International Association for Cryptologic Research (IACR)

    Chemical Combinatorial Attacks on Keyboards Eric Brier David Naccache, Pascal Paillier Gemplus Card in a state that leaks secret information. Nicely enough, evaluating the entropy loss due to the chemical spectroscopic analysis can reveal with accuracy the mixture of chemical compounds generated by the user, we show

  7. Book Chapter Microbial Fuel Cells: Electricity Generation from Organic

    E-Print Network [OSTI]

    Gu, Tingyue

    oxygen demand (BOD) sensors, bioremediation, hydrogen production and electricity generation (Logan Book Chapter Microbial Fuel Cells: Electricity Generation from Organic Wastes by Microbes Kun) are bioreactors that convert chemical energy stored in the bonds of organic matters into electricity through

  8. Fermilab | About | Organization | Fermilab Organization | Explanation...

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

    of Symbols Line Organization: sectors, divisions, sections Line Organization Matrix Organization: centers, projects and programs utilizing resources spanning the entire...

  9. Organization and control of genes encoding catabolic enzymes in Rhizobiaceae

    SciTech Connect (OSTI)

    Parke, D.; Ornston, L.N.

    1993-03-01

    Rhizobiaceae, a diverse bacterial group comprising rhizobia and agrobacteria, symbiotic partnership with plants form nitrogen-fixing nodules on plant roots or are plant pathogens. Phenolic compounds produced by plants serve as inducers of rhizobial nodulation genes and agrobacterial virulence genes reflect their capacity to utilize numerous aromatics, including phenolics, as a source of carbon and energy. In many microbes the aerobic degradation of numerous aromatic compounds to tricarboxylic acid cycle intermediates is achieved by the [beta]-ketoadipate pathway. Our initial studies focused on the organization and regulation of the ketoadipate pathway in Agrobacterium tumefaciens. We have cloned, identified and characterized a novel regulatory gene that modulates expression of an adjacent pca (protocatechuate) structural gene, pcaD. Regulation of pcaD is mediated by the regulatory gene, termed pcaQ, in concert with the intermediate [beta]-carboxy-cis,cis-muconate. [beta]-carboxy-cis,cismuconate is an unstable chemical, not marketed commercially, and it is unlikely to permeate Escherichia coli cells if supplied in media. Because of these factors, characterization of pcaQ in E. coli required an in vivo delivery system for [beta]-carboxycis,cis-muconate. This was accomplished by designing an E. coli strain that expressed an Acinetobacter calcoaceticus pcaA gene for conversion of protocatechuate to [beta]-carboxy-cis,cis-muconate.

  10. Among the major applications of pervaporation membrane processes, organic separation from organic/water mixtures is becoming increasingly important. The

    E-Print Network [OSTI]

    Among the major applications of pervaporation membrane processes, organic separation from organic referred to as "silicone rubber", exhibiting excellent film-forming ability, thermal stability, chemical for Engineering of Matter, Transport and Energy #12;

  11. MC-CAM Research Topics Organic LEDs

    E-Print Network [OSTI]

    Bigelow, Stephen

    materials with highly- controlled microstructures Next generation optical storage media Products based applications Novel conjugated polymers and high-conductivity organics Nanostructured materials with unique electronic, magnetic, and optical properties Chemically modified fullerenes and fullerene devices Materials

  12. Formation of Norisoprenoid Flavor Compounds in Carrot (Daucus carota L.) Roots: Characterization of a Cyclic-Specific Carotenoid

    E-Print Network [OSTI]

    Tholl, Dorothea

    , and -zeacarotene.9 Carrot flavor is influenced by carotenoid degradation products as well as other compounds, such as organic acids, phenolics, and alkynes.10,11 Carotenoids are tetraterpenoid pigments and normally

  13. Chemical Emissions of Residential Materials and Products: Review of Available Information

    SciTech Connect (OSTI)

    Willem, Henry; Singer, Brett

    2010-09-15

    This report is prepared in the context of a larger program whose mission is to advance understanding of ventilation and indoor air quality in U.S. homes. A specific objective of this program is to develop the scientific basis ? through controlled experiments, monitoring and analysis ? for health risk-based ventilation standards. Appropriate and adequate ventilation is a basic element of a healthy home. Ventilation provides outdoor air and in the process removes indoor odors and contaminants including potentially unhealthful chemicals emitted by indoor materials, products and activities. Ventilation traditionally was assured to occur via infiltration of outdoor air through cracks and other leakage pathways in the residential building envelope. As building air tightness is improved for energy efficiency, infiltration can be reduced to inadequate levels. This has lead to the development of standards requiring mechanical ventilation. Though nominally intended to ensure acceptable indoor air quality, the standards are not explicitly tied to health risk or pollutant exposure targets. LBNL is currently designing analyses to assess the impact of varying ventilation standards on pollutant concentrations, health risks and energy use. These analyses require information on sources of chemical pollutant emissions, ideally including emission rates and the impact of ventilation on emissions. Some information can be obtained from recent studies that report measurements of various air contaminants and their concentrations in U.S. residences. Another way to obtain this information is the bottom-up approach of collecting and evaluating emissions data from construction and interior materials and common household products. This review contributes to the latter approach by summarizing available information on chemical emissions from new residential products and materials. We review information from the scientific literature and public sources to identify and discuss the databases that provide information on new or low-emission materials and products. The review focuses on the primary chemical or volatile organic compound (VOC) emissions from interior surface materials, furnishings, and some regularly used household products; all of these emissions are amenable to ventilation. Though it is an important and related topic, this review does not consider secondary pollutants that result from reactions of ozone and unsaturated organics bound to or emitted from material surfaces. Semi-volatile organic compounds (SVOCs) have been largely excluded from this review because ventilation generally is not an effective way to control SVOC exposures. Nevertheless, health concerns about exposures to SVOCs emitted from selected materials warrant some discussion.

  14. Organic materials with nonlinear optical properties

    DOE Patents [OSTI]

    Stupp, S.I.; Son, S.; Lin, H.C.

    1995-05-02

    The present invention is directed to organic materials that have the ability to double or triple the frequency of light that is directed through the materials. Particularly, the present invention is directed to the compound 4-[4-(2R)-2-cyano-7-(4{prime}-pentyloxy-4-biphenylcarbonyloxy)phenylheptylidenephenylcarbonyloxy]benzaldehyde, which can double the frequency of light that is directed through the compound. The invention is also directed to the compound (12-hydroxy-5,7-dodecadiynyl)-4{prime}-[(4{prime}-pentyloxy-4-biphenyl)carbonyloxy]-4-biphenylcarboxylate, and its polymeric form. The polymeric form can triple the frequency of light directed through it. 4 figs.

  15. Chemical Hygiene and Safety Plan

    E-Print Network [OSTI]

    Ricks Editor, R.

