WorldWideScience

Sample records for tar model compound

  1. Effects of electric current upon catalytic steam reforming of biomass gasification tar model compounds to syngas

    International Nuclear Information System (INIS)

    Tao, Jun; Lu, Qiang; Dong, Changqing; Du, Xiaoze; Dahlquist, Erik

    2015-01-01

    Highlights: • ECR technique was proposed to convert biomass gasification tar model compounds. • Electric current enhanced the reforming efficiency remarkably. • The highest toluene conversion reached 99.9%. • Ni–CeO 2 /γ-Al 2 O 3 exhibited good stability during the ECR performance. - Abstract: Electrochemical catalytic reforming (ECR) technique, known as electric current enhanced catalytic reforming technique, was proposed to convert the biomass gasification tar into syngas. In this study, Ni–CeO 2 /γ-Al 2 O 3 catalyst was prepared, and toluene was employed as the major feedstock for ECR experiments using a fixed-bed lab-scale setup where thermal electrons could be generated and provided to the catalyst. Several factors, including the electric current intensity, reaction temperature and steam/carbon (S/C) ratio, were investigated to reveal their effects on the conversion of toluene as well as the composition of the gas products. Moreover, toluene, two other tar model compounds (benzene and 1-methylnaphthalene) and real tar (tar-containing wastewater) were subjected to the long period catalytic stability tests. All the used catalysts were analyzed to determine their carbon contents. The results indicated that the presence of electric current enhanced the catalytic performance remarkably. The toluene conversion reached 99.9% under the electric current of 4 A, catalytic temperature of 800 °C and S/C ratio of 3. Stable conversion performances of benzene, 1-methylnaphthalene and tar-containing wastewater were also observed in the ECR process. H 2 and CO were the major gas products, while CO 2 and CH 4 were the minor ones. Due to the promising capability, the ECR technique deserves further investigation and application for efficient tar conversion

  2. Steam reforming of different biomass tar model compounds over Ni/Al_2O_3 catalysts

    International Nuclear Information System (INIS)

    Artetxe, Maite; Alvarez, Jon; Nahil, Mohamad A.; Olazar, Martin; Williams, Paul T.

    2017-01-01

    Highlights: • Order of reactivity: anisole > furfural > indene > phenol > toluene > methyl naphthalene. • Higher coke deposition for oxygenates (1.5–2.8%) than for aromatics (0.5–0.8%). • Amorphous coke is deposited for oxygenates and filamentous carbon for aromatics. • Ni content of 20 wt.% shows the higher conversion (90%) and H_2 potential (63%). - Abstract: This work focuses on the removal of the tar derived from biomass gasification by catalytic steam reforming on Ni/Al_2O_3 catalysts. Different tar model compounds (phenol, toluene, methyl naphthalene, indene, anisole and furfural) were individually steam reformed (after dissolving each one in methanol), as well as a mixture of all of them, at 700 °C under a steam/carbon (S/C) ratio of 3 and 60 min on stream. The highest conversions and H_2 potential were attained for anisole and furfural, while methyl naphthalene presented the lowest reactivity. Nevertheless, the higher reactivity of oxygenates compared to aromatic hydrocarbons promoted carbon deposition on the catalyst (in the 1.5–2.8 wt.% range). When the concentration of methanol is decreased in the feedstock and that of toluene or anisole is increased, the selectivity to CO is favoured in the gaseous products, thus increasing coke deposition on the catalyst and decreasing catalyst activity for the steam reforming reaction. Moreover, an increase in Ni loading in the catalyst from 5 to 20% enhances carbon conversion and H_2 formation in the steam reforming of a mixture of all the model compounds studied, but these values decrease for a Ni content of 40%. Coke formation also increased by increasing Ni loading, attaining its maximum value for 40% Ni (6.5 wt.%).

  3. Catalytic Pyrolysis of Tar Model Compound with Various Bio-Char Catalysts to Recycle Char from Biomass Pyrolysis

    Directory of Open Access Journals (Sweden)

    Jinmiao Liu

    2016-03-01

    Full Text Available Tar and char can be regarded as unwanted byproducts during the gasification process. In this study, three types of catalyst, i.e., biomass char (bio-char, nickel supported on biomass (Ni+bio-char, and nickel supported on bio-char (bio-char+Ni, were studied to compare the catalytic effects of different preparation methods on tar model compound removal. The structural characteristics of the three catalysts were also investigated by X-ray diffraction (XRD, scanning electron microscopy (SEM, and Brunauer-Emmett-Teller (BET methods. The results revealed that Ni+bio-char catalyst showed much higher activity for the reformation of toluene (C7H8 as a tar model compound than the other two catalysts. Toluene could be completely converted to small gas molecules at a conversion rate of 99.92% at 800 °C, and the maximum yield of gas was 432 mL/(mL C7H8. In particular, the H2 and CH4 yields were 339 and 85 mL/(mL C7H8 at 850 °C, respectively. An N2 absorption-desorption experiment demonstrated that the specific surface area of Ni+bio-char was 32.87 times that of bio-char and 8.39 times that of bio-char+Ni. Moreover, metallic nickel (Ni0 particles could be generated in the carbon matrix of Ni+bio-char catalyst. SEM analysis confirmed that the Ni+bio-char catalyst had a more porous structure. Nickel supported on biomass might be a promising catalyst for tar reformation because of its excellent catalytic activities.

  4. Catalytic reforming of toluene as tar model compound: effect of Ce and Ce-Mg promoter using Ni/olivine catalyst.

    Science.gov (United States)

    Zhang, Ruiqin; Wang, Huajian; Hou, Xiaoxue

    2014-02-01

    Tar produced by biomass gasification as a route of renewable energy must be removed before the gas can be used. This study was undertaken using toluene as a model tar compound for evaluating its steam reforming conversion with three Ni-based catalysts, Ni/olivine, Ni-Ce/olivine and Ni-Ce-Mg/olivine. Effects of Ce and Mg promoters on the reaction activity and coke deposition were studied. Overall the performance of Ce and Mg promoted Ni/olivine catalysts is better than that of only Ce promoter and Ni/olivine alone. The experimental results indicate that Ni-Ce-Mg/olivine catalysts could improve the resistance to carbon deposition, enhance energy gases yield and resist 10ppm H2S poison at 100mLmin(-1) for up to 400min. Furthermore, the activity of catalysts was related to the steam/carbon (S/C) ratios; at S/C ratio=5, T=790°C, space velocity=782h(-1) and t=2h, the Ni-Ce-Mg/olivine system yielded 89% toluene conversion, 5.6Lh(-1) product gas rate, 62.6mol% H2 content and 10% (mol useful gas mol(-1) toluene) energy yield. Moreover, at low S/C ratio, it had higher reaction activity and better ability to prevent coking. There is a small amount of carbon deposition in the form of amorphous carbon after 7h. Various characterization techniques such as XRD, FTIR and thermogravimetric were performed to investigate the coke deposition of Ni/olivine, Ni-Ce/olivine and Ni-Ce-Mg/olivine. It is suggested that 3% Ni-1% Ce-1% Mg/olivine was the most promising catalyst due to its minimum coke amount and the lower activation energy of coke burning. Copyright © 2014. Published by Elsevier Ltd.

  5. Catalytic hydroprocessing of simulated coal tars. 1. Activity of a sulphided Ni-Mo/Al/sub 2/O/sub 3/ catalyst for the hydroconversion of model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lemberton, J.L.; Touzeyidio, M.; Guisnet, M. (Laboratoire de Catalyse en Chimie Organique CNRS, Poitiers (France))

    1989-09-15

    The conversion of tars from coal pyrolysis into light aromatics, such as BTX (benzene-toluene-xylenes) and naphthalene, requires the hydrocracking of heavy polyaromatics in the presence of nitrogen- and oxygen-containing compounds. The hydroconversion of phenanthrene, which occurs through bifunctional catalysis, was chosen as a model reaction. It was carried out over a sulphided Ni-Mo/Al/sub 2/O/sub 3/ catalyst (Ketjen 153) in the presence of carbazole and 1-naphthol. Carbazole poisons slightly through coking both the hydrogenating and the acid sites of the catalyst. 1-Naphthol has a more significant deactivating effect: the hydrogenating sites of the catalyst are poisoned by the water eliminated from 1-naphthol and the acid sites by coke generated by 1-naphthol. Lastly, the hydrogenating activity of the catalyst is not substantially affected in the presence of carbazole and 1-naphthol, but its cracking activity is much reduced, making it impossible for the catalyst to achieve the hydrocracking of phenanthrene into into light aromatics. 5 figs, 21 refs., 1 tab.

  6. Catalytic Steam Reforming of Toluene as a Model Compound of Biomass Gasification Tar Using Ni-CeO2/SBA-15 Catalysts

    Directory of Open Access Journals (Sweden)

    Erik Dahlquist

    2013-07-01

    Full Text Available Nickel supported on SBA-15 doped with CeO2 catalysts (Ni-CeO2/SBA-15 was prepared, and used for steam reforming of toluene which was selected as a model compound of biomass gasification tar. A fixed-bed lab-scale set was designed and employed to evaluate the catalytic performances of the Ni-CeO2/SBA-15 catalysts. Experiments were performed to reveal the effects of several factors on the toluene conversion and product gas composition, including the reaction temperature, steam/carbon (S/C ratio, and CeO2 loading content. Moreover, the catalysts were subjected to analysis of their carbon contents after the steam reforming experiments, as well as to test the catalytic stability over a long experimental period. The results indicated that the Ni-CeO2/SBA-15 catalysts exhibited promising capabilities on the toluene conversion, anti-coke deposition and catalytic stability. The toluene conversion reached as high as 98.9% at steam reforming temperature of 850 °C and S/C ratio of 3 using the Ni-CeO2(3wt%/SBA-15 catalyst. Negligible coke formation was detected on the used catalyst. The gaseous products mainly consisted of H2 and CO, together with a little CO2 and CH4.

  7. Influence of supports on catalytic behavior of nickel catalysts in carbon dioxide reforming of toluene as a model compound of tar from biomass gasification.

    Science.gov (United States)

    Kong, Meng; Fei, Jinhua; Wang, Shuai; Lu, Wen; Zheng, Xiaoming

    2011-01-01

    A series of supported Ni catalysts including Ni/MgO, Ni/γ-Al2O3, Ni/α-Al2O3, Ni/SiO2 and Ni/ZrO2 was tested in CO2 reforming of toluene as a model compound of tar from biomass gasification in a fluidized bed reactor, and characterized by the means of temperature programmed reduction with hydrogen (H2-TPR), XRD, TEM and temperature programmed oxidation (TPO). Combining the characterization results with the performance tests, the activity of catalyst greatly depended on Ni particles size, and the stability was affected by the coke composition. Both of them (Ni particle size and coke composition) were closely related to the interaction between nickel and support which would determine the chemical environment where Ni inhabited. The best catalytic performance was observed on Ni/MgO due to the strong interaction between NiO and MgO via the formation of Ni-Mg-O solid solution, and the highest dispersion of Ni particle in the basic environment. Copyright © 2010 Elsevier Ltd. All rights reserved.

  8. Modeling Tar Recirculation in Biomass Fluidized Bed Gasification

    NARCIS (Netherlands)

    Heineken, Wolfram; De la Cuesta de Cal, Daniel; Zobel, Nico

    2016-01-01

    A biomass gasification model is proposed and applied to investigate the benefits of tar recirculation within a gasification plant. In the model, tar is represented by the four species phenol, toluene, naphthalene, and benzene. The model is spatially one-dimensional, assuming plug flow for the

  9. UTILIZATION OF ACTIVATED ZEOLITE AS MOLECULAR SIEVE IN CHROMATOGRAPHIC COLUMN FOR SEPARATION OF COAL TAR COMPOUNDS

    Directory of Open Access Journals (Sweden)

    Dwi Retno Nurotul Wahidiyah

    2010-06-01

    Full Text Available Application of activated zeolite (ZAA as molecular sieve to separate compounds of coal tar from vaccum fractional distillation, have been done. The size of zeolite was 10-20 mesh and used as solid phase in column chromatography with length of 30 cm. The first step of the research was coal pyrolisis and the product (tar was distillated by fractional column and vaccum system at reduced pressure 44 cmHg and maximum temperature at 200 oC. The distillate from this procedure was flowed to the column chromatography of zeolite (ZAA. The compound absorbed by zeolite was eluted with varying solvents, i.e: CCl4, acetone and ethanol. Each fraction was then analyzed by gas chromatography. The results showed, zeolite have a capability to separate the compounds of tar and it tends to absorb medium hydrocarbon. The nonpolar eluent [CCl4] gives the better result in eluting tar compound than polar (ethanol or medium polar eluents (acetone.   Keywords: zeolite, coal tar, column chromatography

  10. Dissolution and transport of coal tar compounds in fractured clay-rich residuum

    DEFF Research Database (Denmark)

    Vulava, Vijay M.; McKay, Larry D.; Broholm, Mette Martina

    2012-01-01

    the importance of rapid dissolution and transport through the fracture networks. The concentrations continued to rise but did not reach the corresponding effective solubility limit in most cases. Compounds that were less soluble and those that were more susceptible to sorption or matrix diffusion eluted...... at a much slower rate. Analysis of contaminant concentrations in microcore residuum samples indicated that all 10 compounds had spread throughout the entire monolith and had diffused into the fine-grained matrix between fractures. These data suggest that the predominantly fine pore structure did not appear......We investigated the dissolution and transport of organic contaminants from a crude coal tar mixture in a monolith of fractured clay-rich residuum. An electrolyte solution was eluted through the residuum monolith containing a small emplaced source of coal tar under biologically inhibited and mildly...

  11. Modelling the low-tar BIG process; Modellering af low-tar BIG processen

    Energy Technology Data Exchange (ETDEWEB)

    Andersen, Lars Henrik

    2002-09-15

    This report describes the possibilities of integrating a biomass gasifier in a combined heat and power plant. The purpose of the study is, among others, to see if the gasification technology can challenge existing heat and power production methods. A research programme dealing with the construction of a low far gasifier (LT-BIG), which easily can be scaled to large gasification plants, is in progress. This report also contains a model formulation and implementation for this suggested low tar gasifier. All the models are created by the use of the energy simulation tool DNA. For some cases it has been necessary to develop new components or to alter existing components in DNA. Three different systems are considered; Gas Engine, Simple Cycle Gas Turbine and Combined Cycle. When biomass with and lower heating value of 19 MJ/kg and a moisture content of 50% is employed the subsequent results and designs are achieved: 1) The Engine plant utilizes the hot flue-gas to dry the biomass, but has difficulties taking advantage of the potential energy from the cooling of the syngas. An engine with a net electric efficiency of 40% at full load is computed to convert 38,5% of the energy content in the biomass to electricity. 2) The Simple Cycle Gas Turbine plant has good potential for integration with a gasifier. It dries the biomass by means of the flue-gas and recuperates the energy from the hot syngas to preheat the pressurised gas before it enters the combustion chamber. With an isentropic efficiency of 89% and a pressure ratio of 20, an electric efficiency of 38% is computed. 3) The Combined Cycle plant almost reach a computed efficiency of 45%. It utilises the cooling of the hot syngas to produce extra steam for the cycle, which results in a very steady efficiency, even when the moisture content of the fuel is changed. A grand parametric and sensitivity study of the LT-BIG model is carried out. The study includes estimates of the air demand for the gasifier and the partial

  12. Effect of water addition in a microwave assisted thermal cracking of biomass tar models

    International Nuclear Information System (INIS)

    Warsita, Aris; Al-attab, K.A.; Zainal, Z.A.

    2017-01-01

    Highlights: • Effective tar thermal treatment with water addition using microwave is proposed. • The reactor temperature of 1200 °C can be reached quickly at bed height 120 mm. • The optimum water to tar ratio W/T was 0.3 for tar models. • Temperature greatly effect tar removal at various W/T rates. - Abstract: Producer gas from biomass gasification is plagued by the presence of tar which causes pipe blockages. Thermal and catalytic treatments in a microwave reactor have been shown to be effective methods in removing tar from producer gas. A question arises as to the possibility of enhancing the removal mechanism by adding water into the reactor. Toluene and naphthalene were used as tar models in the present study with N_2 as the carrier gas followed by the use of simulated producer gas. Thermal treatment with various amount of water was added at temperatures in the range of 800–1200 °C. The tar removal efficiency obtained 95.83% at the optimum temperature of 1200 °C for naphthalene in for toluene 96.32% at 1050 °C at water to tar ratio (W/T) of 0.3. This study shows that the removal of tar by microwave irradiation with water addition is a significant and effective method in tar cracking.

  13. Aromatic oxygen compounds boiling from 180/sup 0/ to 225/sup 0/ from acid oils in low-temperature tar

    Energy Technology Data Exchange (ETDEWEB)

    Jaeger, A; Kattwinkel, G

    1950-01-01

    To determine the composition of the Krupp-Lurgi low-temperature coal tar and to develop methods for isolating the various compounds, a quantitative investigation was made of the dry tar acid mixture. The aromatic O compounds boiling up to 225/sup 0/ were secured by fractionation with one of the several columns that are described. Large volumes of tar were fractionated under vacuum in an apparatus with a 10-liter flask, electrically heated, and provided with a fractionating column (packed) with a jacket supplied by recirculated oil, externally heated. Large volumes were fractionated to give sufficient quantities of the O compounds. The method of fractional extraction, not described herein, made the separation of the acid oils by fractional distillation much easier. The aromatic O compounds present in greatest proportion are relatively easily isolated; those present in small quantities and more difficult to separate can be removed as a mixture, which can be hydrogenated directly to solvents. Phenols and cresols are formed in about equal fractions in low-temperature carbonization. Of the various xylenols, the sym-xylenol is present to the greatest extent. O compounds with longer side chains than C/sub 2/ were present only to a very slight extent. At the temperature of formation of these tars, side chains of three or more C atoms formed closed ring compounds (indan derivatives, etc.). Little change appears to occur up to 225/sup 0/ in the fractionation of these acid oils.

  14. Modelling of thermal removal of tars in a high temperature stage fed by a plasma torch

    International Nuclear Information System (INIS)

    Fourcault, A.; Marias, F.; Michon, U.