    2009-01-01

    ether ethylene oxide lead and lead compounds mercury andether ethylene oxide lead and lead compounds mercury andoxide lead

  16. Identification of chemical hazards for security risk analysis activities.

    SciTech Connect (OSTI)

    Jaeger, Calvin Dell

    2005-01-01

    The presentation outline of this paper is: (1) How identification of chemical hazards fits into a security risk analysis approach; (2) Techniques for target identification; and (3) Identification of chemical hazards by different organizations. The summary is: (1) There are a number of different methodologies used within the chemical industry which identify chemical hazards: (a) Some develop a manual listing of potential targets based on published lists of hazardous chemicals or chemicals of concern, 'expert opinion' or known hazards. (b) Others develop a prioritized list based on chemicals found at a facility and consequence analysis (offsite release affecting population, theft of material, product tampering). (2) Identification of chemical hazards should include not only intrinsic properties of the chemicals but also potential reactive chemical hazards and potential use for activities off-site.

  17. Health and safety guide for inorganic compounds and metals used in the fabrication of superconductive alloys

    SciTech Connect (OSTI)

    Arnold, S.D.; Talley, G.M.

    1990-04-25

    This health and safety guide was written to satisfy two objectives: to summarize the toxicity of metals and alloys used in superconductivity for the benefit of those who work with these materials, and to summarize and describes the basic principles of a highly technical field from a health and safety point-of-view for the benefit of health professionals. The guide begins with a profile of the superconductivity industry, including a list of current and potential applications, a literature review of the market potential, and summary of the current industry status. The body of the paper provides a toxicity and hazard summary for 50 metals, alloys and metal oxides used in superconductivity. The toxicity and hazard summary for all 50 compounds includes: occupational exposure limits, explosiveness and flammability potential, LD{sub 50}'s, chemical and physical properties, incompatibilities and reactivities, recommended personal protective equipment, symptoms of acute and chronic exposure, target organs and toxic effects, and steps for emergency first aid. Finally, a discussion of general occupational hygiene principles is provided, with emphasis on how these principles apply to the unique field of superconductivity. 41 refs.

  18. CHEMICAL ENGINEERING Curriculum Notes

    E-Print Network [OSTI]

    Mohan, Chilukuri K.

    CHEMICAL ENGINEERING Curriculum Notes 2013-2014 1. Chemical engineering students must complete not included in the required chemical engineering curriculum. All technical electives are subject to approval be in chemical engineering. 2. Chemical engineering students must complete a minimum of 18 credits in the Social

  19. Thin films of mixed metal compounds

    DOE Patents [OSTI]

    Mickelsen, Reid A. (Bellevue, WA); Chen, Wen S. (Seattle, WA)

    1985-01-01

    A compositionally uniform thin film of a mixed metal compound is formed by simultaneously evaporating a first metal compound and a second metal compound from independent sources. The mean free path between the vapor particles is reduced by a gas and the mixed vapors are deposited uniformly. The invention finds particular utility in forming thin film heterojunction solar cells.

  20. Bibliography of work on the photocatalytic removal of hazardous compounds from water and air

    SciTech Connect (OSTI)

    Blake, D.M.

    1994-05-01

    This is a bibliography of information in the open literature on work that has been done to date on the photocatalytic oxidation of compounds, principally organic compounds. The goal of the listing is removing hazardous oompounds from water or air. It contains lists of substances and literature citations. The bibliography includes information obtained through the middle of 1993 and some selected references for the balance of that year.

  1. Preparation and synthetic application of {alpha}-phenylthioethylsamarium compound

    SciTech Connect (OSTI)

    Kasuga, Y.; Matsubara, S.; Utimoto, K. [Kyoto Univ. (Japan)

    1995-12-31

    Although samarium(II) iodide-mediated reaction of organohalides with carbonyl compounds has been applied to various organic syntheses, intermediary organosamarium species could be detected only when HMPA exists in the reaction system. The authors now report the detection of {alpha}-phenylthioethylsamarium compound in the absence of HMPA and application to diastereoselective reaction with aldehydes. A treatment of the organosamarium reagent, prepared from 1-chloroethyl phenyl sulfide and samarium(II) iodide, with D{sub 2}O afforded 1-deuterioethyl phenyl sulfide in 53% yield (82% D). The reagent reacted with aldehyde containing a stereogenic center at {alpha}-position to give {beta}-hydroxysulfide with high diastereoselectivity. Reaction using Barbier type procedure afforded the same results. These results suggest that {alpha}-phenylthioethylsamarium species is also generated in the Barbier type reaction. Configurational stability of {alpha}-thiosubstituted alkylmetal compounds seems to depend on the applied metal. Hoffmann Test indicated that the configuration of {alpha}-phenylthloethylsamarium compound is unchanged during the reaction with aldehyde, while that of {alpha}-alkylthioalkyllithium is unstable.

  2. The temporal dynamics of terrestrial organic matter transfer to the oceans : initial assessment and application

    E-Print Network [OSTI]

    Drenzek, Nicholas J

    2007-01-01

    This thesis employs compound-specific stable carbon and radiocarbon isotopic analysis of organic biomarkers to (a) resolve petrogenic from pre-aged vascular plant organic carbon (OC) in continental margin sediments, (b) ...

  3. Laser induced chemical reactions

    E-Print Network [OSTI]

    Orel, Ann E.

    2010-01-01

    the simplest prototype chemical reaction, and since it is soLASER ENHANCEMENT OF CHEMICAL REACTIONS A. B. C. D. E.Laser Inhibition of Chemical Reaction Effect of Isotopic

  4. Microfluidic chemical reaction circuits

    DOE Patents [OSTI]

    Lee, Chung-cheng (Irvine, CA); Sui, Guodong (Los Angeles, CA); Elizarov, Arkadij (Valley Village, CA); Kolb, Hartmuth C. (Playa del Rey, CA); Huang, Jiang (San Jose, CA); Heath, James R. (South Pasadena, CA); Phelps, Michael E. (Los Angeles, CA); Quake, Stephen R. (Stanford, CA); Tseng, Hsian-rong (Los Angeles, CA); Wyatt, Paul (Tipperary, IE); Daridon, Antoine (Mont-Sur-Rolle, CH)

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  5. Sandia Energy - Chemical Dynamics

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

    Chemical Dynamics Home Transportation Energy Predictive Simulation of Engines Combustion Chemistry Chemical Dynamics Chemical DynamicsAshley Otero2015-10-28T02:45:37+00:00...

  6. ITP Chemicals: Chemical Industry of the Future: New Biocatalysts...

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

    Chemical Industry of the Future: New Biocatalysts: Essential Tools for a Sustainable 21st Century Chemical Industry ITP Chemicals: Chemical Industry of the Future: New...

  7. Institute of Chemical Engineering and High Temperature Chemical...

    Open Energy Info (EERE)

    Institute of Chemical Engineering and High Temperature Chemical Processes ICEHT Jump to: navigation, search Name: Institute of Chemical Engineering and High Temperature Chemical...

  8. In Vitro Genotoxicity of Particulate and Semi-Volatile Organic...

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

    Particulate and Semi-Volatile Organic Compound Exhaust Materails from a Set of Gasoline and a Set of Diesel Engine Vehicles Operated at 30F In Vitro Genotoxicity of Particulate...