    2010-01-01

    The thermal degradation of tars in a chamber fed by a non-transferred plasma torch is theoretically examined in this study. The input of this reactor is a product gas coming from a gasification unit with a temperature of about 800 o C. According to literature, naphthalene and toluene are chosen as model compounds to represent the behaviour of their classes. According to this choice and to the data available in the literature, a reaction pathway for the thermal degradation of tars and its associated kinetics are proposed in this study. This mechanism is introduced in a CSTR model in order to check the influence of the operating parameters of the reactor on the degradation efficiency. These computations clearly show that a complete conversion of toluene (>99.9%) and an important conversion of naphthalene (96.7%) can be reached in the reactor, with concentration levels compatible with the further use of gas engines for electricity production. This theoretical study requires to be validated by comparison with experimental results.

  15. Modelling of thermal removal of tars in a high temperature stage fed by a plasma torch

    Energy Technology Data Exchange (ETDEWEB)

    Fourcault, A. [Laboratoire Thermique Energetique et Procedes, LaTEP-ENSGTI, rue Jules Ferry, BP 7511, 64075 Pau Cedex (France); Europlasma, 21 rue Daugere, 33520 Bruges (France); Marias, F. [Laboratoire Thermique Energetique et Procedes, LaTEP-ENSGTI, rue Jules Ferry, BP 7511, 64075 Pau Cedex (France); Michon, U. [Europlasma, 21 rue Daugere, 33520 Bruges (France)

    2010-09-15

    The thermal degradation of tars in a chamber fed by a non-transferred plasma torch is theoretically examined in this study. The input of this reactor is a product gas coming from a gasification unit with a temperature of about 800 C. According to literature, naphthalene and toluene are chosen as model compounds to represent the behaviour of their classes. According to this choice and to the data available in the literature, a reaction pathway for the thermal degradation of tars and its associated kinetics are proposed in this study. This mechanism is introduced in a CSTR model in order to check the influence of the operating parameters of the reactor on the degradation efficiency. These computations clearly show that a complete conversion of toluene (>99.9%) and an important conversion of naphthalene (96.7%) can be reached in the reactor, with concentration levels compatible with the further use of gas engines for electricity production. This theoretical study requires to be validated by comparison with experimental results. (author)

  16. Experimental comparison of biomass chars with other catalysts for tar reduction

    NARCIS (Netherlands)

    Abu El-Rub, Ziad; Bramer, Eduard A.; Brem, Gerrit

    2008-01-01

    In this paper the potential of using biomass char as a catalyst for tar reduction is discussed. Biomass char is compared with other known catalysts used for tar conversion. Model tar compounds, phenol and naphthalene, were used to test char and other catalysts. Tests were carried out in a fixed bed

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

    Energy Technology Data Exchange (ETDEWEB)

    Eric M. Suuberg; Vahur Oja

    1997-07-01

    This project had as its main focus the determination of vapor pressures of coal pyrolysis tars. It involved performing measurements of these vapor pressures and from them, developing vapor pressure correlations suitable for use in advanced pyrolysis models (those models which explicitly account for mass transport limitations). This report is divided into five main chapters. Each chapter is a relatively stand-alone section. Chapter A reviews the general nature of coal tars and gives a summary of existing vapor pressure correlations for coal tars and model compounds. Chapter B summarizes the main experimental approaches for coal tar preparation and characterization which have been used throughout the project. Chapter C is concerned with the selection of the model compounds for coal pyrolysis tars and reviews the data available to us on the vapor pressures of high boiling point aromatic compounds. This chapter also deals with the question of identifying factors that govern the vapor pressures of coal tar model materials and their mixtures. Chapter D covers the vapor pressures and heats of vaporization of primary cellulose tars. Chapter E discusses the results of the main focus of this study. In summary, this work provides improved understanding of the volatility of coal and cellulose pyrolysis tars. It has resulted in new experimentally verified vapor pressure correlations for use in pyrolysis models. Further research on this topic should aim at developing general vapor pressure correlations for all coal tars, based on their molecular weight together with certain specific chemical characteristics i.e. hydroxyl group content.

  18. Modelling the low-tar BIG gasification concept[Biomass Integrated gasification

    Energy Technology Data Exchange (ETDEWEB)

    Andersen, Lars; Elmegaard, B.; Qvale, B.; Henriksen, Ulrrik [Technical univ. of Denmark (Denmark); Bentzen, J.D.; Hummelshoej, R. [COWI A/S (Denmark)

    2007-07-01

    A low-tar, high-efficient biomass gasification concept for medium- to large-scale power plants has been designed. The concept is named 'Low-Tar BIG' (BIG = Biomass Integrated Gasification). The concept is based on separate pyrolysis and gasification units. The volatile gases from the pyrolysis (containing tar) are partially oxidised in a separate chamber, and hereby the tar content is dramatically reduced. Thus, the investment, and running cost of a gas cleaning system can be reduced, and the reliability can be increased. Both pyrolysis and gasification chamber are bubbling fluid beds, fluidised with steam. For moist fuels, the gasifier can be integrated with a steam drying process, where the produced steam is used in the pyrolysis/gasification chamber. In this paper, mathematical models and results from initial tests of a laboratory Low-Tar BIG gasifier are presented. Two types of models are presented: 1. The gasifier-dryer applied in different power plant systems: Gas engine, Simple cycle gas turbine, Recuperated gas turbine and Integrated Gasification and Combined Cycle (IGCC). The paper determines the differences in efficiency of these systems and shows that the gasifier will be applicable for very different fuels with different moisture contents, depending on the system. 2. A thermodynamic Low-Tar BIG model. This model is based on mass and heat balance between four reactors: Pyrolysis, partial oxidation, gasification, gas-solid mixer. The paper describes the results from this study and compares the results to actual laboratory tests. The study shows, that the Low-Tar BIG process can use very wet fuels (up to 65-70% moist) and still produce heat and power with a remarkable high electric efficiency. Hereby the process offers the unique combination of large scale gasification and low-cost gas cleaning and use of low-cost fuels which very likely is the necessary combination that will lead to a breakthrough of gasification technology. (au)

  19. Tar removal from biosyngas in the biomass gasification process. (Liquid + liquid) equilibrium {water + solvent (paraxylene and methyl hexadecanoate) + model molecules of tar (benzene, toluene, phenol)}

    International Nuclear Information System (INIS)

    Bassil, Georgio; Mokbel, Ilham; Abou Naccoul, Ramy; Stephan, Juliette; Jose, Jacques; Goutaudier, Christelle

    2012-01-01

    Highlights: ► (Liquid + liquid) equilibria at atmospheric pressure. ► Solubility of benzene (or toluene or phenol) in paraxylene at (303 to 343) K. ► Solubility of benzene (or toluene or phenol) in methyl palmitate or methyl hexadecanoate at (303 to 343) K. ► Correlation of LLE using NRTL model. - Abstract: Tar is generated in the process by the condensation of the gas resulting from biomass gasification. The objective of this work is a contribution to the database on thermodynamic quantity which will be useful at the operation of tar removal from aqueous medium. With this aim, (liquid + liquid) equilibrium of {water + solvent (paraxylene and methyl hexadecanoate) + model molecules of tar (benzene, toluene, phenol)} was studied at temperatures (303.2, 323.2, and 343.2) K. The data obtained were correlated with the non-random two-liquid (NRTL) model.

  20. Performance Measurement Model A TarBase model with ...

    Indian Academy of Sciences (India)

    rohit

    Model A 8.0 2.0 94.52% 88.46% 76 108 12 12 0.86 0.91 0.78 0.94. Model B 2.0 2.0 93.18% 89.33% 64 95 10 9 0.88 0.90 0.75 0.98. The above results for TEST – 1 show details for our two models (Model A and Model B).Performance of Model A after adding of 32 negative dataset of MiRTif on our testing set(MiRecords) ...

  1. ANALYSIS OF MEASURED AND MODELED SOLAR RADIATION AT THE TARS SOLAR HEATING PLANT IN DENMARK

    DEFF Research Database (Denmark)

    Tian, Zhiyong; Perers, Bengt; Furbo, Simon

    2017-01-01

    , such as solar radiation, inlet and outlet temperature for the solar collector field, flow rate and pressure, ambient temperature, Wind speed and wind direction were measured. Global horizontal radiation, direct normal irradiation (DNI) and total radiation on the tilted collector plane of the flat plate...... collector field have been measured in Tars solar heating plant. To determine the accuracy of modeled and measured solar radiation in Tars solar heating plant, monthly comparisons of measured and calculated radiation using 6 empirical models have been carried out. Comparisons of measured and modeled total......A novel combined solar heating plant with tracking parabolic trough collectors (PTC) and flat plate collectors (FPC) has been constructed and put into operation in Tars, 30 km north of Aalborg, Denmark in August 2015. To assess the operation performance of the plant, detailed parameters...

  2. Catalytic hydroprocessing of simulated coal tars. 2. Effect of acid catalysts on the hydroconversion of model compounds on a sulphided Ni-Mo/Al/sub 2/O/sub 3/ catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Lemberton, J.L.; Touzeyidio, M.; Guisnet, M. (Laboratoire de Catalyse en Chimie Organique CNRS, Poitiers (France))

    1989-09-15

    Acid catalysts were added to sulphided Ni-Mo/Al/sub 2/O/sub 3/ catalyst in order to obtain a higher hydrocracking activity. The hydroconversion of phenanthrene, alone or in the presence of carbazole and/or 1-naphthol, was chosen as a model reaction. The presence of acid catalysts greatly increases the conversion of phenanthrene and allows significant amounts of light products to be obtained. In the presence of carbazole or of 1-naphthol, acid catalysts create a small increase in phenanthrene conversion, but light products are no longer obtained as the acid sites are poisoned either by adsorption of ammonia from carbazole decomposition, or by extensive coke deposition generated from 1-naphthol. In the presence of carbazole and 1-naphthol, there is no longer any effect of the acid catalysts on the hydroconversion of phenanthrene, owing to complete inhibition of the acid sites. 12 refs., 5 tabs.

  3. Fresh tar (from biomass gasification) destruction with downstream catalysts: comparison of their intrinsic activity with a realistic kinetic model

    Energy Technology Data Exchange (ETDEWEB)

    Corella, J.; Narvaez, I.; Orio, A. [Complutense Univ. of Madrid (Spain). Dept. of Chemical Engineering

    1996-12-31

    A model for fresh tar destruction over catalysts placed downstream a biomass gasifier is presented. It includes the stoichio-metry and the calculation of the kinetic constants for the tar destruction. Catalysts studied include commercial Ni steam reforming catalysts and calcinated dolomites. Kinetic constants for tar destruction are calculated for several particle sizes, times- on-stream and temperatures of the catalyst and equivalence ratios in the gasifier. Such intrinsic kinetic constants allow a rigorous or scientific comparison of solids and conditions to be used in an advanced gasification process. (orig.) 4 refs.

  4. Fresh tar (from biomass gasification) destruction with downstream catalysts: comparison of their intrinsic activity with a realistic kinetic model

    Energy Technology Data Exchange (ETDEWEB)

    Corella, J; Narvaez, I; Orio, A [Complutense Univ. of Madrid (Spain). Dept. of Chemical Engineering

    1997-12-31

    A model for fresh tar destruction over catalysts placed downstream a biomass gasifier is presented. It includes the stoichio-metry and the calculation of the kinetic constants for the tar destruction. Catalysts studied include commercial Ni steam reforming catalysts and calcinated dolomites. Kinetic constants for tar destruction are calculated for several particle sizes, times- on-stream and temperatures of the catalyst and equivalence ratios in the gasifier. Such intrinsic kinetic constants allow a rigorous or scientific comparison of solids and conditions to be used in an advanced gasification process. (orig.) 4 refs.

  5. Integron gene cassettes and degradation of compounds associated with industrial waste: the case of the Sydney tar ponds.

    Directory of Open Access Journals (Sweden)

    Jeremy E Koenig

    Full Text Available Integrons are genetic platforms that accelerate lateral gene transfer (LGT among bacteria. They were first detected on plasmids bearing single and multiple drug resistance determinants in human pathogens, and it is abundantly clear that integrons have played a major role in the evolution of this public health menace. Similar genetic elements can be found in nonpathogenic environmental bacteria and in metagenomic environmental DNA samples, and it is reasonable to suppose that integrons have facilitated microbial adaptation through LGT in niches outside infectious disease wards. Here we show that a heavily impacted estuary, exposed for almost a century to products of coal and steel industries, has developed a rich and unique cassette metagenome, containing genes likely to aid in the catabolism of compounds associated with industrial waste found there. In addition, we report that the most abundant cassette recovered in this study is one that encodes a putative LysR protein. This autoregulatory transcriptional regulator is known to activate transcription of linked target genes or unlinked regulons encoding diverse functions including chlorocatechol and dichlorophenol catabolism. Finally, only class 1 integrase genes were amplified in this study despite using different primer sets, and it may be that the cassettes present in the Tar Ponds will prove to be associated with class 1 integrase genes. Nevertheless, our cassette library provides a snapshot of a complex evolutionary process involving integron-meditated LGT likely to be important in natural bioremediation.

  6. Determination of phenol in tar

    Energy Technology Data Exchange (ETDEWEB)

    Dierichs, A; Heinichen, G

    1955-01-01

    During low-temperature carbonization of lignite, the phenols and other oxygenated compounds appear both in the aqueous-process liquor and in the tar. Measurements of these oxygenated components resulting from low-temperature carbonization may serve as a parameter for the classification of lignites. However, such measurements are complicated by the instability of the tar and the complex nature of some of the acidic substances. Difficulties with the previous methods of analysis are reviewed. The present method outlines separation of aqueous-process liquor from lignite tar in a Fischer retort, followed by determination of phenols and fatty acids in the tar phase. The jacketed tar receiver is washed with 300 milliliter xylol and treated with aqueous caustic washes. Neutral oils are separated from the aqueous alkali solution. It is then extracted with ether and finally acidified with HCl. Solids are filtered off, and phenols and fatty acids are separated by Na/sub 2/CO/sub 3/ solution.

  7. A source mixing model to apportion PAHs from coal tar and asphalt binders in street pavements and urban aquatic sediments

    Energy Technology Data Exchange (ETDEWEB)

    Ahrens, M.J.; Depree, C.V. [National Institute of Water & Atmospheric Research, Hamilton (New Zealand)

    2010-12-15

    Present-day and more than 30 years old road and footpath pavements from Auckland, New Zealand were analysed for PAHs to test the hypothesis that coal tar based pavement binders contribute to unusually high PAH concentrations in adjacent stream and estuarine sediments Total PAH ({Sigma}{sub 28}PAH) concentrations in the dichloromethane-soluble fraction ('binder'), comprising 5-10% of pavement mass, were as high as 200 000 mg kg{sup -1}(10 000 mg kg{sup -1} in binder + aggregate) Older and deeper pavement layers were strongly pyrogenic, whereas pavement layers from recently sealed roads had a more petrogenic composition and more than 1000 times lower Sigma(28)PAH concentrations. Source identification analysis using three PAH isomer ratio pairs (benz(a)anthracene/(benz(a)anthracene + chrysene), benzo(a)pyrene/(benzo(a)pyrene + benzo(e)pyrene)), and indeno(1,2,3-cd)pyrene/(indeno(1,2,3-cd)pyrene + benzo(g,h,i)perylene) revealed low PAH (bitumen) pavements to have consistently lower isomer ratios than high PAH (coal tar) samples. A concentration-weighted mixing model, with coal tar and bitumen as source materials, explained more than 80% of the variance in isomer ratios and enveloped the entire PAH compositional and concentration range encountered PAH composition and concentrations in adjacent stream sediments ({gt} 15 mg kg{sup -1} dry weight) were consistent with diluted coal tar material as a principal PAH source. Due to the very high PAH concentrations of coal tar, a coal tar content of as little as 0.01% of total sediment mass can account for more than 90% of PAH concentrations in adjacent stream sediments.

  8. Compound semiconductor device modelling

    CERN Document Server

    Miles, Robert

    1993-01-01

    Compound semiconductor devices form the foundation of solid-state microwave and optoelectronic technologies used in many modern communication systems. In common with their low frequency counterparts, these devices are often represented using equivalent circuit models, but it is often necessary to resort to physical models in order to gain insight into the detailed operation of compound semiconductor devices. Many of the earliest physical models were indeed developed to understand the 'unusual' phenomena which occur at high frequencies. Such was the case with the Gunn and IMPATI diodes, which led to an increased interest in using numerical simulation methods. Contemporary devices often have feature sizes so small that they no longer operate within the familiar traditional framework, and hot electron or even quantum­ mechanical models are required. The need for accurate and efficient models suitable for computer aided design has increased with the demand for a wider range of integrated devices for operation at...

  9. Tar Removal from Biomass Producer Gas by Using Biochar

    DEFF Research Database (Denmark)

    Ravenni, Giulia; Henriksen, Ulrik Birk; Ahrenfeldt, Jesper

    2017-01-01

    The biomass-derived char (biochar) produced in the gasifier as a residue, is a potential solution for removing tars from producer gas. This work investigates the interaction between tar compounds and biochar. Residual biochar from a TwoStage gasifier was tested as bed material in a laboratory setup....... Phenol and naphthalene were chosen as model tars, and entrained in a nitrogen flow. The gaseous stream was sampled before and after the biochar bed to evaluate the extent of conversion. The biochar bed (30g) was tested at 250°C, 500°C and 600°C, with for 3 consecutive hours. The compounds concentration...... in the gas phase was quantified by stable isotope dilution analysis, using Gas Chromatography-Mass Spectrometry (GC-MS). Results showed a significant effect of biochar on the removal of phenol, at all temperatures. Naphthalene was removed less efficiently at higher temperature, and this trend was even more...

  10. Coal Tar and Coal-Tar Pitch

    Science.gov (United States)

    Learn about coal-tar products, which can raise your risk of skin cancer, lung cancer, and other types of cancer. Examples of coal-tar products include creosote, coal-tar pitch, and certain preparations used to treat skin conditions such as eczema, psoriasis, and dandruff.