  9. STRUCTURAL REQUIREMENTS OF ORGANIC ANION TRANSPORTING POLYPEPTIDE MEDIATED TRANSPORT

    E-Print Network [OSTI]

    Weaver, Yi Miao

    2010-04-12

    The organic anion transporting polypeptides (human: OATP; other: Oatp) form a mammalian transporter superfamily that mediates the transport of structurally unrelated compounds across the cell membrane. Members in this superfamily participate...

  10. Limited effect of anthropogenic nitrogen oxides on Secondary Organic Aerosol formation

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

    Zheng, Y.; Unger, N.; Hodzic, A.; Emmons, L.; Knote, C.; Tilmes, S.; Lamarque, J.-F.; Yu, P.

    2015-08-28

    Globally, secondary organic aerosol (SOA) is mostly formed from emissions of biogenic volatile organic compounds (VOCs) by vegetation, but can be modified by human activities as demonstrated in recent research. Specifically, nitrogen oxides (NOx = NO + NO2) have been shown to play a critical role in the chemical formation of low volatility compounds. We have updated the SOA scheme in the global NCAR Community Atmospheric Model version 4 with chemistry (CAM4-chem) by implementing a 4-product Volatility Basis Set (VBS) scheme, including NOx-dependent SOA yields and aging parameterizations. The predicted organic aerosol amounts capture both the magnitude and distribution ofmore »US surface annual mean measurements from the Interagency Monitoring of Protected Visual Environments (IMPROVE) network by 50 %, and the simulated vertical profiles are within a factor of two compared to Aerosol Mass Spectrometer (AMS) measurements from 13 aircraft-based field campaigns across different region and seasons. We then perform sensitivity experiments to examine how the SOA loading responds to a 50 % reduction in anthropogenic nitric oxide (NO) emissions in different regions. We find limited SOA reductions of 0.9 to 5.6, 6.4 to 12.0 and 0.9 to 2.8 % for global, the southeast US and the Amazon NOx perturbations, respectively. The fact that SOA formation is almost unaffected by changes in NOx can be largely attributed to buffering in chemical pathways (low- and high-NOx pathways, O3 versus NO3-initiated oxidation) and to offsetting tendencies in the biogenic versus anthropogenic SOA responses.« less

  11. Molecular Siganture and Sources of Biochemical Recalcitrance of Organic C in Amozonian Dark Earths

    SciTech Connect (OSTI)

    Solomon,D.; Lehmann, J.; Thies, J.; Schafer, T.; Liang, B.; Kinyangi, J.; Neves, E.; Peterson, J.; Liuzao, F.; Skjemstad, J.

    2007-01-01

    Amazonian Dark Earths (ADE) are a unique type of soils developed through intense anthropogenic activities that transformed the original soils into Anthrosols throughout the Brazilian Amazon Basin. We conducted a comparative molecular-level investigation of soil organic C (SOC) speciation in ADE (ages between 600 and 8700 years B.P.) and adjacent soils using ultraviolet photo-oxidation coupled with {sup 13}C cross polarization-magic angle spinning nuclear magnetic resonance (CP-MAS NMR), synchrotron-based Fourier transform infrared-attenuated total reflectance (Sr-FTIR-ATR) and C (1s) near edge X-ray absorption fine structure (NEXAFS) spectroscopy to obtain deeper insights into the structural chemistry and sources of refractory organic C compounds in ADE. Our results show that the functional group chemistry of SOC in ADE was considerably different from adjacent soils. The SOC in ADE was enriched with: (i) aromatic-C structures mostly from H- and C-substituted aryl-C, (ii) O-rich organic C forms from carboxylic-C, aldehyde-C, ketonic-C and quinine-C, and (iii) diverse group of refractory aliphatic-C moieties. The SOC in adjacent soils was predominantly composed of O-alkyl-C and methoxyl-C/N-alkyl-C structures and elements of labile aliphatic-C functionalities. Our study suggests that the inherent molecular structures of organic C due to selective accumulation of highly refractory aryl-C structures seems to be the key factor for the biochemical recalcitrance and stability of SOC in ADE. Anthropogenic enrichment with charred carbonaceous residues from biomass-derived black C (BC) is presumed to be the precursor of these recalcitrant polyaromatic structures. Our results also highlight the complementary role that might be played by organic C compounds composed of O-containing organic C moieties and aliphatic-C structures that persisted for millennia in these anthropic soils as additional or secondary sources of chemical recalcitrance of SOC in ADE. These organic C compounds could be the products of: (i) primary recalcitrant biomolecules from non-BC sources or (ii) secondary processes involving microbial mediated oxidative or extracellular neoformation reactions of SOC from BC and non-BC sources; and stabilized through physical inaccessibility to decomposers due to sorption onto the surface or into porous structures of BC particles, selective preservation or through intermolecular interactions involving clay and BC particles.

  12. Chemical Industry Corrosion Management

    SciTech Connect (OSTI)

    2003-02-01

    Improved Corrosion Management Could Provide Significant Cost and Energy Savings for the Chemical Industry. In the chemical industry, corrosion is often responsible for significant shutdown and maintenance costs.

  13. Enhanced Chemical Cleaning

    Office of Environmental Management (EM)

    Enhanced Chemical Cleaning Renee H. Spires Enhanced Chemical Cleaning Project Manager July 29, 2009 Tank Waste Corporate Board 2 Objective Provide an overview of the ECC process...

  14. Thin films of mixed metal compounds

    DOE Patents [OSTI]

    Mickelsen, R.A.; Chen, W.S.

    1985-06-11

    Disclosed is a thin film heterojunction solar cell, said heterojunction comprising a p-type I-III-IV[sub 2] chalcopyrite substrate and an overlying layer of an n-type ternary mixed metal compound wherein said ternary mixed metal compound is applied to said substrate by introducing the vapor of a first metal compound to a vessel containing said substrate from a first vapor source while simultaneously introducing a vapor of a second metal compound from a second vapor source of said vessel, said first and second metals comprising the metal components of said mixed metal compound; independently controlling the vaporization rate of said first and second vapor sources; reducing the mean free path between vapor particles in said vessel, said gas being present in an amount sufficient to induce homogeneity of said vapor mixture; and depositing said mixed metal compound on said substrate in the form of a uniform composition polycrystalline mixed metal compound. 5 figs.

  15. Observed damage during Argon gas cluster depth profiles of compound semiconductors

    SciTech Connect (OSTI)

    Barlow, Anders J. Portoles, Jose F.; Cumpson, Peter J.

    2014-08-07

    Argon Gas Cluster Ion Beam (GCIB) sources have become very popular in XPS and SIMS in recent years, due to the minimal chemical damage they introduce in the depth-profiling of polymer and other organic materials. These GCIB sources are therefore particularly useful for depth-profiling polymer and organic materials, but also (though more slowly) the surfaces of inorganic materials such as semiconductors, due to the lower roughness expected in cluster ion sputtering compared to that introduced by monatomic ions. We have examined experimentally a set of five compound semiconductors, cadmium telluride (CdTe), gallium arsenide (GaAs), gallium phosphide (GaP), indium arsenide (InAs), and zinc selenide (ZnSe) and a high-? dielectric material, hafnium oxide (HfO), in their response to argon cluster profiling. An experimentally determined HfO etch rate of 0.025?nm/min (3.95?×?10{sup ?2}?amu/atom in ion) for 6?keV Ar gas clusters is used in the depth scale conversion for the profiles of the semiconductor materials. The assumption has been that, since the damage introduced into polymer materials is low, even though sputter yields are high, then there is little likelihood of damaging inorganic materials at all with cluster ions. This seems true in most cases; however, in this work, we report for the first time that this damage can in fact be very significant in the case of InAs, causing the formation of metallic indium that is readily visible even to the naked eye.

  16. Organizing Committee

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJesseworkSURVEYI/O Streams for Large-scaleOrganizationAboutOrganizingOrganizing

  17. Development Of Chemical Reduction And Air Stripping Processes To Remove Mercury From Wastewater

    SciTech Connect (OSTI)

    Jackson, Dennis G.; Looney, Brian B.; Craig, Robert R.; Thompson, Martha C.; Kmetz, Thomas F.

    2013-07-10

    This study evaluates the removal of mercury from wastewater using chemical reduction and air stripping using a full-scale treatment system at the Savannah River Site. The existing water treatment system utilizes air stripping as the unit operation to remove organic compounds from groundwater that also contains mercury (C ~ 250 ng/L). The baseline air stripping process was ineffective in removing mercury and the water exceeded a proposed limit of 51 ng/L. To test an enhancement to the existing treatment modality a continuous dose of reducing agent was injected for 6-hours at the inlet of the air stripper. This action resulted in the chemical reduction of mercury to Hg(0), a species that is removable with the existing unit operation. During the injection period a 94% decrease in concentration was observed and the effluent satisfied proposed limits. The process was optimized over a 2-day period by sequentially evaluating dose rates ranging from 0.64X to 297X stoichiometry. A minimum dose of 16X stoichiometry was necessary to initiate the reduction reaction that facilitated the mercury removal. Competing electron acceptors likely inhibited the reaction at the lower 1 doses, which prevented removal by air stripping. These results indicate that chemical reduction coupled with air stripping can effectively treat large-volumes of water to emerging part per trillion regulatory standards for mercury.

  18. Organic Superconductors

    SciTech Connect (OSTI)

    Charles Mielke

    2009-02-27

    Intense magnetic fields are an essential tool for understanding layered superconductors. Fundamental electronic properties of organic superconductors are revealed in intense (60 tesla) magnetic fields. Properties such as the topology of the Fermi surface and the nature of the superconducting order parameter are revealed. With modest maximum critical temperatures~13K the charge transfer salt organic superconductors prove to be incredibly valuable materials as their electronically clean nature and layered (highly anisotropic) structures yield insights to the high temperature superconductors. Observation of de Haas-van Alphen and Shubnikov-de Haas quantum oscillatory phenomena, magnetic field induced superconductivity and re-entrant superconductivity are some of the physical phenomena observed in the charge transfer organic superconductors. In this talk, I will discuss the nature of organic superconductors and give an overview of the generation of intense magnetic fields; from the 60 tesla millisecond duration to the extreme 1000 tesla microsecond pulsed magnetic fields.

  19. Concentrated formulations and methods for neutralizing chemical and biological toxants

    DOE Patents [OSTI]

    Tucker, Mark D.; Betty, Rita G.; Tadros, Maher E.

    2004-04-20

    A formulation and method of making and using that neutralizes the adverse health effects of both chemical and biological toxants, especially chemical warfare (CW) and biological warfare (BW) agents. The aqueous formulation is non-toxic and non-corrosive and can be delivered as a long-lasting foam, spray, or fog. The formulation includes solubilizing compounds that serve to effectively render the CW or BW toxant susceptible to attack, so that a nucleophillic agent can attack the compound via a hydrolysis or oxidation reaction. The formulation can kill up to 99.99999% of bacterial spores within one hour of exposure.

  20. Field test of a generic method for halogenated hydrocarbons: Semivost test at a chemical manufacturing facility. Final project report, August 1992-August 1993

    SciTech Connect (OSTI)

    McGaughey, J.F.; Bursey, J.T.; Merrill, R.G.

    1996-11-01

    The candidate methods for semivolatile organic compounds are SW-846 Sampling Method 0010 and Analytical Method 8270, which are applicable to stationary sources. Two field tests were conducted using quadruple sampling trains with dynamic spiking were performed according to the guidelines of EPA Method 301. The first field test was performed at a site with low levels of moisture. The second test reported here was conducted at a chemical manufacturing facility where chemical wastes were burned in a coal-fired boiler. Poor recoveries obtained for the spiked analytes at the second test were attributed to wet sorbent from the sampling train, use of methanol to effect complete transfer of wet sorbent from the sampling module, and use of extraction techniques which did not effect a complete separation of methylene chloride from methanol. A procedure to address problems with preparation of samples from Method 0010 is included in the report.

  1. Chemical Sciences Division annual report 1994

    SciTech Connect (OSTI)

    1995-06-01

    The division is one of ten LBL research divisions. It is composed of individual research groups organized into 5 scientific areas: chemical physics, inorganic/organometallic chemistry, actinide chemistry, atomic physics, and chemical engineering. Studies include structure and reactivity of critical reaction intermediates, transients and dynamics of elementary chemical reactions, and heterogeneous and homogeneous catalysis. Work for others included studies of superconducting properties of high-{Tc} oxides. In FY 1994, the division neared completion of two end-stations and a beamline for the Advanced Light Source, which will be used for combustion and other studies. This document presents summaries of the studies.

  2. Chemical Disposition of Plutonium in Hanford Site Tank Wastes

    SciTech Connect (OSTI)

    Delegard, Calvin H.; Jones, Susan A.