  11. Analysis of tars produced in biomass gasification

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, J.; Wang, Y.; Kinoshita, C.M. [Univ. of Hawaii, Honolulu, HI (United States)

    1993-12-31

    Parametric tests on tar formation, varying temperature, equivalence ratio, and residence time, are performed on a bench-scale, indirectly-heated fluidized bed gasifier. Prepared tar samples are analyzed in a gas chromatograph (GC) with a flame ionization detector, using a capillary column. Standards containing dominant tar species have been prepared for GC calibration. The identified peaks include single-ring hydrocarbons, such as benzene, to five-ring hydrocarbons, such as perylene; depending on the gasification conditions, the identified species represent about 70 to 90% (mass basis) of the tar constituents. Under all conditions tested, benzene and naphthalene were the most dominant species. Temperature and equivalence ratio have significant effect on tar yield and tar composition. Tar yield decreases with increasing temperature or equivalence ratio. The test results suggest that lower temperature favors the formation of more aromatic tar species with diversified substituent groups, while higher temperature favors the formation of fewer aromatic tar species without substituent groups. Higher temperature or equivalence ratio favors the formation of polyaromatic compounds. Oxygen-containing compounds exist in significant quantities only at temperature below 800{degrees}C and decrease with increasing temperature, equivalence ratio, or residence time.

  12. Estimating release of polycyclic aromatic hydrocarbons from coal tar at manufactured-gas plant sites

    International Nuclear Information System (INIS)

    Loehr, R.C.; Rao, P.S.C.; Lee, L.S.; Okuda, I.

    1992-08-01

    One component of the EPRI's research on Envirorunental Behavior of Organic Substances (EBOS) consists of developing information and models to predict releases of monocyclic and polycyclic aromatic hydrocarbons (MAHs and PAHs) to groundwater from coal tars and contaminated soils at MGP sites. The results of this report focus primarily on release of PAHs from coal tars. There are at least two approaches to predicting the release of organic chemicals from coal tar to water. The simplest method to estimate aqueous concentrations is to assume that water solubility of a PAH compound released from the tar can be defined by equilibrium precipitation-dissolution reactions. Application of Raoult's law is another method to predict aqueous concentrations, which requires the assumption of ''ideal'' behavior for partitioning of PAHs between the tar and water phases. To evaluate the applicability of these two methods for predicting PAH releases, laboratory experiments were conducted with eight coal tar samples from former MGP sites across the country. Migration of chemicals in the environment and resulting contaminant plumes in groundwater are determined by leachate concentrations of the chemicals. The use of equilibrium precipitation-dissolution reactions will usually result in an overestimation of PAH concentrations in the leachate from a coal tar source, and thus the resulting PAH concentrations in groundwater. Raoult's law appears to be a more accurate approach to predicting the release of several PAHs from coal tars. Furthermore, if nonequilibrium conditions prevail, aqueous-phase PAH concentrations will be even lower than those predicted using Raoult's law

  13. Hot and Dry Cleaning of Biomass-Gasified Gas Using Activated Carbons with Simultaneous Removal of Tar, Particles, and Sulfur Compounds

    Directory of Open Access Journals (Sweden)

    Kinya Sakanishi

    2012-05-01

    Full Text Available This study proposes a gas-cleaning process for the simultaneous removal of sulfur compounds, tar, and particles from biomass-gasified gas using Fe-supported activated carbon and a water-gas shift reaction. On a laboratory scale, the simultaneous removal of H2S and COS was performed under a mixture of gases (H2/CO/CO2/CH4/C2H4/N2/H2S/COS/steam. The reactions such as COS + H2 → H2S + CO and COS + H2O → H2S + CO2 and the water-gas shift reaction were promoted on the Fe-supported activated carbon. The adsorption capacity with steam was higher than that without steam. On a bench scale, the removal of impurities from a gas derived from biomass gasification was investigated using two activated filters packed with Fe-supported activated carbon. H2S and COS, three- and four-ring polycyclic aromatic hydrocarbons (PAHs, and particles were removed and a water-gas shift reaction was promoted through the first filter at 320–350 °C. The concentrations of H2S and COS decreased to less than 0.1 ppmv. Particles and the one- and two-ring PAHs, except for benzene, were then removed through the second filter at 60–170 °C. The concentration of tar and particles decreased from 2428 to 102 mg Nm−3 and from 2244 to 181 mg Nm−3, respectively.

  14. Tar bases in low-temperature coal tar

    Energy Technology Data Exchange (ETDEWEB)

    Sugiura, S; Ueno, H; Yokoyama, H

    1951-01-01

    Tar bases were extracted from three fractions, that boil below 260/sup 0/ at 260/sup 0/ to 280/sup 0/, and 280/sup 0/ to 330/sup 0/, respectively, of the low-temperature tar obtained by the carbonization of Ube coal in a Koppers' vertical retort at approximately 750/sup 0/. These were divided, respectively, into three groups, acetate-forming amine, HCl salt-forming bases (I), and CHCl/sub 3/-soluble bases (II), and further fractionally distilled. From the physical and chemical properties of the fractions thus obtained, it was concluded that low-temperature coal tar contained no low boiling pyridine homologues and that, besides higher homologues of pyridine, nonaromatic, more saturated, and less basic compounds of larger atomic weight and smaller refractive index, such as derivatives of pyrrole and indole, also existed as in crude petroleum.

  15. Comparison of Bayesian and frequentist approaches in modelling risk of preterm birth near the Sydney Tar Ponds, Nova Scotia, Canada

    Directory of Open Access Journals (Sweden)

    Canty Angelo

    2007-09-01

    Full Text Available Abstract Background This study compares the Bayesian and frequentist (non-Bayesian approaches in the modelling of the association between the risk of preterm birth and maternal proximity to hazardous waste and pollution from the Sydney Tar Pond site in Nova Scotia, Canada. Methods The data includes 1604 observed cases of preterm birth out of a total population of 17559 at risk of preterm birth from 144 enumeration districts in the Cape Breton Regional Municipality. Other covariates include the distance from the Tar Pond; the rate of unemployment to population; the proportion of persons who are separated, divorced or widowed; the proportion of persons who have no high school diploma; the proportion of persons living alone; the proportion of single parent families and average income. Bayesian hierarchical Poisson regression, quasi-likelihood Poisson regression and weighted linear regression models were fitted to the data. Results The results of the analyses were compared together with their limitations. Conclusion The results of the weighted linear regression and the quasi-likelihood Poisson regression agrees with the result from the Bayesian hierarchical modelling which incorporates the spatial effects.

  16. Molecular modeling of inorganic compounds

    National Research Council Canada - National Science Library

    Comba, Peter; Hambley, Trevor W; Martin, Bodo

    2009-01-01

    ... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

  17. Evaluation of different oxygen carriers for biomass tar reforming

    DEFF Research Database (Denmark)

    Mendiara, Teresa; Johansen, Joakim Myung; Utrilla, Rubén

    2011-01-01

    , in a concentration of 600–2000ppmv, was chosen as a tar model compound. Experiments were performed in a TGA apparatus and a fixed bed reactor. Four oxygen carriers (60% NiO/MgAl2O4 (Ni60), 40% NiO/NiAl2O4 (Ni40), 40% Mn3O4/Mg–ZrO2 (Mn40) and FeTiO3 (Fe)) were tested under alternating reducing/oxidizing cycles...

  18. Coal tar in dermatology

    Energy Technology Data Exchange (ETDEWEB)

    Roelofzen, J.H.J.; Aben, K.K.H.; Van Der Valk, P.G.M.; Van Houtum, J.L.M.; Van De Kerkhof, P.C.M.; Kiemeney, L.A.L.M. [Radboud University Nijmegen Medical Center, Nijmegen (Netherlands). Dept. of Dermatology

    2007-07-01

    Coal tar is one of the oldest treatments for psoriasis and eczema. It has anti-inflammatory, antibacterial, antipruritic and antimitotic effects. The short-term side effects are folliculitis, irritation and contact allergy. Coal tar contains carcinogens. The carcinogenicity of coal tar has been shown in animal studies and studies in occupational settings. There is no clear evidence of an increased risk of skin tumors or internal tumors. Until now, most studies have been fairly small and they did not investigate the risk of coal tar alone, but the risk of coal tar combined with other therapies. New, well-designed, epidemiological studies are necessary to assess the risk of skin tumors and other malignancies after dermatological use of coal tar.

  19. Distilling tar; distillation, destructive

    Energy Technology Data Exchange (ETDEWEB)

    Brash, P; Young, W

    1866-09-17

    The tarry residue, which separates on treating crude shale oil with sulfuric acid, is redistilled, in the manner described in Specification No. 1278, A.D. 1866, together with shale. Previous to the distillation, the acid is neutralized with lime, or may be separated by blowing steam into the tar and adding salt. The purified tar thus obtained is absorbed by ashes, or is mixed with lime or other alkaline matter, or the shale may be mixed with lime and distilled with the tar, which is allowed to flow over and through the shale during the process. The tar obtained in the purification of natural paraffin may be similarly utilized.

  20. Modeling the effects of climate and land use change on instream temperature in the Upper Tar River, North Carolina

    Science.gov (United States)

    Daraio, J. A.; Bales, J. D.

    2011-12-01

    Freshwater mussels are among the most imperiled groups of organisms in the world. Declines in abundance and diversity in North America have been attributed to a wide range of human activities, and many species occur in habitats close to their upper thermal tolerance. We are modeling instream temperature (T) as part of an effort to understand the response of imperiled freshwater mussels to anthropogenically induced changes in water T, habitat, and flow. We used the Precipitation-Runoff Modeling System (PRMS) to model projected changes in stream discharge, and the Stream Network Temperature Model (SNTEMP) to model changes in instream T due to climate and land-use change in the Upper Tar River, North Carolina, which has a drainage area of 2200 mi^2. Down-scaled gridded 12km Global Circulation Models were used for precipitation and T inputs to PRMS simulations from the present through 2060. Land-use change through 2060 in the Upper Tar basin was estimated from SLEUTH, a model that estimates land-use change using the probability of urbanization, (results available from NC State University) and incorporated into PRMS for long term simulations. Stream segment discharge and lateral and groundwater flow into each stream segment from PRMS were used as input for SNTEMP. Groundwater T was assumed equal to the average annual air T for the basin. Lateral inflow T was estimated from physical characteristics of the basin (e.g. impervious area, cover density, cover type, solar radiation, air T) when possible, or from a regression with air T based on empirical field data at 20 sites throughout the basin. In addition to T, data on mussel and fish populations (e.g., density and species composition?) and microhabitat have been collected at these sites. The SNTEMP model was calibrated using the mean daily T at each site. Nash-Sutcliffe efficiency values ranged from 0.86 to 0.94 for mean daily T, and from 0.80 to 0.93 for maximum daily T. Ensemble simulations were run for a range of

  1. Release of polyaromatic hydrocarbons from coal tar contaminated soils

    International Nuclear Information System (INIS)

    Priddy, N.D.; Lee, L.S.

    1996-01-01

    A variety of process wastes generated from manufactured gas production (MGP) have contaminated soils and groundwater at production and disposal sites. Coal tar, consisting of a complex mixture of hydrocarbons present as a nonaqueous phase liquid, makes up a large portion of MGP wastes. Of the compounds in coal tar, polyaromatic hydrocarbons (PAHs) are the major constituents of environmental concern due to their potential mutagenic and carcinogenic hazards. Characterization of the release of PAHs from the waste-soil matrix is essential to quantifying long-term environmental impacts in soils and groundwater. Currently, conservative estimates for the release of PAHs to the groundwater are made assuming equilibrium conditions and using relationships derived from artificially contaminated soils. Preliminary work suggests that aged coal tar contaminated soils have much lower rates of desorption and a greater affinity for retaining organic contaminants. To obtain better estimates of desorption rates, the release of PAHs from a coal tar soil was investigated using a flow-interruption, miscible displacement technique. Methanol/water solutions were employed to enhance PAH concentrations above limits of detection. For each methanol/water solution employed, a series of flow interrupts of varying times was invoked. Release rates from each methanol/water solution were estimated from the increase in concentration with duration of flow interruption. Aqueous-phase release rates were then estimated by extrapolation using a log-linear cosolvency model

  2. Deciphering structure-activity relationships in a series of Tat/TAR inhibitors.

    Science.gov (United States)

    Pascale, Lise; González, Alejandro López; Di Giorgio, Audrey; Gaysinski, Marc; Teixido Closa, Jordi; Tejedor, Roger Estrada; Azoulay, Stéphane; Patino, Nadia

    2016-11-01

    A series of pentameric "Polyamide Amino Acids" (PAAs) compounds derived from the same trimeric precursor have been synthesized and investigated as HIV TAR RNA ligands, in the absence and in the presence of a Tat fragment. All PAAs bind TAR with similar sub-micromolar affinities but their ability to compete efficiently with the Tat fragment strongly differs, IC50 ranging from 35 nM to >2 μM. While NMR and CD studies reveal that all PAA interact with TAR at the same site and induce globally the same RNA conformational change upon binding, a comparative thermodynamic study of PAA/TAR equilibria highlights distinct TAR binding modes for Tat competitor and non-competitor PAAs. This led us to suggest two distinct interaction modes that have been further validated by molecular modeling studies. While the binding of Tat competitor PAAs induces a contraction at the TAR bulge region, the binding of non-competitor ones widens it. This could account for the distinct PAA ability to compete with Tat fragment. Our work illustrates how comparative thermodynamic studies of a series of RNA ligands of same chemical family are of value for understanding their binding modes and for rationalizing structure-activity relationships.

  3. Treatment of lignite tars, etc

    Energy Technology Data Exchange (ETDEWEB)

    1936-08-07

    A process is described for treating tars such as lignite tar, shale tar, or peat tar, and similar tars, characterized by the fact that the tar is rectified to about 240/sup 0/C and the residue brought to a temperature above 50/sup 0/C after diluting with a product of the type of gasoline or ligroin at about 30/sup 0/C and treated with selective solvents preferably low-boiling phenols and eventually with water.

  4. Indian coal tars. II

    Energy Technology Data Exchange (ETDEWEB)

    Basu, A N; Bhatnagar, J N; Roy, A K

    1954-01-01

    Laboratory experiments were carried out on these efforts: (1) rank and specific-gravity fractions on tar yield; (2) addition of water to the coal charge, or steam during carbonization, on yield of tar and tar acids; (3) the presence of a cracking agent (shale) with and without steam addition on the yield of tar and tar acids (the particular shale used without steam reduced the yield, and the restricted use of steam brought the yield to the former noncatalyzed level); and (4) catalytic effect of three different samples of shale, firebrick, quartz, coke, and silica-alumina on the cracking of tar acids (the most active were two of the shales, a freshly-prepared coke, and the Al/sub 2/O/sub 3/-SiO/sub 2/ catalysts that gave conversion up to 98%). The products were mainly carbon, aromatic hydrocarbons of the naphthalene series and gases (CO and H/sub 2/). The yield of the tar becomes less as coal of lower specific gravity is used or when higher temperatures are used for carbonization. The mineral matter associated with Indian coals acts as a decomposition catalyst for tar acids, as shown by experiments on the decomposition of PhOH at temperatures above 800/sup 0/.

  5. Process of treating tars

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, C; Hempel, H; Weissenburger, H

    1955-05-05

    A process is described for treating tars or tar oils, especially carbonization tars, characterized in that the tars or tar oils are mixed with benzene or light oils which contain no aromatic material or only slight amounts, or with gas oil in such amounts that the asphalt precipitates, and after separation of the precipitated material the mixture is treated with caustic solution for separation of the phenols, and after separation of the phenolate liquor the mixture is subjected to heating for removal of the dilution medium, then the remaining oil can be used as heating oil or it is submitted to distillation for the purpose of recovering a fuel suitable for diesel motors, while the phenolate liquor is worked up into phenols.

  6. Sunflower oil in the treatment of hot tar burns.

    Science.gov (United States)

    Türegün, M; Oztürk, S; Selmanpakoğlu, N

    1997-08-01

    Hot tar burns compose a unique class of thermal injury, because removal of this highly sticky compound may be very difficult without inflicting additional tissue damage. Early removal of tar facilitates assessment of the burn and improves patient comfort. Although the use of many substances for the painless removal of tar has been described, we used sunflower oil effectively in the treatment of four tar burn patients. This first report describes the practical and successful use of sunflower oil which was easily obtained from the hospital kitchen.

  7. Reaction Mechanism of Tar Evolution in Biomass Steam Gasification for Hydrogen Production

    International Nuclear Information System (INIS)

    Shingo Katayama; Masahiro Suzuki; Atsushi Tsutsumi

    2006-01-01

    Reaction mechanism of tar evolution in steam gasification of biomass was investigated with a continuous cross-flow moving bed type differential reactor, in which tar and gases can be fractionated according to reaction time. We estimated that time profile of tar and gas evolution in the gasification of cellulose, xylan, and lignin, and compared it with experimental product time profile of real biomass gasification. The experimental tar evolution rate is different from estimated tar evolution rate. The estimated tar evolution rate has a peak at 20 s. On the other hand, the experimental tar evolution rate at 20 s is little, and tar at initial stage includes more water-soluble and water-insoluble compounds. It can be concluded that in the real biomass steam gasification the evolution of tar from cellulose and lignin component was found to be precipitated by that from hemi-cellulose component. (authors)

  8. Hydroconversion of coal tars: effect of the temperature of pyrolysis on the reactivity of tars

    Energy Technology Data Exchange (ETDEWEB)

    Lemberton, J.L.; Touzeyidio, M.; Guisnet, M.

    1988-12-01

    The hydroconversion of a low-temperature and of a high-temperature tar was carried out in the presence of a sulfided Ni and Mo on alumina catalyst - pure or mixed with an acid catalyst (HY zeolite). Significant amounts of light products can be obtained from low temperature tar, formed however through a non-catalytic process. On the contrary, there is a slight catalytic effect during the hydroprocessing of high temperature tar, but the yield in light products is very low. These results can be explained by an extensive poisoning of the NiMo on alumina catalyst by coke which is initiated by the O- and N-containing compounds of the tars. 10 refs., 1 fig., 3 tabs.