    2015-05-07

    This report examines the chemical disposition of plutonium (Pu) in Hanford Site tank wastes, by itself and in its observed and potential interactions with the neutron absorbers aluminum (Al), cadmium (Cd), chromium (Cr), iron (Fe), manganese (Mn), nickel (Ni), and sodium (Na). Consideration also is given to the interactions of plutonium with uranium (U). No consideration of the disposition of uranium itself as an element with fissile isotopes is considered except tangentially with respect to its interaction as an absorber for plutonium. The report begins with a brief review of Hanford Site plutonium processes, examining the various means used to recover plutonium from irradiated fuel and from scrap, and also examines the intermediate processing of plutonium to prepare useful chemical forms. The paper provides an overview of Hanford tank defined-waste–type compositions and some calculations of the ratios of plutonium to absorber elements in these waste types and in individual waste analyses. These assessments are based on Hanford tank waste inventory data derived from separately published, expert assessments of tank disposal records, process flowsheets, and chemical/radiochemical analyses. This work also investigates the distribution and expected speciation of plutonium in tank waste solution and solid phases. For the solid phases, both pure plutonium compounds and plutonium interactions with absorber elements are considered. These assessments of plutonium chemistry are based largely on analyses of idealized or simulated tank waste or strongly alkaline systems. The very limited information available on plutonium behavior, disposition, and speciation in genuine tank waste also is discussed. The assessments show that plutonium coprecipitates strongly with chromium, iron, manganese and uranium absorbers. Plutonium’s chemical interactions with aluminum, nickel, and sodium are minimal to non-existent. Credit for neutronic interaction of plutonium with these absorbers occurs only if they are physically proximal in solution or the plutonium present in the solid phase is intimately mixed with compounds or solutions of these absorbers. No information on the potential chemical interaction of plutonium with cadmium was found in the technical literature. Definitive evidence of sorption or adsorption of plutonium onto various solid phases from strongly alkaline media is less clear-cut, perhaps owing to fewer studies and to some well-attributed tests run under conditions exceeding the very low solubility of plutonium. The several studies that are well-founded show that only about half of the plutonium is adsorbed from waste solutions onto sludge solid phases. The organic complexants found in many Hanford tank waste solutions seem to decrease plutonium uptake onto solids. A number of studies show plutonium sorbs effectively onto sodium titanate. Finally, this report presents findings describing the behavior of plutonium vis-ŕ-vis other elements during sludge dissolution in nitric acid based on Hanford tank waste experience gained by lab-scale tests, chemical and radiochemical sample characterization, and full-scale processing in preparation for strontium-90 recovery from PUREX sludges.

  3. Hybrid inorganic-organic, organic charge transfer, and radical based compounds with chalcofulvalene donors and organic acceptors 

    E-Print Network [OSTI]

    Reinheimer, Eric Wade

    2009-05-15

    The primary focus of this dissertation is the electrochemical preparation of radical cation salts utilizing the donor o-4,4’-dimethyltetrathiafulvalene (o-Me2TTF) and spherical, tetrahedral, octahedral, bimetallic, cyanometallate...

  4. Controlled biosynthesis of odd-chain fuels and chemicals via engineered modular metabolic pathways

    E-Print Network [OSTI]

    Tseng, Hsien-Chung

    Microbial systems are being increasingly developed as production hosts for a wide variety of chemical compounds. Broader adoption of microbial synthesis is hampered by a limited number of high-yielding natural pathways for ...

  5. Thermal and chemical behaviour of an energetic material and a heat release rate issue 

    E-Print Network [OSTI]

    Biteau, Hubert

    2010-01-01

    Energetic materials encompass a wide range of chemical compounds all associated with a significant risk of fire and explosion. They include explosives, fireworks, pyrotechnics, powders, propellants and other unsteady ...

  6. Single walled carbon nanotubes functionally adsorbed to biopolymers for use as chemical sensors

    DOE Patents [OSTI]

    Johnson, Jr., Alan T. (Philadelphia, PA); Gelperin, Alan (Princeton, NJ); Staii, Cristian (Madison, WI)

    2011-07-12

    Chemical field effect sensors comprising nanotube field effect devices having biopolymers such as single stranded DNA functionally adsorbed to the nanotubes are provided. Also included are arrays comprising the sensors and methods of using the devices to detect volatile compounds.

  7. Temperature- and frequency-dependent dielectric properties of organic–inorganic hybrid compound: (C{sub 6}H{sub 9}N{sub 2}){sub 2}(Hg{sub 0.75}Cd{sub 0.25})Cl{sub 4}

    SciTech Connect (OSTI)

    Elwej, R. Hamdi, M.; Hannachi, N.; Hlel, F.

    2015-02-15

    Highlights: • We have synthesized a new hybrid compound of composition (C6H9N2)2(Hg0.75Cd0.25)Cl4. • The Ac conductivity of the title material was studied as a function of frequency and temperature. • The dielectric data have been analyzed in modulus formalism using KWW. - Abstract: The bis-2-amino-4-picolinium tetrachloromercurate-cadmate compound (C{sub 6}H{sub 9}N{sub 2}){sub 2}(Hg{sub 0.75}Cd{sub 0.25})Cl{sub 4} was prepared by hydrothermal method and characterized by X-ray diffraction (XRD) technique. The electrical properties of the compound were studied using impedance spectroscopy in the frequency and temperature range of 200 Hz–5 MHz and 308–403 K, respectively. The equivalent circuit is modeled by a combination of a parallel Rp//CPE circuit to explain the impedance results. The dielectric data were analyzed using complex electrical modulus M* at various temperatures. The activation energy responsible for the relaxation calculated from the modulus spectra is found to be almost the same as the value obtained from the temperature variation of dc conductivity. The electrical modulus and its scaling behavior are also investigated.

  8. Fluid Phase Equilibria 243 (2006) 198205 Comment on "prediction of vapor pressures of solid organic

    E-Print Network [OSTI]

    Chickos, James S.

    2006-01-01

    of vapor pressures of solid organic compounds with a group contribution method" William E. Acree Jr gave satisfactory vapor pressure predictions for many organic compounds having vapor pressures well only for substituting into their predictive vapor pressure expression. The intent of this short

  9. Chemical Management Contacts

    Broader source: Energy.gov [DOE]

    Contacts for additional information on Chemical Management and brief description on Energy Facility Contractors Group

  10. Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling

    SciTech Connect (OSTI)

    Valerio, Luis G. . E-mail: luis.valerio@FDA.HHS.gov; Arvidson, Kirk B.; Chanderbhan, Ronald F.; Contrera, Joseph F.

    2007-07-01

    Consistent with the U.S. Food and Drug Administration (FDA) Critical Path Initiative, predictive toxicology software programs employing quantitative structure-activity relationship (QSAR) models are currently under evaluation for regulatory risk assessment and scientific decision support for highly sensitive endpoints such as carcinogenicity, mutagenicity and reproductive toxicity. At the FDA's Center for Food Safety and Applied Nutrition's Office of Food Additive Safety and the Center for Drug Evaluation and Research's Informatics and Computational Safety Analysis Staff (ICSAS), the use of computational SAR tools for both qualitative and quantitative risk assessment applications are being developed and evaluated. One tool of current interest is MDL-QSAR predictive discriminant analysis modeling of rodent carcinogenicity, which has been previously evaluated for pharmaceutical applications by the FDA ICSAS. The study described in this paper aims to evaluate the utility of this software to estimate the carcinogenic potential of small, organic, naturally occurring chemicals found in the human diet. In addition, a group of 19 known synthetic dietary constituents that were positive in rodent carcinogenicity studies served as a control group. In the test group of naturally occurring chemicals, 101 were found to be suitable for predictive modeling using this software's discriminant analysis modeling approach. Predictions performed on these compounds were compared to published experimental evidence of each compound's carcinogenic potential. Experimental evidence included relevant toxicological studies such as rodent cancer bioassays, rodent anti-carcinogenicity studies, genotoxic studies, and the presence of chemical structural alerts. Statistical indices of predictive performance were calculated to assess the utility of the predictive modeling method. Results revealed good predictive performance using this software's rodent carcinogenicity module of over 1200 chemicals, comprised primarily of pharmaceutical, industrial and some natural products developed under an FDA-MDL cooperative research and development agreement (CRADA). The predictive performance for this group of dietary natural products and the control group was 97% sensitivity and 80% concordance. Specificity was marginal at 53%. This study finds that the in silico QSAR analysis employing this software's rodent carcinogenicity database is capable of identifying the rodent carcinogenic potential of naturally occurring organic molecules found in the human diet with a high degree of sensitivity. It is the first study to demonstrate successful QSAR predictive modeling of naturally occurring carcinogens found in the human diet using an external validation test. Further test validation of this software and expansion of the training data set for dietary chemicals will help to support the future use of such QSAR methods for screening and prioritizing the risk of dietary chemicals when actual animal data are inadequate, equivocal, or absent.

  11. Microbial Biogeochemistry Chemical reactions occurring in the environment mediated by microbial communities

    E-Print Network [OSTI]

    Vallino, Joseph J.

    Microbial Biogeochemistry Chemical reactions occurring in the environment mediated by microbial communities Outline · Metabolic Classifications. · Winogradsky columns, Microenvironments. · Redox Reactions Chemical (Chemotrophs) Inorganic (Chemolithotrophs) Aerobic (majority) Anaerobic (few) Organic

  12. Compound hybrid geothermal-fossil power plants: thermodynamic...

    Office of Scientific and Technical Information (OSTI)

    SUPERHEATING; THERMODYNAMICS; WELL TEMPERATURE; WELLHEADS; WESTERN REGION; HEATING; HYDROGEN COMPOUNDS; NORTH AMERICA; OXYGEN COMPOUNDS; POWER PLANTS; RESERVOIR TEMPERATURE;...

  13. Carbon aging mechanisms and effects on retention of organic iodides

    SciTech Connect (OSTI)

    Hyder, M.L.

    1985-01-01

    The activated carbon used to treat the off-gas from the Savannah River Plant prodution reactor building was studied to determine the chemical changes occurring in this carbon during its service life. The carbon is a coconut-shell charcoal impregnated with 1% triethylenediamine (TEDA) and 2% KI. It was known that during its 30-month service life the carbon becomes more acidic and less effective for retaining iodine in organic form. The study showed that the most important change occurring in the carbon is the reaction of KI to give other chemical forms of iodine. The reacted iodine is unavailable for exchange with alkyl iodides. The results suggest that the carbon reacts with KI to form organic compounds, but small amounts of oxidized iodine may also be presnt. There is also evidence that some iodide is lost from the carbon altogether. The TEDA impregnant is lost from the carbon very quickly, and has no importance after a few months. The specific reactions by which the impregnant is lost have not been identified. However, mathematical analysis shows that the carbon performance data are consistent with the reaction of iodide impregnant with impurities in the air flowing through the carbon bed. Additional mathematical analysis, based on electron microscopic observation of the carbon particles, indicates that the external surfaces of the carbon are mainly responsible for their effectiveness in retaining iodine. Consequently, the condition of the impregnants on a relatively small fraction of the carbon surface can have a large effect on its performance. 4 refs., 14 figs., 2 tabs.

  14. Organization Chart

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJesseworkSURVEYI/O Streams for Large-scaleOrganization Chart Organization Charts

  15. Organizing Committee

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJesseworkSURVEYI/O Streams for Large-scaleOrganizationAbout EventsOrganizing

  16. Organizing Committee

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJesseworkSURVEYI/O Streams for Large-scaleOrganizationAboutOrganizing Committee

  17. Organizing Committee

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformationJesseworkSURVEYI/O Streams for Large-scaleOrganizationAboutOrganizing

  18. Investigation of muonic cascades in organic molecules and the possible application to explosives detection

    SciTech Connect (OSTI)

    Hoteling, Nathan J [Los Alamos National Laboratory; Esch, Ernst I [Los Alamos National Laboratory; Heffner, R [Los Alamos National Laboratory; Jason, A [Los Alamos National Laboratory; Miyadera, H [Los Alamos National Laboratory; Mitchell, L [HEALTH CANADA; Stocki, T [U.S. NAVAL RESEARCH LAB

    2009-01-01

    Initial results from an experiment aimed at studying the muonic x rays from several chemical species is reported. An analysis of spectra obtained from methanol, ethanol, benzene, toluene, and melamine is compared to rudimentary predictions from the Z Law, from which a unique signature is sought based on molecular structure effects. To assess the possible application to explosives detection, the surrogate compound melamine, which has similar molecular structure to common explosives compounds, is compared to other chemicals. The deviation from Z Law predictions is clearly different for this compound, giving evidence for a unique chemical effect.

  19. Application of high-resolution time-of-flight chemical ionization mass spectrometry measurements to estimate volatility distributions of ?-pinene and naphthalene oxidation products

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

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2015-01-05

    Recent developments in high-resolution time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made it possible to directly detect atmospheric organic compounds in real time with high sensitivity and with little or no fragmentation, including low-volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, using ions identified by high-resolution spectra from an HR-ToF-CIMS with acetate reagent ion chemistry, we develop an algorithm to estimate the vapor pressures of measured organic acids. The algorithm uses identified ion formulas and calculated double bond equivalencies, information unavailable in quadrupole CIMS technology, as constraints for the number of possible oxygen-containing functionalmore »groups. The algorithm is tested with acetate chemical ionization mass spectrometry (acetate-CIMS) spectra of O3 and OH oxidation products of ?-pinene and naphthalene formed in a flow reactor with integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec s cm?3, corresponding to approximately 1.0 to 7.5 days of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. The predicted condensed-phase secondary organic aerosol (SOA) average acid yields and O/C and H/C ratios agree within uncertainties with previous chamber and flow reactor measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  20. Chemical vapor deposition of organosilicon and sacrificial polymer thin films

    E-Print Network [OSTI]

    Casserly, Thomas Bryan

    2005-01-01

    Chemical vapor deposition (CVD) produced films for a wide array of applications from a variety of organosilicon and organic precursors. The structure and properties of thin films were controlled by varying processing ...

  1. Chemical kinetics and oil shale process design

    SciTech Connect (OSTI)

    Burnham, A.K.

    1993-07-01

    Oil shale processes are reviewed with the goal of showing how chemical kinetics influences the design and operation of different processes for different types of oil shale. Reaction kinetics are presented for organic pyrolysis, carbon combustion, carbonate decomposition, and sulfur and nitrogen reactions.

  2. Phosphorescent organic light emitting diodes with high efficiency and brightness

    DOE Patents [OSTI]

    Forrest, Stephen R; Zhang, Yifan

    2015-11-12

    An organic light emitting device including a) an anode; b) a cathode; and c) an emissive layer disposed between the anode and the cathode, the emissive layer comprising an organic host compound and a phosphorescent compound exhibiting a Stokes Shift overlap greater than 0.3 eV. The organic light emitting device may further include a hole transport layer disposed between the emissive layer and the anode; and an electron transport layer disposed between the emissive layer and the cathode. In some embodiments, the phosphorescent compound exhibits a phosphorescent lifetime of less than 10 .mu.s. In some embodiments, the concentration of the phosphorescent compound ranges from 0.5 wt. % to 10 wt. %.