  9. A Mathematical Model of a Thermally Activated Roof (TAR Cooling System Using a Simplified RC-Thermal Model with Time Dependent Supply Water Temperature

    Directory of Open Access Journals (Sweden)

    Khalid Ahmed Joudi

    2017-01-01

    Full Text Available This paper presents a computer simulation model of a thermally activated roof (TAR to cool a room using cool water from a wet cooling tower. Modeling was achieved using a simplified 1-D resistance-capacitance thermal network (RC model for an infinite slab. Heat transfer from the cooling pipe network was treated as 2-D heat flow. Only a limited number of nodes were required to obtain reliable results. The use of 6th order RC-thermal model produced a set of ordinary differential equations that were solved using MATLAB - R2012a. The computer program was written to cover all possible initial conditions, material properties, TAR system geometry and hourly solar radiation. The cool water supply was considered time dependent with the variation of the ambient wet bulb temperature. Results from RC-thermal modeling were compared with experimental measurements for a second story room measuring 5.5 m x 4 m x 3 m at Amarah city/ Iraq (31.865 ˚N, 47.128 ˚E for 21 July, 2013. The roof was constructed of 200 mm concrete slab, 150 mm turf and 50 mm insulation. Galvanized 13 mm steel pipe coils were buried in the roof slab with a pipe occupation ratio of 0.12. The walls were constructed of 240 mm common brick with 10mm cement plaster on the inside and outside surfaces and 20 mm Styrofoam insulation on the inside surface and covered with PVC panel. Thermistors were used to measure the indoor and outdoor temperatures, TAR system water inlet and outlet temperatures and temperature distribution inside the concrete slab. The effect of pipe spacing and water mass flow rate were evaluated. Agreement was good between the experimental and RC-thermal model. Concrete core temperature reaches the supply water temperature faster for lower pipe spacing. Heat extracted from the space increased with water mass flow rate to an optimum of 0.0088 kg/s.m².

  10. Bioremediation potential of coal-tar-oil-contaminated soil

    International Nuclear Information System (INIS)

    Lajoie, C.A.

    1991-01-01

    The bioremediation of coal tar oil contaminated soil was investigated in 90 day laboratory simulation experiments. The effect of soil moisture, humic acid amendment, and coal tar oil concentration on the rate of disappearance of individual coal tar oil constituents (PAHs and related compounds) was determined by methylene chloride extraction and gas chromatography. Mass balance experiments determined the fate of both the individual 14 C-labeled PAHs phenanthrene, pyrene, and benzo(a)pyrene, and the total coal tar oil carbon. Mineralization, volatilization, incorporation into microbial biomass, disappearance of individual coal tar oil constitutents, and the distribution of residual 14 C-activity in different soil fractions were measured. The rate of disappearance of coal tar oil constituents increased with increasing soil moisture over the experimental range. Humic acid amendment initially enhanced the rate of disappearance, but decreased the extent of disappearance. The amount of contamination removed decreased at higher coal tar oil concentrations. The practical limit for biodegradation in the system tested appeared to be between 1.0 and 2.5% coal tar oil. Mineralization accounted for 40 to 50% of the applied coal tar oil. Volatilization was a minor pathway of disappearance

  11. The role of char and tar in determining the gas-phase partitioning of nitrogen during biomass gasification

    International Nuclear Information System (INIS)

    Broer, Karl M.; Brown, Robert C.

    2015-01-01

    Highlights: • Switchgrass was gasified at an equivalence ratio of zero and 650–850 °C. • Short residence times were employed to minimize secondary reactions. • Char- and tar-bound nitrogen, NH_3, HCN, and N_2 were all significant products. • Increasing temperature leads to increased release of gaseous nitrogen compounds. • Kinetic models of gasification should include nitrogen release from char and tar. - Abstract: Gasification is an attractive option for converting biomass into fuels and chemicals. Most biomass contains significant amounts of fuel-bound nitrogen (FBN), which partially converts into ammonia (NH_3) and hydrogen cyanide (HCN) during gasification. These nitrogen compounds are problematic as they can lead to NO_X emissions or catalyst poisoning in downstream applications of syngas. FBN can convert to other products as well, including diatomic nitrogen (N_2), char-bound nitrogen (char-N), and tar-bound nitrogen (tar-N). Efforts to predict concentrations of NH_3 and HCN have been hindered by a lack of accurate, comprehensive measurements of nitrogen partitioning among gasification products. The present study gasified switchgrass under allothermal, short residence time conditions and measured NH_3, HCN, char-N, and tar-N as a function of temperature in the range of 650–850 °C with diatomic nitrogen determined by difference. It was found that a major portion of FBN was retained in the char and tar products. As temperature was increased, char and tar were consumed, releasing nitrogen as gaseous NH_3 and HCN. This increase in undesirable nitrogen compounds is contrary to the predictions of most gasification models, which overlook the presence of significant nitrogen in char and tar even if they include tar cracking and char gasification reactions. The results of this study demonstrate that gas-phase reactions alone are not sufficient to predict the fate of nitrogen during gasification. In order for modeling efforts to obtain more accurate

  12. Some studies on tar pillets at Veraval coast (Gujarat)

    Digital Repository Service at National Institute of Oceanography (India)

    Kadam, A.N.

    Infrared spectroscopic (IR) analysis indicated that the tar pillets contain saturated hydrocarbons particularly higher homologues of n-paraffins, unsaturated and carbonyl type of polar compounds. Gas chromatographic (GLC) fingerprint pattern...

  13. Modelling and design of undercarriage components of large-scale earthmoving equipment in tar sand operations

    Energy Technology Data Exchange (ETDEWEB)

    Szymanski, J.; Frimpong, S.; Sobieski, R. [Alberta Univ., Edmonton, AB (Canada). Centre for Advanced Energy and Minerals Research

    2004-07-01

    This presentation described the fundamental and applied research work which has been carried out at the University of Alberta's Centre for Advanced Energy and Minerals Research to improve the undercarriage elements of large scale earthmoving equipment used in oil sands mining operations. A new method has been developed to predict the optimum curvature and blade geometry of earth moving equipment such as bulldozers and motor graders. A mathematical relationship has been found to approximate the optimum blade shape for reducing cutting resistance and fill resistance. The equation is a function of blade geometry and soil properties. It is the first model that can mathematically optimize the shape of a blade on earth moving equipment. A significant saving in undercarriage components can be achieved from reducing the amount of cutting and filling resistance for this type of equipment working on different soils. A Sprocket Carrier Roller for a Tracked Vehicle was also invented to replace the conventional cylindrical carrier roller. The new sprocket type carrier roller offers greater support for the drive track and other components of the undercarriage assembly. A unique retaining pin assembly has also been designed to detach connecting disposable wear parts from earthmoving equipment. The retaining pin assembly is easy to assemble and disassemble and includes reusable parts. 13 figs.

  14. Occupational coal tar dermatitis

    Energy Technology Data Exchange (ETDEWEB)

    Conde-Salazar, L; Guimaraens, D; Romero, L V; Gonzalez, M A

    1987-04-01

    The paper describes the allergic reaction to coal tar of a man handling it in a factory. The reaction appeared in the form of eczema on his trunk, arms and legs, but his hands were not affected as he had been wearing gloves. 1 ref.

  15. Performance Evaluation of Linear (ARMA and Threshold Nonlinear (TAR Time Series Models in Daily River Flow Modeling (Case Study: Upstream Basin Rivers of Zarrineh Roud Dam

    Directory of Open Access Journals (Sweden)

    Farshad Fathian

    2017-01-01

    Full Text Available Introduction: Time series models are generally categorized as a data-driven method or mathematically-based method. These models are known as one of the most important tools in modeling and forecasting of hydrological processes, which are used to design and scientific management of water resources projects. On the other hand, a better understanding of the river flow process is vital for appropriate streamflow modeling and forecasting. One of the main concerns of hydrological time series modeling is whether the hydrologic variable is governed by the linear or nonlinear models through time. Although the linear time series models have been widely applied in hydrology research, there has been some recent increasing interest in the application of nonlinear time series approaches. The threshold autoregressive (TAR method is frequently applied in modeling the mean (first order moment of financial and economic time series. Thise type of the model has not received considerable attention yet from the hydrological community. The main purposes of this paper are to analyze and to discuss stochastic modeling of daily river flow time series of the study area using linear (such as ARMA: autoregressive integrated moving average and non-linear (such as two- and three- regime TAR models. Material and Methods: The study area has constituted itself of four sub-basins namely, Saghez Chai, Jighato Chai, Khorkhoreh Chai and Sarogh Chai from west to east, respectively, which discharge water into the Zarrineh Roud dam reservoir. River flow time series of 6 hydro-gauge stations located on upstream basin rivers of Zarrineh Roud dam (located in the southern part of Urmia Lake basin were considered to model purposes. All the data series used here to start from January 1, 1997, and ends until December 31, 2011. In this study, the daily river flow data from January 01 1997 to December 31 2009 (13 years were chosen for calibration and data for January 01 2010 to December 31 2011

  16. Evaluation of lignite tar

    Energy Technology Data Exchange (ETDEWEB)

    Gossedin, A

    1946-01-01

    Tar from the low-temperature (450/sup 0/) carbonization of lignite from Bouches-du-Rhone was hydrogenated in the presence of a catalyst based on MoS/sub 2/ with a 3:1 H:N mixture. Processing (at 470/sup 0/ and 400 atmospheres) for maximum production of gasoline yielded 86 wt % of a product of boiling 55 to 186/sup 0/ and motor octane number 75. An alternative is to hydrogenate with a view to producing solvents and lubricants. For this purpose the tar was separated by distillation (at 20 millimeters, cutting at 220/sup 0/) into two fractions of equal volume. On hydrogenation (at 300/sup 0/ and 400 atmospheres) the light part yields a gasoline H/sub 2/O-soluble cut, a highly aromatic solvent fraction, a heavier cut (280/sup 0/ to 320/sup 0/) suitable as a plasticizer, and a phenol fraction. The heavier part of the tar is hydrogenated (at 380/sup 0/ and 400 atmospheres) to give spindle oil and lubricating oil of medium eta (11.2 centistokes at 98.2/sup 0/), moderate eta index (64), good pour point (-7/sup 0/), and good oxidizing characteristics. The overall yield of products from the two portions is 86.9% (gasoline and solvent 32, light phenols 9.7, spindle oil 14.2, medium lubricating oil 25.7, wax, 5.3%).

  17. Characterization of acid tars

    International Nuclear Information System (INIS)

    Leonard, Sunday A.; Stegemann, Julia A.; Roy, Amitava

    2010-01-01

    Acid tars from the processing of petroleum and petrochemicals using sulfuric acid were characterized by gas chromatography/mass spectrometry (GC/MS), inductively coupled plasma/optical emission spectrometry (ICP/OES), differential scanning calorimetry (DSC), Fourier transform infrared (FTIR) spectrometry, and scanning electron microscopy/energy dispersive X-ray (SEM/EDX) micro-analysis. Leaching of contaminants from the acid tars in 48 h batch tests with distilled water at a liquid-to-solid ratio 10:1 was also studied. GC/MS results show that the samples contained aliphatic hydrocarbons, cyclic hydrocarbons, up to 12 of the 16 USEPA priority polycyclic aromatic hydrocarbons (PAHs), and numerous other organic groups, including organic acids (sulfonic acids, carboxylic acids and aromatic acids), phenyl, nitrile, amide, furans, thiophenes, pyrroles, and phthalates, many of which are toxic. Metals analysis shows that Pb was present in significant concentration. DSC results show different transition peaks in the studied samples, demonstrating their complexity and variability. FTIR analysis further confirmed the presence of the organic groups detected by GC/MS. The SEM/EDX micro-analysis results provided insight on the surface characteristics of the samples and show that contaminants distribution was heterogeneous. The results provide useful data on the composition, complexity, and variability of acid tars; information which hitherto have been scarce in public domain.

  18. Characterization of acid tars

    Energy Technology Data Exchange (ETDEWEB)

    Leonard, Sunday A., E-mail: sunday.leonard@ucl.ac.uk [Department of Civil Environmental and Geomatic Engineering, University College London, Chadwick Building, Gower Street, London, WC1E 6BT (United Kingdom); Stegemann, Julia A. [Department of Civil Environmental and Geomatic Engineering, University College London, Chadwick Building, Gower Street, London, WC1E 6BT (United Kingdom); Roy, Amitava [J. Bennett Johnston, Sr., Centre for Advance Microstructures and Devices (CAMD), 6980 Jefferson Highway, Louisiana State University, Baton Rouge, LA, 70806 (United States)

    2010-03-15

    Acid tars from the processing of petroleum and petrochemicals using sulfuric acid were characterized by gas chromatography/mass spectrometry (GC/MS), inductively coupled plasma/optical emission spectrometry (ICP/OES), differential scanning calorimetry (DSC), Fourier transform infrared (FTIR) spectrometry, and scanning electron microscopy/energy dispersive X-ray (SEM/EDX) micro-analysis. Leaching of contaminants from the acid tars in 48 h batch tests with distilled water at a liquid-to-solid ratio 10:1 was also studied. GC/MS results show that the samples contained aliphatic hydrocarbons, cyclic hydrocarbons, up to 12 of the 16 USEPA priority polycyclic aromatic hydrocarbons (PAHs), and numerous other organic groups, including organic acids (sulfonic acids, carboxylic acids and aromatic acids), phenyl, nitrile, amide, furans, thiophenes, pyrroles, and phthalates, many of which are toxic. Metals analysis shows that Pb was present in significant concentration. DSC results show different transition peaks in the studied samples, demonstrating their complexity and variability. FTIR analysis further confirmed the presence of the organic groups detected by GC/MS. The SEM/EDX micro-analysis results provided insight on the surface characteristics of the samples and show that contaminants distribution was heterogeneous. The results provide useful data on the composition, complexity, and variability of acid tars; information which hitherto have been scarce in public domain.

  19. Conversion of cresols and naphthalene in the hydroprocessing of three-component model mixtures simulating fast pyrolysis tars

    Energy Technology Data Exchange (ETDEWEB)

    Wandas, R.; Surygala, J.; Sliwka, E. [Technical University of Wroclaw, Wroclaw (Poland). Inst. of Chemistry and Technology of Petroleum and Coal

    1996-05-01

    The hydroconversion of o-, m- and p-cresols in three-component model mixtures with naphthalene and n-hexadecane was investigated over a CoMo/Al{sub 2}O{sub 3} catalyst at 360{degree}C, a hydrogen pressure of 7 MPa and a reaction time of 60 min. The results were compared with those obtained for cresols and naphthalene as single model compounds. A lower efficiency of cresol hydrodeoxygenation as well as naphthalene hydrogenation in the mixtures was found than in the conversion of the single compounds. Conversion mechanisms of cresols in the mixtures with naphthalene are considerably more complex than for individual components. Beside typical catalytic reactions, they include radical reactions in which tetralin, formed by naphthalene hydrogenation, participates as a labile-hydrogen source. The cresol reaction products in such systems include phenol, xylenols, xylenes and dimethycyclohexanes, i.e. compounds essentially absent in hydroconversion of cresols as single substances. Under the experimental conditions, the hydrodeoxygenation efficiency of the cresol isomers decreases in the sequence: para {gt} metal {gt} ortho. 22 refs., 3 figs., 3 tabs.

  20. Receiving demulsifying agent from the acid tar

    Energy Technology Data Exchange (ETDEWEB)

    Nikitina, A.A.; Belyaeva, A.S.; Kunakova, R.V. [FGBIHE ' Ufa State Academy of Economics and Services' , Ufa (Russian Federation); Movsumzade, E.M. [FGBIHE ' Ufa State Petroleum Technological Univ.' , Ufa (Russian Federation); Lapidus, A.L. [Russian Academy of Sciences, Moscow (Russian Federation). N.D. Zelinsky Institute of Organic Chemistry

    2012-07-01

    The processing of wastes of petrochemical production makes it possible to reduce the price of produced commodity of petroleum products substantially. Bitumen, fuel oils, tars and other mixture of heavy organic compounds are widely used in road construction, in paint and cable industries, manufacture of roofing materials, are used as boiler and furnace fuel, fuel for marine diesel engines, raw material for the production of modifying additives, fillers, surfaceactive substances, etc. (orig.)

  1. Characterization of Tar Deposits, Extraction and Sorption Properties

    Directory of Open Access Journals (Sweden)

    Pryszcz Adrian

    2016-06-01

    Full Text Available The main goal of this paper was to characterize and find a useful solution for the decomposition of tar deposits. For the experimental part, tar deposits, formed by polymerization and condensation reactions, were chosen from a storage tank for tars. At first the initial analyses of tar deposits (elemental, thermogravimetric, and calorimetric analyses were performed. After the characterization, the tar deposits were extracted in the Soxhlet extractor by acetone, toluene, and quinolone and activated with potassium hydroxide. As the final step of this work, the sorption characterization on the 3Flex Surface Characterization Analyzer (Micromeritics was performed. The specific surface area of the samples was evaluated using two methods - a single point measurement at p/p0=0.2 and BET method. Micropore and external surface areas were calculated based on a t-plot analysis (carbon black model.

  2. Understanding the fate and transport of petroleum hydrocarbons from coal tar within gasholders.

    Science.gov (United States)

    Coulon, Frédéric; Orsi, Roberto; Turner, Claire; Walton, Chris; Daly, Paddy; Pollard, Simon J T

    2009-02-01

    Coal tars have been identified as posing a threat to human health due to their toxic, mutagenic and carcinogenic characteristics. Workers involved in former gasholders decommissioning are potentially exposed to relevant concentrations of volatile and semi-volatile hydrocarbons upon opening up derelict tanks and during tar excavation/removal. While information on contaminated sites air-quality and its implications on medium-long term exposure is available, acute exposure issues associated with the execution of critical tasks are less understood. Calculations indicated that the concentration of a given contaminant in the gasholder vapour phase only depends on the coal tar composition, being only barely affected by the presence of water in the gasholder and the tar volume/void space ratio. Fugacity modelling suggested that risk-critical compounds such as benzene, naphthalene and other monocyclic and polycyclic aromatic hydrocarbons may gather in the gasholder air phase at significant concentrations. Gasholder emissions were measured on-site and compared with the workplace exposure limits (WELs) currently in use in UK. While levels for most of the toxic compounds were far lower than WELs, benzene air-concentrations where found to be above the accepted threshold. In addition due to the long exposure periods involved in gasholder decommissioning and the significant contribution given by naphthalene to the total coal tar vapour concentration, the adoption of a WEL for naphthalene may need to be considered to support operators in preventing human health risk at the workplace. The Level I fugacity approach used in this study demonstrated its suitability for applications to sealed environments such as gasholders and its further refining could provide a useful tool for land remediation risk assessors.

  3. Chemical and physical characteristics of tar samples from selected Manufactured Gas Plant (MGP) sites

    International Nuclear Information System (INIS)

    Ripp, J.; Taylor, B.; Mauro, D.; Young, M.