  3. Chemical Emissions of Residential Materials and Products: Review of Available Information

    E-Print Network [OSTI]

    Willem, Henry

    2010-01-01

    organic aerosols from ozone-initiated reactions with emissions from wood-based materials and a "green" paint.organic compounds (VOCs) and other air pollutants from the indoor application of water - based paints.Paints and coatings Wall finish and surfaces Acrylic urethane Glass fiber, resin, polystyrene, polyurethane, polyethylene foam, organic

  4. Compound structure one-dimensional photonic crystal

    E-Print Network [OSTI]

    Wu, Xiang-Yao; Liu, Xiao-Jing; Liang, Yu; Wang, Zhi-Guo; Fang, Yun-Tuan

    2015-01-01

    In this paper, we have proposed a new compound structure one-dimensional photonic crystal, which include series connection, parallel connection and positive and negative feedback compound structure photonic crystal. We have studied their transmission characteristics and obtained some new results, which should be help to design new type optical devices, such as optical amplifier, photonic crystal laser and so on.

  5. Performance of BNL-TSTA compound cryopump

    SciTech Connect (OSTI)

    Hseuh, H C; Worwetz, H A

    1980-01-01

    A compound cryopump using cryocondensation pumping for hydrogen isotopes and cryosorption pumping with coconut charcoal as adsorbent for helium was designed. This compound cryopump was subsequently built (by Janis Research, Stoneham, MA) and has been tested at Brookhaven, fulfilling the design requirements and are delivered to Tritium Systems Test Assembly (TSTA) Vacuum Facility at Los Alamos Scientific Laboratory (LASL) for on-line operations.

  6. Chemistry of ?-pinene and naphthalene oxidation products generated in a Potential Aerosol Mass (PAM) chamber as measured by acetate chemical ionization mass spectrometry

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

    Chhabra, P. S.; Lambe, A. T.; Canagaratna, M. R.; Stark, H.; Jayne, J. T.; Onasch, T. B.; Davidovits, P.; Kimmel, J. R.; Worsnop, D. R.

    2014-07-01

    Recent developments in high resolution, time-of-flight chemical ionization mass spectrometry (HR-ToF-CIMS) have made possible the direct detection of atmospheric organic compounds in real-time with high sensitivity and with little or no fragmentation, including low volatility, highly oxygenated organic vapors that are precursors to secondary organic aerosol formation. Here, for the first time, we examine gas-phase O3 and OH oxidation products of ?-pinene and naphthalene formed in the PAM flow reactor with an HR-ToF-CIMS using acetate reagent ion chemistry. Integrated OH exposures ranged from 1.2 × 1011 to 9.7 × 1011 molec cm?3 s, corresponding to approximately 1.0 to 7.5 daysmore »of equivalent atmospheric oxidation. Measured gas-phase organic acids are similar to those previously observed in environmental chamber studies. For both precursors, we find that acetate-CIMS spectra capture both functionalization (oxygen addition) and fragmentation (carbon loss) as a function of OH exposure. The level of fragmentation is observed to increase with increased oxidation. We present a method that estimates vapor pressures of organic molecules using the measured O/C ratio, H/C ratio, and carbon number for each compound detected by the CIMS. The predicted condensed-phase SOA average acid yields and O/C and H/C ratios agree within uncertainties with previous AMS measurements and ambient CIMS results. While acetate reagent ion chemistry is used to selectively measure organic acids, in principle this method can be applied to additional reagent ion chemistries depending on the application.« less

  7. PESTICIDES AND SOLVENTS Modern pesticides include a diverse number of compounds, grouped according to

    E-Print Network [OSTI]

    Radcliffe, David

    PESTICIDES AND SOLVENTS Modern pesticides include a diverse number of compounds, grouped according in groundwater today. Solvents include a number of organic liquids that are used in a variety of house- hold products such as paint, cleaners, degreasers, and other applications. The most dangerous solvents often

  8. Comparison of secondary organic aerosol formed with an aerosol flow reactor and environmental reaction chambers: effect of oxidant concentration, exposure time and seed particles on chemical composition and yield

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

    Lambe, A. T.; Chhabra, P. S.; Onasch, T. B.; Brune, W. H.; Hunter, J. F.; Kroll, J. H.; Cummings, M. J.; Brogan, J. F.; Parmar, Y.; Worsnop, D. R.; et al

    2014-12-02

    We performed a systematic intercomparison study of the chemistry and yields of SOA generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous flow reactor and several environmental chambers. In the flow reactor, SOA precursors were oxidized using OH concentrations ranging from 2.0×108 to 2.2×1010 molec cm-3 over exposure times of 100 s. In the environmental chambers, precursors were oxidized using OH concentrations ranging from 2×106 to 2×107 molec cm-3 over exposure times of several hours. The OH concentration in the chamber experiments is close to that found in the atmosphere, butmore »the integrated OH exposure in the flow reactor can simulate atmospheric exposure times of multiple days compared to chamber exposure times of only a day or so. A linear correlation analysis of the mass spectra (m=0.91–0.92, r2=0.93–0.94) and carbon oxidation state (m=1.1, r2=0.58) of SOA produced in the flow reactor and environmental chambers for OH exposures of approximately 1011 molec cm-3 s suggests that the composition of SOA produced in the flow reactor and chambers is the same within experimental accuracy as measured with an aerosol mass spectrometer. This similarity in turn suggests that both in the flow reactor and in chambers, SOA chemical composition at low OH exposure is governed primarily by gas-phase OH oxidation of the precursors, rather than heterogeneous oxidation of the condensed particles. In general, SOA yields measured in the flow reactor are lower than measured in chambers for the range of equivalent OH exposures that can be measured in both the flow reactor and chambers. The influence of sulfate seed particles on isoprene SOA yield measurements was examined in the flow reactor. The studies show that seed particles increase the yield of SOA produced in flow reactors by a factor of 3 to 5 and may also account in part for higher SOA yields obtained in the chambers, where seed particles are routinely used.« less

  9. Chemical Profile Hepatic Transcriptional Networks Induced by Exposure to

    E-Print Network [OSTI]

    Bradfield, Christopher A.

    Chemical Profile Hepatic Transcriptional Networks Induced by Exposure to 2,3,7,8-Tetrachlorodibenzo-p-dioxin,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) serves as a prototype for a range of environmental toxicants The compound 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD, dioxin) has long been a focus of public concern. Formed

  10. Design and Fabrication of a MEMS Capacitive Chemical Sensor System

    E-Print Network [OSTI]

    Baker, R. Jacob

    Design and Fabrication of a MEMS Capacitive Chemical Sensor System Vishal Saxena, Todd J. Plum-- This paper describes the development of a MEMS sensor system to detect volatile compounds. The sensor consists of a MEMS capacitive sensor element monolithically integrated with a sensing circuit. The sensor

  11. Chemical Industry Bandwidth Study

    SciTech Connect (OSTI)

    none,

    2006-12-01

    The Chemical Bandwidth Study provides a snapshot of potentially recoverable energy losses during chemical manufacturing. The advantage of this study is the use of "exergy" analysis as a tool for pinpointing inefficiencies.