    1993-05-01

    A multiyear, multidisciplinary project concerning the toxicity of former Manufactured Gas Plant (MGP) tarry residues was initiated by EPRI under the Environmental Behavior of Organic Substances (EBOS) Program. This report concerns one portion of that work -- the collection and chemical characterization of tar samples from several former MGP sites. META Environmental, Inc. and Atlantic Environmental Services, Inc. were contracted by EPRI to collect several samples of tarry residues from former MGP sites with varied historical gas production processes and from several parts of the country. The eight tars collected during this program were physically very different. Some tars were fluid and easily pumped from existing wells, while other tars were thicker, semi-solid, or solid. Although care was taken to collect only tar, the nature of the residues at several sites made it impossible not to collect other material, such as soil, gravel, and plant matter. After the samples were collected, they were analyzed for 37 organic compounds, 8 metals, and cyanide. In addition, elemental analysis was performed on the tar samples for carbon, hydrogen, oxygen, sulfur and nitrogen content and several physical/chemical properties were determined for each tar. The tars were mixed together in different batches and distributed to researchers for use in animal toxicity studies. The results of this work show that, although the tars were produced from different processes and stored in different manners, they had some chemical similarities. All of the tars, with the exception of one unusual solid tar, contained similar relative abundances of polycyclic aromatic hydrocarbons (PAHs)

  4. UTILIZATION OF AQUEOUS-TAR CONDENSATES FORMED DURING GASIFICATION

    Directory of Open Access Journals (Sweden)

    Anna Kwiecińska

    2016-11-01

    Full Text Available Gasification of solid fuels is an alternative process for energy production using conventional and renewable fuels. Apart from desired compounds, i.e. carbon oxide, hydrogen and methane, the produced gas contains complex organic (tars and inorganic (carbonizate, ammonia contaminants. Those substances, together with water vapor, condensate during cooling of the process gas, what results in the formation of aqueous-tar condensate, which requires proper methods of utilization. The management of this stream is crucial for commercialization and application of the gasification technology. In the paper the treatment of aqueous-tar condensates formed during biomass gasification process is discussed. The removal of tars from the stream was based on their spontaneous separation. The aqueous stream was subjected to ultrafiltration operated at different pressures. Such a treatment configuration enabled to obtain highly concentrated retentate, which could be recycled to the gasifier, and filtrate, which could be subjected to further treatment.

  5. Integrated modelling of two xenobiotic organic compounds

    DEFF Research Database (Denmark)

    Lindblom, Erik Ulfson; Gernaey, K.V.; Henze, Mogens

    2006-01-01

    This paper presents a dynamic mathematical model that describes the fate and transport of two selected xenobiotic organic compounds (XOCs) in a simplified representation. of an integrated urban wastewater system. A simulation study, where the xenobiotics bisphenol A and pyrene are used as reference...... compounds, is carried out. Sorption and specific biological degradation processes are integrated with standardised water process models to model the fate of both compounds. Simulated mass flows of the two compounds during one dry weather day and one wet weather day are compared for realistic influent flow...... rate and concentration profiles. The wet weather day induces resuspension of stored sediments, which increases the pollutant load on the downstream system. The potential of the model to elucidate important phenomena related to origin and fate of the model compounds is demonstrated....

  6. Centrifuge treatment of coal tar

    Energy Technology Data Exchange (ETDEWEB)

    L.A. Kazak; V.Z. Kaidalov; L.F. Syrova; O.S. Miroshnichenko; A.S. Minakov [Giprokoks, the State Institute for the Design of Coke-Industry Enterprises, Kharkov (Ukraine)

    2009-07-15

    New technology is required for the removal of water and heavy fractions from regular coal tar. Centrifuges offer the best option. Purification of coal tar by means of centrifuges at OAO NLMK permits the production of pitch coke or electrode pitch that complies with current standards.

  7. using stereochemistry models in teaching organic compounds

    African Journals Online (AJOL)

    Preferred Customer

    The purpose of the study was to find out the effect of stereochemistry models on students' ... consistent with the names given to organic compounds. Some of ... Considering class level, what is the performance of the students in naming organic.

  8. Stochastic interest rates model in compounding | Galadima ...

    African Journals Online (AJOL)

    Stochastic interest rates model in compounding. ... in finance, real estate, insurance, accounting and other areas of business administration. The assumption that future rates are fixed and known with certainty at the beginning of an investment, ...

  9. No Increased Risk of Cancer after Coal Tar Treatment in Patients with Psoriasis or Eczema

    NARCIS (Netherlands)

    Roelofzen, Judith H. J.; Aben, Katja K. H.; Oldenhof, Ursula T. H.; Coenraads, Pieter-Jan; Alkemade, Hans A.; van de Kerkhof, Peter C. M.; van der Valk, Pieter G. M.; Kiemeney, Lambertus A. L. M.

    Coal tar is an effective treatment for psoriasis and eczema, but it contains several carcinogenic compounds. Occupational and animal studies have shown an increased risk of cancer after exposure to coal tar. Many dermatologists have abandoned this treatment for safety reasons, although the risk of

  10. Identification of sources of tar balls deposited along the Goa coast, India, using fingerprinting techniques

    International Nuclear Information System (INIS)

    Suneel, V.; Vethamony, P.; Zakaria, M.P.; Naik, B.G.; Prasad, K.V.S.R.

    2013-01-01

    Highlights: ► This is first fingerprinting study in India on identification of source of tar balls. ► Tar balls were formed from tanker-wash spills and they resemble floating tar ball. ► δ 13 C values of Bombay High crude oil and the present tar balls do not match. ► Compound specific stable carbon isotope analysis confirmed the source of tar balls. ► Source is confirmed as the South East Asian Crude Oil and not the Bombay High crude. -- Abstract: Deposition of tar balls along the coast of Goa, India is a common phenomenon during the southwest monsoon. Representative tar ball samples collected from various beaches of Goa and one Bombay High (BH) crude oil sample were subjected to fingerprint analysis based on diagnostic ratios of n-alkane, biomarkers of pentacyclic tri-terpanes and compound specific stable carbon isotope (δ 13 C) analysis to confirm the source. The results were compared with the published data of Middle East Crude Oil (MECO) and South East Asian Crude Oil (SEACO). The results revealed that the tar balls were from tanker-wash derived spills. The study also confirmed that the source is not the BH, but SEACO. The present study suggests that the biomarkers of alkanes and hopanes coupled with stable carbon isotope analysis act as a powerful tool for tracing the source of tar balls, particularly when the source specific biomarkers fail to distinguish the source

  11. Upgrading of hydropyrolysis coal tar by hydroprocessing

    Energy Technology Data Exchange (ETDEWEB)

    Haglund, R.; Otterstedt, J.E.; Sterte, J. (Chalmers Univ. of Tech., Goeteborg (Sweden). 1. Dept. of Engineering Chemistry)

    1991-05-01

    Upgrading of a hydropyrolysis coal tar by hydroprocessing was investigated using different process conditions. The response of the hydropyrolysis tar to hydroprocessing was compared to those of a conventional coal tar and two heavy oil fractions. At comparable conditions, the removal of heteroatoms from the hydropyrolysis tar was more effective than from the conventional tar and, in particular, than from the oil fractions. Using conditions typical for hydroprocessing of heavy oil fractions, the contents of N, O as well as S in the hydropyrolysis tar were reduced by more than 90%. Hydroprocessing also resulted in a considerable increase in the gasoline fraction of the tar. (orig.).

  12. Process of transforming tars, etc

    Energy Technology Data Exchange (ETDEWEB)

    1929-04-11

    A process is described for treating tars obtained by carbonization, at high or low temperature, of coals, lignites, shales, and other carbonaceous materials or fractions of these tars, for obtaining products of greater value, consisting of polymerizing or saturating the unstable hydrocarbons in the presence of catalyzers by the progressing action particularly of halogenated metals, such as titanium tetrachloride, iron chloride, etc. and applying a known process of recovery, the disclosed process leading to an important reduction of final losses.

  13. Technology unlocks tar sands energy

    Energy Technology Data Exchange (ETDEWEB)

    Law, C

    1967-09-25

    Tar sand processing technology has been developed primarily in the categories of extraction techniques and in-situ processing. In October, a $235 million venture into tar sand processing will be inspected by visitors from many points on the globe. A synthetic crude of premium quality will be flowing through a 16-in. pipeline from the Tar Island plant site of Great Canadian Oil Sands to Edmonton. This processing plant uses an extractive mining technique. The tar sand pay zone in this area averages approximately 150 ft in thickness with a 50-ft overburden. It has been estimated that the tar sands cannot be exploited when the formation thickness is less than 100 ft and overburden exceeds the same amount. This indicates that extraction techniques can only be used to recover approximately 15% of the tar sand deposits. An in-situ recovery technique developed by Shell of Canada is discussed in detail. In essence it is selective hydraulic fracturing, followed by the injection of emulsifying chemicals and steam.

  14. Laboratory evaluation of a gasifier particle sampling system using model compounds of different particle morphology

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, Patrik T.; Malik, Azhar; Pagels, Joakim; Lindskog, Magnus; Rissler, Jenny; Gudmundsson, Anders; Bohgard, Mats; Sanati, Mehri [Lund University, Division of Ergonomics and Aerosol Technology, P.O. Box 118, Lund (Sweden)

    2011-07-15

    The objective of this work was to design and evaluate an experimental setup to be used for field studies of particle formation in biomass gasification processes. The setup includes a high-temperature dilution probe and a denuder to separate solid particles from condensable volatile material. The efficiency of the setup to remove volatile material from the sampled stream and the influence from condensation on particles with different morphologies is presented. In order to study the sampling setup model, aerosols were created with a nebulizer to produce compact and solid KCl particles and a diffusion flame burner to produce agglomerated and irregular soot particles. The nebulizer and soot generator was followed by an evaporation-condensation section where volatile material, dioctylsebacete (DOS), was added to the system as a tar model compound. The model aerosol particles were heated to 200 C to create a system containing both solid particles and volatile organic material in gas phase. The heated aerosol particles were sampled and diluted at the same temperature with the dilution probe. Downstream the probe, the DOS was adsorbed in the denuder. This was achieved by slowly decreasing the temperature of the diluted sample towards ambient level in the denuder. Thereby the supersaturation of organic vapors was reduced which decreased the probability for tar condensation and nucleation of new particles. Both the generation system and the sampling technique gave reproducible results. A DOS collection efficiency of >99% was achieved if the denuder inlet concentration was diluted to less than 1-6 mg/m{sup 3} depending on the denuder flow rate. Concentrations higher than that lead to significant impact on the resulting KCl size distribution. The choice of model compounds was done to study the effect from the particle morphology on the achieved particle characteristics after the sampling setup. When similar amounts of volatile material condensed on soot agglomerates and

  15. Mathematical modeling of atmospheric fine particle-associated primary organic compound concentrations

    Science.gov (United States)

    Rogge, Wolfgang F.; Hildemann, Lynn M.; Mazurek, Monica A.; Cass, Glen R.; Simoneit, Bernd R. T.

    1996-08-01

    An atmospheric transport model has been used to explore the relationship between source emissions and ambient air quality for individual particle phase organic compounds present in primary aerosol source emissions. An inventory of fine particulate organic compound emissions was assembled for the Los Angeles area in the year 1982. Sources characterized included noncatalyst- and catalyst-equipped autos, diesel trucks, paved road dust, tire wear, brake lining dust, meat cooking operations, industrial oil-fired boilers, roofing tar pots, natural gas combustion in residential homes, cigarette smoke, fireplaces burning oak and pine wood, and plant leaf abrasion products. These primary fine particle source emissions were supplied to a computer-based model that simulates atmospheric transport, dispersion, and dry deposition based on the time series of hourly wind observations and mixing depths. Monthly average fine particle organic compound concentrations that would prevail if the primary organic aerosol were transported without chemical reaction were computed for more than 100 organic compounds within an 80 km × 80 km modeling area centered over Los Angeles. The monthly average compound concentrations predicted by the transport model were compared to atmospheric measurements made at monitoring sites within the study area during 1982. The predicted seasonal variation and absolute values of the concentrations of the more stable compounds are found to be in reasonable agreement with the ambient observations. While model predictions for the higher molecular weight polycyclic aromatic hydrocarbons (PAH) are in agreement with ambient observations, lower molecular weight PAH show much higher predicted than measured atmospheric concentrations in the particle phase, indicating atmospheric decay by chemical reactions or evaporation from the particle phase. The atmospheric concentrations of dicarboxylic acids and aromatic polycarboxylic acids greatly exceed the contributions that

  16. Key intermediates in nitrogen transformation during microwave pyrolysis of sewage sludge: a protein model compound study.

    Science.gov (United States)

    Zhang, Jun; Tian, Yu; Cui, Yanni; Zuo, Wei; Tan, Tao

    2013-03-01

    The nitrogen transformations with attention to NH3 and HCN were investigated at temperatures of 300-800°C during microwave pyrolysis of a protein model compound. The evolution of nitrogenated compounds in the char, tar and gas products were conducted. The amine-N, heterocyclic-N and nitrile-N compounds were identified as three important intermediates during the pyrolysis. NH3 and HCN were formed with comparable activation energies competed to consume the same reactive substances at temperatures of 300-800°C. The deamination and dehydrogenation of amine-N compounds from protein cracking contributed to the formation of NH3 (about 8.9% of Soy-N) and HCN (6.6%) from 300 to 500°C. The cracking of nitrile-N and heterocyclic-N compounds from the dehydrogenation and polymerization of amine-N generated HCN (13.4%) and NH3 (31.3%) between 500 and 800°C. It might be able to reduce the HCN and NH3 emissions through controlling the intermediates production at temperatures of 500-800°C. Copyright © 2013 Elsevier Ltd. All rights reserved.

  17. Topical tar: Back to the future

    Energy Technology Data Exchange (ETDEWEB)

    Paghdal, K.V.; Schwartz, R.A. [University of Medicine & Dentistry of New Jersey, Newark, NJ (United States)

    2009-08-15

    The use of medicinal tar for dermatologic disorders dates back to the ancient times. Although coal tar is utilized more frequently in modern dermatology, wood tars have also been widely employed. Tar is used mainly in the treatment of chronic stable plaque psoriasis, scalp psoriasis, atopic dermatitis, and seborrheic dermatitis, either alone or in combination therapy with other medications, phototherapy, or both. Many modifications have been made to tar preparations to increase their acceptability, as some dislike its odor, messy application, and staining of clothing. One should consider a tried and true treatment with tar that has led to clearing of lesions and prolonged remission times. Occupational studies have demonstrated the carcinogenicity of tar; however, epidemiologic studies do not confirm similar outcomes when used topically. This article will review the pharmacology, formulations, efficacy, and adverse effects of crude coal tar and other tars in the treatment of selected dermatologic conditions.

  18. Study on Tar Generated from Downdraft Gasification of Oil Palm Fronds

    Science.gov (United States)

    Atnaw, Samson Mekbib; Kueh, Soo Chuan; Sulaiman, Shaharin Anwar

    2014-01-01

    One of the most challenging issues concerning the gasification of oil palm fronds (OPF) is the presence of tar and particulates formed during the process considering its high volatile matter content. In this study, a tar sampling train custom built based on standard tar sampling protocols was used to quantify the gravimetric concentration of tar (g/Nm3) in syngas produced from downdraft gasification of OPF. The amount of char, ash, and solid tar produced from the gasification process was measured in order to account for the mass and carbon conversion efficiency. Elemental analysis of the char and solid tar samples was done using ultimate analysis machine, while the relative concentration of the different compounds in the liquid tar was determined making use of a liquid gas chromatography (GC) unit. Average tar concentration of 4.928 g/Nm3 and 1.923 g/Nm3 was obtained for raw gas and cleaned gas samples, respectively. Tar concentration in the raw gas sample was found to be higher compared to results for other biomass materials, which could be attributed to the higher volatile matter percentage of OPF. Average cleaning efficiency of 61% which is comparable to that of sand bed filter and venturi scrubber cleaning systems reported in the literature was obtained for the cleaning system proposed in the current study. PMID:24526899

  19. Study on tar generated from downdraft gasification of oil palm fronds.

    Science.gov (United States)

    Atnaw, Samson Mekbib; Kueh, Soo Chuan; Sulaiman, Shaharin Anwar

    2014-01-01

    One of the most challenging issues concerning the gasification of oil palm fronds (OPF) is the presence of tar and particulates formed during the process considering its high volatile matter content. In this study, a tar sampling train custom built based on standard tar sampling protocols was used to quantify the gravimetric concentration of tar (g/Nm3) in syngas produced from downdraft gasification of OPF. The amount of char, ash, and solid tar produced from the gasification process was measured in order to account for the mass and carbon conversion efficiency. Elemental analysis of the char and solid tar samples was done using ultimate analysis machine, while the relative concentration of the different compounds in the liquid tar was determined making use of a liquid gas chromatography (GC) unit. Average tar concentration of 4.928 g/Nm3 and 1.923 g/Nm3 was obtained for raw gas and cleaned gas samples, respectively. Tar concentration in the raw gas sample was found to be higher compared to results for other biomass materials, which could be attributed to the higher volatile matter percentage of OPF. Average cleaning efficiency of 61% which is comparable to that of sand bed filter and venturi scrubber cleaning systems reported in the literature was obtained for the cleaning system proposed in the current study.

  20. Study on Tar Generated from Downdraft Gasification of Oil Palm Fronds

    Directory of Open Access Journals (Sweden)

    Samson Mekbib Atnaw

    2014-01-01

    Full Text Available One of the most challenging issues concerning the gasification of oil palm fronds (OPF is the presence of tar and particulates formed during the process considering its high volatile matter content. In this study, a tar sampling train custom built based on standard tar sampling protocols was used to quantify the gravimetric concentration of tar (g/Nm3 in syngas produced from downdraft gasification of OPF. The amount of char, ash, and solid tar produced from the gasification process was measured in order to account for the mass and carbon conversion efficiency. Elemental analysis of the char and solid tar samples was done using ultimate analysis machine, while the relative concentration of the different compounds in the liquid tar was determined making use of a liquid gas chromatography (GC unit. Average tar concentration of 4.928 g/Nm3 and 1.923 g/Nm3 was obtained for raw gas and cleaned gas samples, respectively. Tar concentration in the raw gas sample was found to be higher compared to results for other biomass materials, which could be attributed to the higher volatile matter percentage of OPF. Average cleaning efficiency of 61% which is comparable to that of sand bed filter and venturi scrubber cleaning systems reported in the literature was obtained for the cleaning system proposed in the current study.

  1. Coal tar phototherapy for psoriasis reevaluated: erythemogenic versus suberythemogenic ultraviolet with a tar extract in oil and crude coal tar

    International Nuclear Information System (INIS)

    Lowe, N.J.; Wortzman, M.S.; Breeding, J.; Koudsi, H.; Taylor, L.

    1983-01-01

    Recent studies have questioned the therapeutic value of coal tar versus ultraviolet (UV) radiation and their relative necessity in phototherapy for psoriasis. In this investigation, different aspects of tar phototherapy have been studied in single-blind bilateral paired comparison studies. The effects of 1% crude coal tar were compared with those of petrolatum in conjunction with erythemogenic and suberythemogenic doses of ultraviolet light (UVB) using a FS72 sunlamp tubed cabinet. Crude coal tar was clinically superior to petrolatum with suberythemogenic ultraviolet. With the erythemogenic UVB, petrolatum was equal in efficacy to crude coal tar. Suberythemogenic UVB was also used adjunctively to compare the effects of a 5% concentration of a tar extract in an oil base to 5% crude coal tar in petrolatum or the oil base without tar. The tar extract in oil plus suberythemogenic UVB produced significantly more rapid improvement than the oil base plus UVB. The direct bilateral comparison of equal concentrations of tar extract in oil base versus crude coal tar in petrolatum in a suberythemogenic UV photo regimen revealed no statistical differences between treatments. In a study comparing tar extract in oil and the oil base without ultraviolet radiation, the tar extract in oil side responded more rapidly

  2. Comprehensive database of Manufactured Gas Plant tars. Part C. Heterocyclic and hydroxylated polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Gallacher, Christopher; Thomas, Russell; Lord, Richard; Kalin, Robert M; Taylor, Chris

    2017-08-15

    Coal tars are a mixture of organic and inorganic compounds that were by-products from the manufactured gas and coke making industries. The tar compositions varied depending on many factors such as the temperature of production and the type of retort used. For this reason a comprehensive database of the compounds found in different tar types is of value to understand both how their compositions differ and what potential chemical hazards are present. This study focuses on the heterocyclic and hydroxylated compounds present in a database produced from 16 different tars from five different production processes. Samples of coal tar were extracted using accelerated solvent extraction (ASE) and derivatized post-extraction using N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) with 1% trimethylchlorosilane (TMCS). The derivatized samples were analysed using two-dimensional gas chromatography combined with time-of-flight mass spectrometry (GCxGC/TOFMS). A total of 865 heterocyclic compounds and 359 hydroxylated polycyclic aromatic hydrocarbons (PAHs) were detected in 16 tar samples produced by five different processes. The contents of both heterocyclic and hydroxylated PAHs varied greatly with the production process used, with the heterocyclic compounds giving information about the feedstock used. Of the 359 hydroxylated PAHs detected the majority would not have been be detected without the use of derivatization. Coal tars produced using different production processes and feedstocks yielded tars with significantly different heterocyclic and hydroxylated contents. The concentrations of the individual heterocyclic compounds varied greatly even within the different production processes and provided information about the feedstock used to produce the tars. The hydroxylated PAH content of the samples provided important analytical information that would otherwise not have been obtained without the use of derivatization and GCxGC/TOFMS. Copyright © 2017 John Wiley & Sons, Ltd.

  3. Acid Tar Lagoons: Management and Recovery

    Science.gov (United States)

    Bohers, Anna; Hroncová, Emília; Ladomerský, Juraj

    2017-04-01

    liquid state et sim. Because of lack of geological research caused by fragile limestone bedrock under the lagoon in combination with aggressive substance in the lagoon, waste management of this contaminated site became even more complicated. The main aim of this work is to present by analysis a new possibility of acid tarry-waste management thanks to the technique of thermal desorption as a method for acid tar processing, through which it is possible to gain only organic part; and a technology of Blowing Decomposition as a method for its consequent recovery. Thermal desorption process is an effective separation process through which is possible to split acid tarry material into matrix (soil, sediments) and organic contaminants (PCB and POPs compounds). The process is carried out through a mobile unit which is relocatable. The work also presents a relation between volume of de-contaminated matrix and organic compounds. In order to boost the efficiency in processing of acid tar waste through thermal desorption, the work will present possibility of application of innovative technology - method of Blowing Decomposition for recovering of organic matter into technological lubricating oil.

  4. Genetic relationship of organic bases of the quinoline and isoquinoline series from lignite semicoking tars with the initial biological material

    Energy Technology Data Exchange (ETDEWEB)

    Platonov, V.V.; Proskuryakov, V.A.; Podshibyakin, S.I.; Domogatskii, V.V.; Shvykin, A.Y.; Shavyrina, O.A.; Chilachava, K.B. [Leo Tolstoy State Pedagog University, Tula (Russian Federation)

    2002-07-01

    The genetic relationship of quinoline and isoquinoline compounds present in semicoking tars of Kimovsk lignites (near-Moscow fields) with the initial vegetable material is discussed. Transformation pathways of the native compounds in the course of lignite formation are suggested.

  5. A DEVICE AND METHOD FOR MEASURING TAR IN A TAR-ENVIRONMENT

    DEFF Research Database (Denmark)

    2017-01-01

    The present disclosure describes a device and corresponding method for measuring tar in a tar environment, e.g., a tar producing environment such as a stove or a combustion engine, based on UV absorption spectroscopy. A first measurement along an optical path in the tar environment is performed...

  6. Separating cresote from tars, mineral oils, etc

    Energy Technology Data Exchange (ETDEWEB)

    Erdmann, E

    1921-01-07

    Phenolic bodies are extracted from tars such as lignite, shale, peat, coal, producer and low temperature tars, and from tar distillates and residues and from mineral oils and distillates by washing with a mixture of acetone and water. Acetone extracts of the tars etc., may be mixed with water or aqueous acetone to cause the separation of the oils, while the creosote remains in solution.

  7. Preparation of pure phenols from tars

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, J

    1933-02-07

    A process is disclosed for the preparation of pure phenols from brown coal tar, shale tar, or primary tar, characterized in that the raw oil obtained from the tar is carefully fractionated, in a suitable way without or with a slight pressure decrease, or before the fractionation the raw oil is heated to free the prepared phenolate solution from impurities after successful oxidation by passing in steam at a temperature between 100 and 120/sup 0/C.

  8. Selective Oxidation of Lignin Model Compounds.

    Science.gov (United States)

    Gao, Ruili; Li, Yanding; Kim, Hoon; Mobley, Justin K; Ralph, John

    2018-05-02

    Lignin, the planet's most abundant renewable source of aromatic compounds, is difficult to degrade efficiently to welldefined aromatics. We developed a microwave-assisted catalytic Swern oxidation system using an easily prepared catalyst, MoO 2 Cl 2 (DMSO) 2 , and DMSO as the solvent and oxidant. It demonstrated high efficiency in transforming lignin model compounds containing the units and functional groups found in native lignins. The aromatic ring substituents strongly influenced the selectivity of β-ether phenolic dimer cleavage to generate sinapaldehyde and coniferaldehyde, monomers not usually produced by oxidative methods. Time-course studies on two key intermediates provided insight into the reaction pathway. Owing to the broad scope of this oxidation system and the insight gleaned with regard to its mechanism, this strategy could be adapted and applied in a general sense to the production of useful aromatic chemicals from phenolics and lignin. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Chemical-composition studies of low-temperature-carbonization coal tar

    Energy Technology Data Exchange (ETDEWEB)

    Edel' shtein, N G; Lanin, V A

    1955-01-01

    Pintsch-oven low-temperature tar was separated into its constituents by conventional methods, and the average of 2 results was neutral asphaltenes 12.56, basic asphaltenes 2.61, acid asphaltenes 18.82, phenols 13.23, bases 2.31, neutral oil 17.66, crystalline paraffins 7.34, silica-gel tars (I) (benzene extract) 15.40, I (acetone extract) 2.47, carbenes 0.45, and carbides and dust 1.44%. The low-temperature-tar asphaltenes and tars differ from shale-oil tars by being lower in C and higher in H, with a considerably higher C:H ratio. Their specific gravity is somewhat higher, and they are cyclic in structure. The asphaltenes and silica-gel tars of coal tar and shale oil were hydrogenated, molecular weights d/sub 4//sup 20/ and n/sub 4//sup 20/ of the separated compounds were determined, and empirical formulas of the hydrogenated compounds calculated. The neutral oil was separated into saturated, intermediate (iodine number 23), unsaturated (iodine number 51), a small quantity of a mixture of unsaturated and aromatic hydrocarbons, and 44.9% aromatic hydrocarbons. While naphthenes seem to be predominantly present in the neutral-oil fraction of shale oil, aromatic hydrocarbons are predominant in coal oil.

  10. Modeling Compound Flood Hazards in Coastal Embayments

    Science.gov (United States)

    Moftakhari, H.; Schubert, J. E.; AghaKouchak, A.; Luke, A.; Matthew, R.; Sanders, B. F.

    2017-12-01

    Coastal cities around the world are built on lowland topography adjacent to coastal embayments and river estuaries, where multiple factors threaten increasing flood hazards (e.g. sea level rise and river flooding). Quantitative risk assessment is required for administration of flood insurance programs and the design of cost-effective flood risk reduction measures. This demands a characterization of extreme water levels such as 100 and 500 year return period events. Furthermore, hydrodynamic flood models are routinely used to characterize localized flood level intensities (i.e., local depth and velocity) based on boundary forcing sampled from extreme value distributions. For example, extreme flood discharges in the U.S. are estimated from measured flood peaks using the Log-Pearson Type III distribution. However, configuring hydrodynamic models for coastal embayments is challenging because of compound extreme flood events: events caused by a combination of extreme sea levels, extreme river discharges, and possibly other factors such as extreme waves and precipitation causing pluvial flooding in urban developments. Here, we present an approach for flood risk assessment that coordinates multivariate extreme analysis with hydrodynamic modeling of coastal embayments. First, we evaluate the significance of correlation structure between terrestrial freshwater inflow and oceanic variables; second, this correlation structure is described using copula functions in unit joint probability domain; and third, we choose a series of compound design scenarios for hydrodynamic modeling based on their occurrence likelihood. The design scenarios include the most likely compound event (with the highest joint probability density), preferred marginal scenario and reproduced time series of ensembles based on Monte Carlo sampling of bivariate hazard domain. The comparison between resulting extreme water dynamics under the compound hazard scenarios explained above provides an insight to the

  11. Tar loads on Omani beaches

    International Nuclear Information System (INIS)

    Badawy, M.I.; Al-Harthy, F.T.

    1991-01-01

    Owing to Oman's geographic position and long coastal line, the coastal areas of Oman are particularly vulnerable to oil pollution from normal tanker operations, illegal discharges, and accidental spills as well as local sources of oil input. UNEP carried out a survey on the coasts of Oman to determine the major sources of oil pollution and concluded that the major shoreline pollution problems in Oman arose from operational discharges of oil from passing vessels traffic. The oil, because of the high sea and air temperatures in the area, was subjected to relatively high rates of evaporation and photo-oxidation and tended to arrive at the coast as heavy petroleum particulate residues (tar balls). The aim of the present study was to measure the loads of tar balls in Omani coastal areas and to identify the source of oil pollutants on beaches

  12. Quantitative analysis of phenol and alkylphenols in Brazilian coal tar

    Directory of Open Access Journals (Sweden)

    Elina Bastos Caramão

    2004-04-01

    Full Text Available The main purpose of this work is the identification and quantification of phenolic compounds in coal tar samples from a ceramics factory in Cocal (SC, Brazil. The samples were subjected to preparative scale liquid chromatography, using Amberlyst A-27TM ion-exchange resin as stationary phase. The fractions obtained were classified as "acids" and "BN" (bases and neutrals. The identification and quantification of phenols, in the acid fraction, was made by gas chromatography coupled to mass spectrometry (GC/MS. Nearly twenty-five phenols were identified in the samples and nine of them were also quantified. The results showed that coal tar has large quantities of phenolic compounds of industrial interest.

  13. Mineral oils, tars. [British patent

    Energy Technology Data Exchange (ETDEWEB)

    O' Brien, A M; Handmarch, E

    1933-08-11

    Hydrocarbon materials such as mineral oils and tars from coal, shale, lignite, or peat are freed from phenols and like oxy-bodies by heating under pressure in a closed vessel to a temperature and for a time sufficient to effect reduction of the oxy-bodies, and then removing the water formed by the reaction. 350/sup 0/ to 400/sup 0/C. for 30 to 60 minutes is suitable. Any wax-like constituents are converted to liquids of lower viscosity and settling point. The product may be fractionated to give light oils and a residue of aviation Diesel fuel. In an example, oil from the low-temperature distillation of coal and having a tar acid content of 30 per cent is treated in a tubular converter at 380/sup 0/C. and 400 lb. per sq. in for 40 min., and the benzine toluol, and xylol distilled; the residue has a tar acid content of only 7.6 per cent.

  14. Sampling of tar from sewage sludge gasification using solid phase adsorption.

    Science.gov (United States)

    Ortiz González, Isabel; Pérez Pastor, Rosa Ma; Sánchez Hervás, José Ma

    2012-06-01

    Sewage sludge is a residue from wastewater treatment plants which is considered to be harmful to the environment and all living organisms. Gasification technology is a potential source of renewable energy that converts the sewage sludge into gases that can be used to generate energy or as raw material in chemical synthesis processes. But tar produced during gasification is one of the problems for the implementation of the gasification technology. Tar can condense on pipes and filters and may cause blockage and corrosion in the engines and turbines. Consequently, to minimize tar content in syngas, the ability to quantify tar levels in process streams is essential. The aim of this work was to develop an accurate tar sampling and analysis methodology using solid phase adsorption (SPA) in order to apply it to tar sampling from sewage sludge gasification gases. Four types of commercial SPA cartridges have been tested to determine the most suitable one for the sampling of individual tar compounds in such streams. Afterwards, the capacity, breakthrough volume and sample stability of the Supelclean™ ENVI-Carb/NH(2), which is identified as the most suitable, have been determined. Basically, no significant influences from water, H(2)S or NH(3) were detected. The cartridge was used in sampling real samples, and comparable results were obtained with the present and traditional methods.

  15. A review of the primary measures for tar elimination in biomass gasification processes

    International Nuclear Information System (INIS)

    Devi, Lopamudra; Ptasinski, K.J.; Janssen, F.J.J.G.

    2003-01-01

    Tar formation is one of the major problems to deal with during biomass gasification. Tar condenses at reduced temperature, thus blocking and fouling process equipments such as engines and turbines. Considerable efforts have been directed on tar removal from fuel gas. Tar removal technologies can broadly be divided into two approaches; hot gas cleaning after the gasifier (secondary methods), and treatments inside the gasifier (primary methods). Although secondary methods are proven to be effective, treatments inside the gasifier are gaining much attention as these may eliminate the need for downstream cleanup. In primary treatment, the gasifier is optimized to produce a fuel gas with minimum tar concentration. The different approaches of primary treatment are (a) proper selection of operating parameters, (b) use of bed additive/catalyst, and (c) gasifier modifications. The operating parameters such as temperature, gasifying agent, equivalence ratio, residence time, etc. play an important role in formation and decomposition of tar. There is a potential of using some active bed additives such as dolomite, olivine, char, etc. inside the gasifier. Ni-based catalyst are reported to be very effective not only for tar reduction, but also for decreasing the amount of nitrogenous compounds such as ammonia. Also, reactor modification can improve the quality of the product gas. The concepts of two-stage gasification and secondary air injection in the gasifier are of prime importance. Some aspects of primary methods and the research and development in this area are reviewed and cited in the present paper

  16. Composition and Dissolution of a Migratory, Weathered Coal Tar Creosote DNAPL

    Directory of Open Access Journals (Sweden)

    Kerstin E. Scherr

    2016-09-01

    Full Text Available Opaque, viscous tars derived from the carbonization of fossile carbon feedstocks, such coal tars and creosote, are long-term sources of groundwater contamination, predominantly with poly- and heterocyclic aromatic hydrocarbons (PAH. The dissolution, ageing and migratory behavior of dense, non aqueous phase liquid (DNAPL coal tar blobs and pools forming at the aquitard is not sufficiently understood to estimate the risk and adequately design groundwater treatment measures at a contaminated site. In this study, we investigate the composition and dissolution of a migrated, aged creosote DNAPL and corresponding experimental and groundwater profiles using comprehensive two-dimensional gas chromatography (GCxGC-MS. GC-FID unresolved compounds were attributed to methylated homocyclic species using GCxGC-MS in the Methylanthracene weight range. Equilibrium concentrations were estimated using Raoult’s law, assuming non-ideal behavior. Low molecular weight compounds were found to be prevalent even after decades of weathering, with Naphthalene (8% by mass representing the most abundant identified compound, contrary to the expected preferential depletion of hydrophilic compounds. Morevoer, dimethylnaphthalenes were relatively more abundant in the aqueous boundary layer than in the DNAPL. DNAPL migration over 400m with the groundwater flow effected lower viscosity and specific gravity of the migrated phase body in a superposition of weathering, transport and aquifer chromatography effects. Based on a decomposition of analysed and estimated constituents using the group contribution approach, reference DNAPL values for activity coefficients γi were used to model aqueous solubilities for selected compounds. Anthracene was close to its theoretical precipitation limit in the bulk DNAPL. While laboratory and modelled DNAPL dissolution behavior agree well, field data imply the presence of specific interfacial in situ processes significantly impacting dissolution

  17. Carbazole is a naturally occurring inhibitor of angiogenesis and inflammation isolated from antipsoriatic coal tar

    Energy Technology Data Exchange (ETDEWEB)

    Jack L. Arbiser; Baskaran Govindarajan; Traci E. Battle; Rebecca Lynch; David A. Frank; Masuko Ushio-Fukai; Betsy N. Perry; David F. Stern; G. Tim Bowden; Anquan Liu; Eva Klein; Pawel J. Kolodziejski; N. Tony Eissa; Chowdhury F. Hossain; Dale G. Nagle [Emory University School of Medicine, Atlanta, GA (United States). Department of Dermatology

    2006-06-15

    Coal tar is one of the oldest and an effective treatment for psoriasis. Coal tar has been directly applied to the skin, or used in combination with UV light as part of the Goeckerman treatment. The use of coal tar has caused long-term remissions in psoriasis, but has fallen out of favor because the treatment requires hospitalization and coal tar is poorly acceptable aesthetically to patients. Thus, determining the active antipsoriatic component of coal tar is of considerable therapeutic interest. We fractionated coal tar into its components, and tested them using the SVR angiogenesis inhibitor assay. Treatment of SVR endothelial cells with coal tar fractions resulted in the isolation of a single fraction with antiangiogenic activity. The active antiangiogenic compound in coal tar is carbazole. In addition to antiangiogenic activity, carbazole inhibited the production of inflammatory IL-15 by human mononuclear cells. IL-15 is elevated in psoriasis and is thought to contribute to psoriatic inflammation. Carbazole treatment also reduced activity of inducible nitric oxide synthase (iNOS), which is proinflammatory and elevated in psoriasis. The effect of carbazole on upstream pathways in human psoriasis was determined, and carbazole was shown to inhibit signal transducer and activator of transcription (stat)3-mediated transcription, which has been shown to be relevant in human psoriasis. IL-15, iNOS, and stat3 activation require the activation of the small GTPase rac for optimal activity. Carbazole was found to inhibit rac activation as a mechanism for its inhibition of downstream inflammatory and angiogenic pathways. Given its antiangiogenic and anti-inflammatory activities, carbazole is likely a major component of the antipsoriatic activity of coal tar. Carbazole and derivatives may be useful in the therapy of human psoriasis.