  12. Chemicals Industry Vision

    SciTech Connect (OSTI)

    none,

    1996-12-01

    Chemical industry leaders articulated a long-term vision for the industry, its markets, and its technology in the groundbreaking 1996 document Technology Vision 2020 - The U.S. Chemical Industry. (PDF 310 KB).

  13. Capacitive chemical sensor

    DOE Patents [OSTI]

    Manginell, Ronald P; Moorman, Matthew W; Wheeler, David R

    2014-05-27

    A microfabricated capacitive chemical sensor can be used as an autonomous chemical sensor or as an analyte-sensitive chemical preconcentrator in a larger microanalytical system. The capacitive chemical sensor detects changes in sensing film dielectric properties, such as the dielectric constant, conductivity, or dimensionality. These changes result from the interaction of a target analyte with the sensing film. This capability provides a low-power, self-heating chemical sensor suitable for remote and unattended sensing applications. The capacitive chemical sensor also enables a smart, analyte-sensitive chemical preconcentrator. After sorption of the sample by the sensing film, the film can be rapidly heated to release the sample for further analysis. Therefore, the capacitive chemical sensor can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

  14. CHEMICAL SIGNALS IN THE SEA: MARINE ALLELOCHEMICS AND EVOLUTION1

    E-Print Network [OSTI]

    CHEMICAL SIGNALS IN THE SEA: MARINE ALLELOCHEMICS AND EVOLUTION1 .J. S. KITTREDGE,2 FRANCIS T. TAKAHASHI,:1 ,JAMES LINDSEY,' AND REUB~;N LASKER'> ABSTRACT Ohservations in ~hemi~al ecology suggest between organ- isms was probably by means of chemical agents. This interaction involved both conflict

  15. Marine Chemical Ecology: A Science Born of Scuba

    E-Print Network [OSTI]

    Pawlik, Joseph

    Marine Chemical Ecology: A Science Born of Scuba Joseph R. Pawlik, Charles D.Amsler, Raphael Ritson chemists have been interested in the novel chemical structures and biological activities of marine natural by diverse marine organisms. Chemi- cal ecology, the study of the natural ecological functions

  16. ENERGY & ENVIRONMENT DIVISION. ANNUAL REPORT FY 1980

    E-Print Network [OSTI]

    Authors, Various

    2010-01-01

    from the antifouling paints and organic chemicals used onOrganic compounds are emitted from such materials as paints

  17. A Physically Based Framework for Modelling the Organic Fractionation of Sea Spray Aerosol from Bubble Film Langmuir Equilibria

    SciTech Connect (OSTI)

    Burrows, Susannah M.; Ogunro, O.; Frossard, Amanda; Russell, Lynn M.; Rasch, Philip J.; Elliott, S.

    2014-12-19

    The presence of a large fraction of organic matter in primary sea spray aerosol (SSA) can strongly affect its cloud condensation nuclei activity and interactions with marine clouds. Global climate models require new parameterizations of the SSA composition in order to improve the representation of these processes. Existing proposals for such a parameterization use remotely-sensed chlorophyll-a concentrations as a proxy for the biogenic contribution to the aerosol. However, both observations and theoretical considerations suggest that existing relationships with chlorophyll-a, derived from observations at only a few locations, may not be representative for all ocean regions. We introduce a novel framework for parameterizing the fractionation of marine organic matter into SSA based on a competitive Langmuir adsorption equilibrium at bubble surfaces. Marine organic matter is partitioned into classes with differing molecular weights, surface excesses, and Langmuir adsorption parameters. The classes include a lipid-like mixture associated with labile dissolved organic carbon (DOC), a polysaccharide-like mixture associated primarily with semi-labile DOC, a protein-like mixture with concentrations intermediate between lipids and polysaccharides, a processed mixture associated with recalcitrant surface DOC, and a deep abyssal humic-like mixture. Box model calculations have been performed for several cases of organic adsorption to illustrate the underlying concepts. We then apply the framework to output from a global marine biogeochemistry model, by partitioning total dissolved organic carbon into several classes of macromolecule. Each class is represented by model compounds with physical and chemical properties based on existing laboratory data. This allows us to globally map the predicted organic mass fraction of the nascent submicron sea spray aerosol. Predicted relationships between chlorophyll-\\textit{a} and organic fraction are similar to existing empirical parameterizations, but can vary between biologically productive and non-productive regions, and seasonally within a given region. Major uncertainties include the bubble film thickness at bursting and the variability of organic surfactant activity in the ocean, which is poorly constrained. In addition, marine colloids and cooperative adsorption of polysaccharides may make important contributions to the aerosol, but are not included here. This organic fractionation framework is an initial step towards a closer linking of ocean biogeochemistry and aerosol chemical composition in Earth system models. Future work should focus on improving constraints on model parameters through new laboratory experiments or through empirical fitting to observed relationships in the real ocean and atmosphere, as well as on atmospheric implications of the variable composition of organic matter in sea spray.

  18. Phase of atmospheric secondary organic material affects its reactivity

    E-Print Network [OSTI]

    of the reactivity of atmospheric SOM particles. atmospheric chemistry chemical aging organic aerosol collectionPhase of atmospheric secondary organic material affects its reactivity Mikinori Kuwata and Scot T of atmospheric organic particles among solid, semisolid, and liquid phases is of keen current scientific interest

  19. Sediment-Water Distribution of Organic Contaminants in Aquatic

    E-Print Network [OSTI]

    Gobas, Frank

    Sediment-Water Distribution of Organic Contaminants in Aquatic Ecosystems: The Role of Organic The distribution between sediments and water plays a key role in the food-chain transfer of hydrophobic organic chemicals. Current models and assessment methods of sediment-water distribution predominantly rely

  20. Gas Separation Using Organic-Vapor-Resistent Membranes In Conjunctin With Organic-Vapor-Selective Membranes

    DOE Patents [OSTI]

    Baker, Richard W. (Palo Alto, CA); Pinnau, Ingo (Palo Alto, CA); He, Zhenjie (Fremont, CA); Da Costa, Andre R. (Menlo Park, CA); Daniels, Ramin (San Jose, CA); Amo, Karl D. (Mountain View, CA); Wijmans, Johannes G. (Menlo Park, CA)

    2003-06-03

    A process for treating a gas mixture containing at least an organic compound gas or vapor and a second gas, such as natural gas, refinery off-gas or air. The process uses two sequential membrane separation steps, one using membrane selective for the organic compound over the second gas, the other selective for the second gas over the organic vapor. The second-gas-selective membranes use a selective layer made from a polymer having repeating units of a fluorinated polymer, and demonstrate good resistance to plasticization by the organic components in the gas mixture under treatment, and good recovery after exposure to liquid aromatic hydrocarbons. The membrane steps can be combined in either order.