  18. Gasification of municipal solid waste in a downdraft gasifier: Analysis of tar formation

    Directory of Open Access Journals (Sweden)

    Tabitha Geoffrey Etutu

    2016-04-01

    Full Text Available In this study, municipal solid waste (MSW from a dumpsite was converted into refuse derived fuel (RDF and used as feedstock for an air-blown gasification process. The gasification process was conducted in a 10 kg.hr -1 downdraft gasifier at different air flow rates of 300, 350, 400, 450 and 550 NL.min1 at atmospheric pressure in order to investigate the quantity and quality of tar formed. It was shown that the increase in the air flow rate from 300 NL.min1 to 550 NL.min1 led to an increase in the oxidation temperature from 719°C to 870°C and an increase in the reduction temperature from 585°C to 750°C, respectively. Tar was reduced from 15 g.Nm3 to 4.7 g.Nm3 respectively. Heavy tar compounds (>C17 e.g. pyrene and phenathrene, decreased with the increase in the light tar compounds (tar reduction through a tar cracking process.

  19. Preparation of pure phenols from tars

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, J

    1929-06-18

    A process is disclosed for preparing pure phenols from brown coal and shale tar, characterized in that the alkaline extract obtained from the tar is oxidized and concurrently the alkaline solution is separated from the existing impurities by heating with steam at high temperature, which finally reaches at least 150/sup 0/C.

  20. Dehydration of hydrated low-temperature tar

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, T

    1949-01-01

    Yoshida examined the mechanism of the dehydration of hydrated low-temperature tar with a microscope. The tar containing free carbon and coal dust is so stable that the removal of the above substances and water by a physical method is very difficult. Addition of light oil produced by fractionation of low-temperature tar facilitates the operations. Yoshida tried using the separate acid, neutral, and basic components of the light oil; the acid oil proved to be most effective. For many reasons it is convenient to use light oil as it is. In this method the quantity of light oil required is 2 to 3 times that of tar. But in supplementing the centrifugal method, the quantity of light oil needed might be only half the amount of tar.

  1. Comparative assessment of coal tars obtained from 10 former manufactured gas plant sites in the eastern United States

    Energy Technology Data Exchange (ETDEWEB)

    Brown, D.G.; Gupta, L.; Kim, T.H.; Moo-Young, H.K.; Coleman, A.J. [Lehigh University, Bethlehem, PA (United States). Dept. of Civil & Environmental Engineering

    2006-11-15

    A comparative analysis was performed on eleven coal tars obtained from former manufactured gas plant sites in the eastern United States. Bulk properties analyzed included percent ash, Karl Fisher water content, viscosity and average molecular weight. Chemical properties included monocyclic- and polycyclic-aromatic hydrocarbon (PAH) concentrations, alkylated aromatic concentrations, and concentrations of aliphatic and aromatic fractions. It was found that there was at least an order-of-magnitude variation in all properties measured between the eleven coal tars. Additionally, two coal tars obtained from the same manufactured gas plant site had very different properties, highlighting that there can be wide variations in coal tar properties from different samples obtained from the same site. Similarities were also observed between the coal tars. The relative chemical distributions were similar for all coal tars, and the coal tars predominantly consisted of PAHs, with naphthalene being the single-most prevalent compound. The C{sub 9-22} aromatic fraction, an indicator of all PAHs up to a molecular weight of approximately 276 g mole{sup -1}, showed a strong power-law relationship with the coal tar average molecular weight (MWct). And the concentrations of individual PAHs decreased linearly as MWct increased up to ca. 1000 g mole{sup -1}, above which they remained low and variable. Implications of these properties and their variation with MWct on groundwater quality are discussed. Ultimately, while these similarities do allow generalities to be made about coal tars, the wide range of coal tar bulk and chemical properties reported here highlights the complex nature of coal tars.

  2. Double generalized linear compound poisson models to insurance claims data

    DEFF Research Database (Denmark)

    Andersen, Daniel Arnfeldt; Bonat, Wagner Hugo

    2017-01-01

    This paper describes the specification, estimation and comparison of double generalized linear compound Poisson models based on the likelihood paradigm. The models are motivated by insurance applications, where the distribution of the response variable is composed by a degenerate distribution...... implementation and illustrate the application of double generalized linear compound Poisson models using a data set about car insurances....

  3. Thermal Decomposition Mechanisms of Lignin Model Compounds: From Phenol to Vanillin

    Science.gov (United States)

    Scheer, Adam Michael

    Lignin is a complex, aromatic polymer abundant in cellulosic biomass (trees, switchgrass etc.). Thermochemical breakdown of lignin for liquid fuel production results in undesirable polycyclic aromatic hydrocarbons that lead to tar and soot byproducts. The fundamental chemistry governing these processes is not well understood. We have studied the unimolecular thermal decomposition mechanisms of aromatic lignin model compounds using a miniature SiC tubular reactor. Products are detected and characterized using time-of-flight mass spectrometry with both single photon (118.2 nm; 10.487 eV) and 1 + 1 resonance-enhanced multiphoton ionization (REMPI) as well as matrix isolation infrared spectroscopy. Gas exiting the heated reactor (300 K--1600 K) is subject to a free expansion after a residence time of approximately 100 micros. The expansion into vacuum rapidly cools the gas mixture and allows the detection of radicals and other highly reactive intermediates. By understanding the unimolecular fragmentation patterns of phenol (C6H5OH), anisole (C6H 5OCH3) and benzaldehyde (C6H5CHO), the more complicated thermocracking processes of the catechols (HO-C 6H4-OH), methoxyphenols (HO-C6H4-OCH 3) and hydroxybenzaldehydes (HO-C6H4-CHO) can be interpreted. These studies have resulted in a predictive model that allows the interpretation of vanillin, a complex phenolic ether containing methoxy, hydroxy and aldehyde functional groups. This model will serve as a guide for the pyrolyses of larger systems including lignin monomers such as coniferyl alcohol. The pyrolysis mechanisms of the dimethoxybenzenes (H3C-C 6H4-OCH3) and syringol, a hydroxydimethoxybenzene have also been studied. These results will aid in the understanding of the thermal fragmentation of sinapyl alcohol, the most complex lignin monomer. In addition to the model compound work, pyrolyisis of biomass has been studied via the pulsed laser ablation of poplar wood. With the REMPI scheme, aromatic lignin decomposition

  4. Toxicity of coal-tar and asphalt sealants to eastern newts, Notophthalmus viridescens

    Energy Technology Data Exchange (ETDEWEB)

    Bommarito, T.; Sparling, D.W.; Halbrook, R.S. [South Illinois University, Carbondale, IL (United States). Cooperative Wildlife Research Laboratory

    2010-09-15

    Between 1970 and 2000 the concentration of total polycyclic aromatic hydrocarbons (TPAH) in several lakes across the country increased whereas those of other persistent organic pollutants (POPs) tended to remain stable or declined. Urbanized watersheds experienced greater rises in TPAH concentration compared to non-urban lakes. Sources for urban PAHs include industrial wastes, vehicular exhausts and oil leaks and sealants from pavement surfaces. Both coal-tar and asphalt sealants are used to protect surfaces but runoff from surfaces coated with coal-tar can have mean concentrations of 3500 mg TPAHs kg{sup -1}, much higher than runoff from asphalt-sealed or cement surfaces. Unaltered parent compounds of PAHs can have many lethal and sublethal toxic effects, but oxidation and UV radiation can alter the toxicity of these compounds, sometimes creating degradates that are many times more toxic than parent compounds. The purposes of this study were to determine if coal-tar sealants can be toxic to adult eastern newts (Notophthalmus viridescens) and to compare the toxicity of coal-tar sealant to that of asphalt sealant. Newts were exposed to sediments containing dried sealants ranging from 0 mg kg{sup -1} to 1500 mg kg{sup -1} under simultaneous exposure to UV radiation and visible light to determine concentration/response relationships. No significant mortality occurred with any treatment. Significant effects due to sealants included decreased righting ability and diminished liver enzyme activities. Coal-tar sealant was more effective in inducing these changes than was asphalt sealant.

  5. Cancer fear over coal tar products

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1995-01-01

    Discusses a report by Dutch researchers which suggests that the regular use of coal tar shampoos may significantly increase the risk of cancer due to the high levels of polynuclear aromatic hydrocarbons (PAHs) in the products. The PAH exposure of volunteers using a coal tar anti-dandruff shampoo was studied by measuring the amount of hydroxypyrene, a PAH breakdown product in their urine. Volunteers who had used the shampoo excreted high levels of hydroxypyrene the day after exposure. Excretion by the control group using a non-coal tar anti-dandruff shampoo remained constant. 1 ref., 1 fig.

  6. Coal tar: past, present and future

    Energy Technology Data Exchange (ETDEWEB)

    Thami, G.P.; Sarkar, R. [Government Medical College & Hospital, Chandigarh (India). Dept. of Dermatology & Venerology

    2002-03-01

    Crude coal tar has been used in the treatment of dermatoses for many decades. In the last few years its use has been limited to skin diseases such as psoriasis and chronic dermatitis. Newer topical modalities for psoriasis are being used increasingly for treatment, but have failed to replace crude coal tar as a first-line treatment of psoriasis. The authors review the pharmacology, chemistry and use of crude coal tar in order to reappraise its role as a therapeutic agent in dermatology.

  7. Characterization of acid tar waste from benzol purification | Danha ...

    African Journals Online (AJOL)

    The use of concentrated sulphuric acid to purify benzene, toluene and xylene produces acidic waste known as acid tar. The characterization of the acid tar to determine the composition and physical properties to device a way to use the waste was done. There were three acid tars two from benzene (B acid tar), toluene and ...

  8. Relevance of carbon structure to formation of tar and liquid alkane during coal pyrolysis

    International Nuclear Information System (INIS)

    Liu, Peng; Le, Jiawei; Wang, Lanlan; Pan, Tieying; Lu, Xilan; Zhang, Dexiang

    2016-01-01

    Highlights: • Curve-fitting method was used to quantify the accurate contents of structural carbon. • Effect of carbon structure in coal with different rank on formation of pyrolysis tar was studied. • Numerical interrelation between carbon types in coal structure and tar yield is elaborated. • Effect of carbon structure on formation of liquid alkane during coal pyrolysis is discussed. - Abstract: The relevance of carbon structure to formation of tar and liquid alkane during coal pyrolysis were discussed extensively. The pyrolysis tests were carried out in a tube reactor at 873 K and keep 15 min. The carbon distribution in coals was investigated by solid state "1"3C nuclear magnetic resonance (N.M.R.). The curve-fitting method was used to quantify the accurate contents of structural carbon. The alkanes in coal tar were analyzed by Gas Chromatograph–Mass Spectrometer (GC–MS). The results show that oxygen-linked aromatic carbon decreases with the increasing of coal rank. The aliphatic carbon contents of Huainan (HN) coal are 44.20%, the highest among the four coals. The carbon types in coal structure have a significant influence on the formation of tar and liquid alkane. The coal tar yields are related to the aliphatic substituted aromatic carbon, CH_2/CH_3 ratio and oxygen-linked carbon in coal so that the increasing order of tar yield is Inner Mongolia lignite (IM, 6.30 wt.%) < Sinkiang coal (SK, 7.55 wt.%) < Shenmu coal (SM, 12.84 wt.%) < HN (16.29 wt.%). The highest contents of oxygen-linked aromatic carbon in IM lead to phenolic compound of 41.06% in IM-tar. The contents of alkane in SM-tar are the highest because the appropriate CH_2/CH_3 ratio and the highest aliphatic side chains on aromatic rings in SM leading to generate aliphatic hydrocarbon with medium molecular weight easily. The mechanism on formation of tar and liquid alkane plays an important role in guiding the industrialization of pyrolysis-based poly-generation producing tar with high

  9. Secondary reactions of tar during thermochemical biomass conversion[Dissertation 14341

    Energy Technology Data Exchange (ETDEWEB)

    Morf, P.O.

    2001-07-01

    This dissertation submitted to the Swiss Federal Institute of Technology in Zurich presents and discusses the results obtained during the examination of the processes involved in the formation and conversion of tar in biomass gasification plant. Details are given on the laboratory reactor system used to provide separated tar production and conversion for the purposes of the experiments carried out. The results of analyses made of the tar and the gaseous products obtained after its conversion at various temperatures are presented. The development of kinetic models using the results of the experiments that were carried out is described. The results of the experiments and modelling are compared with the corresponding results obtained using a full-scale down-draft, fixed-bed gasifier. The author is of the opinion that the reaction conditions found in full-scale gasifiers can be well simulated using heterogeneous tar conversion experiments using the lab reactor system.

  10. Analysis of low-temperature tar fractions

    Energy Technology Data Exchange (ETDEWEB)

    Kikkawa, S; Yamada, F

    1952-01-01

    A preliminary comparative study was made on the applicability of the methods commonly used for the type analysis of petroleum products to the low-temperature tar fractions. The usability of chromatography was also studied.

  11. Testing the compounding structure of the CP-INARCH model

    OpenAIRE

    Weiß, Christian H.; Gonçalves, Esmeralda; Lopes, Nazaré Mendes

    2017-01-01

    A statistical test to distinguish between a Poisson INARCH model and a Compound Poisson INARCH model is proposed, based on the form of the probability generating function of the compounding distribution of the conditional law of the model. For first-order autoregression, the normality of the test statistics’ asymptotic distribution is established, either in the case where the model parameters are specified, or when such parameters are consistently estimated. As the test statistics’ law involv...

  12. Criteria for selection of dolomites and catalysts for tar elimination from biomass gasification gas. Kinetic constants

    Energy Technology Data Exchange (ETDEWEB)

    Corella, J; Narvaez, I; Orio, A [Madrid Univ. (Spain). Dept. of Chem. Eng.

    1997-12-31

    Calcined dolomites and commercial steam reforming catalysts are used downstream biomass gasifiers for hot catalytic raw gas cleaning. To further compare these solids under a rigorous basis, a reaction network and a kinetic model are presented. The apparent kinetic constant for the tar reduction is here proposed as a basis of comparison. Tar sampling and analysis, and the units used for the space-time in the catalytic reactor affect the kinetic constants observed. (author) (2 refs.)

  13. Criteria for selection of dolomites and catalysts for tar elimination from biomass gasification gas. Kinetic constants

    Energy Technology Data Exchange (ETDEWEB)

    Corella, J.; Narvaez, I.; Orio, A. [Madrid Univ. (Spain). Dept. of Chem. Eng.

    1996-12-31

    Calcined dolomites and commercial steam reforming catalysts are used downstream biomass gasifiers for hot catalytic raw gas cleaning. To further compare these solids under a rigorous basis, a reaction network and a kinetic model are presented. The apparent kinetic constant for the tar reduction is here proposed as a basis of comparison. Tar sampling and analysis, and the units used for the space-time in the catalytic reactor affect the kinetic constants observed. (author) (2 refs.)

  14. Prediction model of biocrude yield and nitrogen heterocyclic compounds analysis by hydrothermal liquefaction of microalgae with model compounds.

    Science.gov (United States)

    Sheng, Lili; Wang, Xin; Yang, Xiaoyi

    2018-01-01

    The model of biocrude yield and the nitrogen heterocyclic compounds in biocrude of microalgae hydrothermal liquefaction are two of the most concerned issues in this field at present. This study explored a hydrothermal liquefaction biocrude yield model involved in the interaction among biochemical compounds in microalgae and analysed nitrogen heterocyclic compounds in biocrude. The model compound (castor oil, soya protein and glucose) and Nanochloropsis were liquefied at 280°C for 1h. The products were analyzed by GC-MS, element analysis and FTIR. The results suggested that interactions among different components in microalgae enhanced biocrude yield. The biocrude yield prediction model involved cross-interactions performed more accurate than previous models.When the ratio of protein and carbohydrate around 3, the cross-interaction and nitrogen heterocyclic compounds in biocrude would both reach the highest extent. Copyright © 2017. Published by Elsevier Ltd.

  15. Chemical predictive modelling to improve compound quality.

    Science.gov (United States)

    Cumming, John G; Davis, Andrew M; Muresan, Sorel; Haeberlein, Markus; Chen, Hongming

    2013-12-01

    The 'quality' of small-molecule drug candidates, encompassing aspects including their potency, selectivity and ADMET (absorption, distribution, metabolism, excretion and toxicity) characteristics, is a key factor influencing the chances of success in clinical trials. Importantly, such characteristics are under the control of chemists during the identification and optimization of lead compounds. Here, we discuss the application of computational methods, particularly quantitative structure-activity relationships (QSARs), in guiding the selection of higher-quality drug candidates, as well as cultural factors that may have affected their use and impact.

  16. Diversity of 16S rRNA and dioxygenase genes detected in coal-tar-contaminated site undergoing active bioremediation

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, M; Khanna, S [NIIT Univ, Neemrana (India). Dept. of Biotechnology & Bioinformation

    2010-04-15

    In order to develop effective bioremediation strategies for polyaromatic hydrocarbons (PAHs) degradation, the composition and metabolic potential of microbial communities need to be better understood, especially in highly PAH contaminated sites in which little information on the cultivation-independent communities is available. Coal-tar-contaminated soil was collected, which consisted of 122-122.5 mg g{sup -1} total extractable PAH compounds. Biodegradation studies with this soil indicated the presence of microbial community that is capable of degrading the model PAH compounds viz naphthalene, phenanthrene and pyrene at 50 ppm each. PCR clone libraries were established from the DNA of the coal-tar-contaminated soil, targeting the 16S rRNA to characterize (I) the microbial communities, (ii) partial gene fragment encoding the Rieske iron sulfur center {alpha}-subunit) common to all PAH dioxygenase enzymes and (iii) {beta}-subunit of dioxygenase. Phylotypes related to Proteobacteria ({Alpha}-, {Epsilon}- and Gammaproteobacteria), Acidobacteria, Actinobacteria, Firmicutes, Gemmatimonadetes and Deinococci were detected in 16S rRNA derived clone libraries. Many of the gene fragment sequences of alpha-subunit and beta-subunit of dioxygenase obtained from the respective clone libraries fell into clades that are distinct from the reference dioxygenase gene sequences. Presence of consensus sequence of the Rieske type (2Fe2S) cluster binding site suggested that these gene fragments encode for {alpha}-subunit of dioxygenase gene. Sequencing of the cloned libraries representing {alpha}-subunit gene fragments (Rf1) and beta-subunit of dioxygenase showed the presence of hitherto unidentified dioxygenase in coal-tar-contaminated soil.

  17. Hydrogen production from biomass tar by catalytic steam reforming

    International Nuclear Information System (INIS)

    Yoon, Sang Jun; Choi, Young-Chan; Lee, Jae-Goo

    2010-01-01

    The catalytic steam reforming of model biomass tar, toluene being a major component, was performed at various conditions of temperature, steam injection rate, catalyst size, and space time. Two kinds of nickel-based commercial catalyst, the Katalco 46-3Q and the Katalco 46-6Q, were evaluated and compared with dolomite catalyst. Production of hydrogen generally increased with reaction temperature, steam injection rate and space time and decreased with catalyst size. In particular, zirconia-promoted nickel-based catalyst, Katalco 46-6Q, showed a higher tar conversion efficiency and shows 100% conversion even relatively lower temperature conditions of 600 deg. C. Apparent activation energy was estimated to 94 and 57 kJ/mol for dolomite and nickel-based catalyst respectively.

  18. Quantitative determination of acid oils in low-temperature coal tar by means of fractional distillation

    Energy Technology Data Exchange (ETDEWEB)

    Jaeger, A

    1950-01-01

    The aromatic hydroxy compounds in low-temperature tar were separated, and 75 compounds in the boiling range 180/sup 0/ to 320/sup 0/ isolated by means of fractional distillation in packed columns of at least 45 theoretical plates. Mixtures not separable by fractionation were separated by means of other physicochemical or chemical methods. Hydroxy compounds with boiling point up to 230/sup 0/C were detemined quantitatively, as were the phenols present in low-temperature carbonization liquors. With the Krupp-Lurgi process of low-temperature carbonization, 1.8% phenol, 1.8% o-cresol, and 3.6% m-p-cresols were formed. The tar contained up to 1.3% 1:3:5-xylenol and up to 0.9% 1:2:4-xylenol. Of the 12.1% v/v of phenol, cresols, and xylenols present in tar, 11.2% were determined quantitatively, and 9 hydroxy compounds were identified in the remaining 0.9%. On the basis of these investigations, a technical plant that permitted the recovery of pure low-temperature tar phenols and the preparation of a number of different phenol resins from the mixtures was erected.

  19. Experimental and theoretical evaluation of the performance of a tar solar water heater

    International Nuclear Information System (INIS)

    Ammari, H.D.; Nimir, Y.L.

    2003-01-01

    The paper presents an experimental and theoretical evaluation of the performance of a tar solar water heater and comparison with that of a conventional type collector. The performance of both collectors is assessed under the same conditions. Both of the collectors have the same surface area and are glazed. The conventional type has the water tubes welded to the absorber plate, whereas in the tar type, the tar acts as an absorber plate that covers the water tubes. The theoretical model for each collector type, with the transient effects taken into account, is based on a control volume and a time base in the related energy equations. By considering a small element of the collector in each case, three partial differential equations were developed for each collector and were solved numerically by the Runge-Kutta method of the fifth order. A good agreement was achieved between the numerical and experimental results for both the conventional and tar collectors, indicating the feasibility of employing the theoretical model in the design of flat plate solar collectors. The results also showed that the conventional collector is more efficient than the tar type during most of the daylight, but the tar collector had the added advantage of better conservation of energy in late afternoon and evening

  20. Computer modeling the boron compound factor in normal brain tissue

    International Nuclear Information System (INIS)

    Gavin, P.R.; Huiskamp, R.; Wheeler, F.J.; Griebenow, M.L.

    1993-01-01

    The macroscopic distribution of borocaptate sodium (Na 2 B 12 H 11 SH or BSH) in normal tissues has been determined and can be accurately predicted from the blood concentration. The compound para-borono-phenylalanine (p-BPA) has also been studied in dogs and normal tissue distribution has been determined. The total physical dose required to reach a biological isoeffect appears to increase directly as the proportion of boron capture dose increases. This effect, together with knowledge of the macrodistribution, led to estimates of the influence of the microdistribution of the BSH compound. This paper reports a computer model that was used to predict the compound factor for BSH and p-BPA and, hence, the equivalent radiation in normal tissues. The compound factor would need to be calculated for other compounds with different distributions. This information is needed to design appropriate normal tissue tolerance studies for different organ systems and/or different boron compounds

  1. Biogeochemical gradients above a coal tar DNAPL

    Energy Technology Data Exchange (ETDEWEB)

    Scherr, Kerstin E., E-mail: kerstin.brandstaetter-scherr@boku.ac.at [University of Natural Resources and Life Sciences Vienna (BOKU), Department IFA-Tulln, Institute for Environmental Biotechnology, Konrad Lorenz Strasse 20, 3430 Tulln (Austria); Backes, Diana [University of Natural Resources and Life Sciences Vienna (BOKU), Department IFA-Tulln, Institute for Environmental Biotechnology, Konrad Lorenz Strasse 20, 3430 Tulln (Austria); Scarlett, Alan G. [University of Plymouth, Petroleum and Environmental Geochemistry Group, Biogeochemistry Research Centre, Drake Circus, Plymouth, Devon PL4 8AA (United Kingdom); Lantschbauer, Wolfgang [Government of Upper Austria, Directorate for Environment and Water Management, Division for Environmental Protection, Kärntner Strasse 10-12, 4021 Linz (Austria); Nahold, Manfred [GUT Gruppe Umwelt und Technik GmbH, Ingenieurbüro für Technischen Umweltschutz, Plesching 15, 4040 Linz (Austria)

    2016-09-01

    Naturally occurring distribution and attenuation processes can keep hydrocarbon emissions from dense non aqueous phase liquids (DNAPL) into the adjacent groundwater at a minimum. In a historically coal tar DNAPL-impacted site, the de facto absence of a plume sparked investigations regarding the character of natural attenuation and DNAPL resolubilization processes at the site. Steep vertical gradients of polycyclic aromatic hydrocarbons, microbial community composition, secondary water quality and redox-parameters were found to occur between the DNAPL-proximal and shallow waters. While methanogenic and mixed-electron acceptor conditions prevailed close to the DNAPL, aerobic conditions and very low dissolved contaminant concentrations were identified in three meters vertical distance from the phase. Comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS) proved to be an efficient tool to characterize the behavior of the present complex contaminant mixture. Medium to low bioavailability of ferric iron and manganese oxides of aquifer samples was detected via incubation with Shewanella alga and evidence for iron and manganese reduction was collected. In contrast, 16S rDNA phylogenetic analysis revealed the absence of common iron reducing bacteria. Aerobic hydrocarbon degraders were abundant in shallow horizons, while nitrate reducers were dominating in deeper aquifer regions, in addition to a low relative abundance of methanogenic archaea. Partial Least Squares – Canonical Correspondence Analysis (PLS-CCA) suggested that nitrate and oxygen concentrations had the greatest impact on aquifer community structure in on- and offsite wells, which had a similarly high biodiversity (H’ and Chao1). Overall, slow hydrocarbon dissolution from the DNAPL appears to dominate natural attenuation processes. This site may serve as a model for developing legal and technical strategies for the treatment of DNAPL-impacted sites where contaminant plumes are

  2. Cold Preparation of Heroin in a Black Tar Market.

    Science.gov (United States)

    Roth, Alexis M; Armenta, Richard F; Wagner, Karla D; Strathdee, Steffanie A; Goldshear, Jesse L; Cuevas-Mota, Jazmine; Garfein, Richard S

    2017-07-29

    Black tar heroin is typically prepared for injection with heat which decreases the risk of HIV transmission by inactivating the virus. We received reports that persons who inject drugs (PWID) in Tijuana, Baja California, Mexico, a black tar heroin market, were using only water to dissolve heroin. Because Tijuana abuts San Diego County, CA, United States, we undertook the present analyses to determine the prevalence of this practice among PWID in San Diego, California. PWID completed quarterly behavioral assessments and serological testing for blood-borne viruses. Bivariate and multivariable logistic regression models were constructed to assess for individual, social, and structural correlates of preparing heroin without heat within the preceding 6 months. Nearly half of black tar heroin users (149/305) reported they had prepared heroin without heat within 6 months. In multivariable analysis, cold preparation was independently associated with younger age (10 year decrease; AOR = 1.25; 95% CI 1.03, 1.53), more drug injecting acquaintances (per 5 acquaintance increase; AOR = 1.05; 95% CI 1.01, 1.09) and prefilled syringe use (injecting drugs from syringes that are already filled with drugs before purchase; AOR = 1.86; 95% CI 1.14, 3.02). Conclusions/Importance: To our knowledge, this is the first paper to report that PWID living in a black tar heroin market are preparing heroin without heat. Additional research is needed to determine whether this is an endemic practice or PWID are engaging in new forms of drug preparation in response to changes in the environment.

  3. Analytical aspects of the remediation of soil by wet oxidation - Characterisation of tar contaminants and their degradation products

    DEFF Research Database (Denmark)

    Thomsen, A.B.; Nielsen, T.; Plöger, A.

    1999-01-01

    Wet oxidation of tar compounds gives rise to a wide range of products. Due to the incorporation of oxygen, these products become increasingly more water soluble and the analytical strategy has to take into account the different physical/chemicalproperties of the compounds. An interplay between ga...

  4. Creating fluid injectivity in tar sands formations

    Science.gov (United States)

    Stegemeier, George Leo; Beer, Gary Lee; Zhang, Etuan

    2010-06-08

    Methods for treating a tar sands formation are described herein. Methods for treating a tar sands may include heating a portion of a hydrocarbon layer in the formation from one or more heaters located in the portion. The heat may be controlled to increase the permeability of at least part of the portion to create an injection zone in the portion with an average permeability sufficient to allow injection of a fluid through the injection zone. A drive fluid and/or an oxidizing fluid may be provided into the injection zone. At least some hydrocarbons are produced from the portion.

  5. Semi classical model of the neutron resonance compound nucleus

    International Nuclear Information System (INIS)

    Ohkubo, Makio

    1995-01-01

    A Semi-classical model of compound nucleus is developed, where time evolution and recurrence for many degrees of freedom (oscillators) excited simultaneously are explicitly considered. The effective number of oscillators plays the role in the compound nucleus, and the nuclear temperatures are derived, which are in good agreement with the traditional values. Time structures of the compound nucleus at resonance are considered, from which equidistant level series with an envelope of strength function of giant resonance nature is obtained. S-matrix formulation for fine structure resonance is derived. (author)

  6. Statistical molecular design of balanced compound libraries for QSAR modeling.

    Science.gov (United States)

    Linusson, A; Elofsson, M; Andersson, I E; Dahlgren, M K

    2010-01-01

    A fundamental step in preclinical drug development is the computation of quantitative structure-activity relationship (QSAR) models, i.e. models that link chemical features of compounds with activities towards a target macromolecule associated with the initiation or progression of a disease. QSAR models are computed by combining information on the physicochemical and structural features of a library of congeneric compounds, typically assembled from two or more building blocks, and biological data from one or more in vitro assays. Since the models provide information on features affecting the compounds' biological activity they can be used as guides for further optimization. However, in order for a QSAR model to be relevant to the targeted disease, and drug development in general, the compound library used must contain molecules with balanced variation of the features spanning the chemical space believed to be important for interaction with the biological target. In addition, the assays used must be robust and deliver high quality data that are directly related to the function of the biological target and the associated disease state. In this review, we discuss and exemplify the concept of statistical molecular design (SMD) in the selection of building blocks and final synthetic targets (i.e. compounds to synthesize) to generate information-rich, balanced libraries for biological testing and computation of QSAR models.

  7. Behavior of asphaltene model compounds at w/o interfaces.

    Science.gov (United States)

    Nordgård, Erland L; Sørland, Geir; Sjöblom, Johan

    2010-02-16

    Asphaltenes, present in significant amounts in heavy crude oil, contains subfractions capable of stabilizing water-in-oil emulsions. Still, the composition of these subfractions is not known in detail, and the actual mechanism behind emulsion stability is dependent on perceived interfacial concentrations and compositions. This study aims at utilizing polyaromatic surfactants which contains an acidic moiety as model compounds for the surface-active subfraction of asphaltenes. A modified pulse-field gradient (PFG) NMR method has been used to study droplet sizes and stability of emulsions prepared with asphaltene model compounds. The method has been compared to the standard microscopy droplet counting method. Arithmetic and volumetric mean droplet sizes as a function of surfactant concentration and water content clearly showed that the interfacial area was dependent on the available surfactant at the emulsion interface. Adsorption of the model compounds onto hydrophilic silica has been investigated by UV depletion, and minor differences in the chemical structure of the model compounds caused significant differences in the affinity toward this highly polar surface. The cross-sectional areas obtained have been compared to areas from the surface-to-volume ratio found by NMR and gave similar results for one of the two model compounds. The mean molecular area for this compound suggested a tilted geometry of the aromatic core with respect to the interface, which has also been proposed for real asphaltenic samples. The film behavior was further investigated using a liquid-liquid Langmuir trough supporting the ability to form stable interfacial films. This study supports that acidic, or strong hydrogen-bonding fractions, can promote stable water-in-oil emulsion. The use of model compounds opens up for studying emulsion behavior and demulsifier efficiency based on true interfacial concentrations rather than perceived interfaces.

  8. Fruit tree model for uptake of organic compounds from soil

    DEFF Research Database (Denmark)

    Trapp, Stefan; Rasmussen, D.; Samsoe-Petersen, L.

    2003-01-01

    -state, and an example calculation is given. The Fruit Tree Model is compared to the empirical equation of Travis and Arms (T&A), and to results from fruits, collected in contaminated areas. For polar compounds, both T&A and the Fruit Tree Model predict bioconcentration factors fruit to soil (BCF, wet weight based......) of > 1. No empirical data are available to support this prediction. For very lipophilic compounds (log K-OW > 5), T&A overestimates the uptake. The conclusion from the Fruit Tree Model is that the transfer of lipophilic compounds into fruits is not relevant. This was also found by an empirical study...... with PCDD/F. According to the Fruit Tree Model, polar chemicals are transferred efficiently into fruits, but empirical data to verify these predictions are lacking....

  9. Reactions of Lignin Model Compounds in Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Holladay, John E.; Binder, Joseph B.; Gray, Michel J.; White, James F.; Zhang, Z. Conrad

    2009-09-15

    Lignin, a readily available form of biomass, awaits novel chemistry for converting it to valuable aromatic chemicals. Recent work has demonstrated that ionic liquids are excellent solvents for processing woody biomass and lignin. Seeking to exploit ionic liquids as media for depolymerization of lignin, we investigated reactions of lignin model compounds in these solvents. Using Brønsted acid catalysts in 1-ethyl-3-methylimidazolium triflate at moderate temperatures, we obtained up to 11.6% yield of the dealkylation product guaiacol from the model compound eugenol and cleaved phenethyl phenyl ether, a model for lignin ethers. Despite these successes, acid catalysis failed in dealkylation of the unsaturated model compound 4-ethylguaiacol and did not produce monomeric products from organosolv lignin, demonstrating that further work is required to understand the complex chemistry of lignin depolymerization.

  10. Irradiation effects on polymer-model compounds

    International Nuclear Information System (INIS)

    Seguchi, Tadao; Hayakawa, Naohiro; Tamura, Naoyuki; Katsumura, Yosuke; Hayashi, Nariyuki; Tabata, Yoneho

    1991-01-01

    Irradiation effects on n-paraffins and squalane, used as models of polymers, were investigated by product analysis. Four n-paraffins, C 20 H 42 , C 21 H 44 , C 23 H 48 and C 24 H 50 , and squalane (C 30 H 62 ) were γ-irradiated under vacuum in liquid, crystalline and glassy states. The evolved gases were analyzed by gas chromatography and changes in molecular weight were analyzed by liquid chromatography and mass spectroscopy. G-values for crosslinking of n-paraffins were 1.2 for crystalline states (at 25 0 C) and 1.7 for liquid states (at 55 0 C), and showed no difference between odd and even carbon numbers. The G-value of liquid squalane was 1.7; it was 1.3 for the glassy state at low temperature (-77 0 C). Double bonds were common in the crosslinked products, especially after liquid-phase irradiation. The probability of chain scission was estimated as being negligible, though a small number of chain-scission products (which were products of scission at chain-ends or side chains) were observed by gas analysis. (author)

  11. Mathematical modeling of the mixing zone for getting bimetallic compound

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Stanislav L. [Institute of Applied Mechanics, Ural Branch, Izhevsk (Russian Federation)

    2011-07-01

    A mathematical model of the formation of atomic bonds in metals and alloys, based on the electrostatic interaction between the outer electron shells of atoms of chemical elements. Key words: mathematical model, the interatomic bonds, the electron shell of atoms, the potential, the electron density, bimetallic compound.

  12. Numerical simulation of vortex pyrolysis reactors for condensable tar production from biomass

    Energy Technology Data Exchange (ETDEWEB)

    Miller, R.S.; Bellan, J. [California Inst. of Tech., Pasadena, CA (United States). Jet Propulsion Lab.

    1998-08-01

    A numerical study is performed in order to evaluate the performance and optimal operating conditions of vortex pyrolysis reactors used for condensable tar production from biomass. A detailed mathematical model of porous biomass particle pyrolysis is coupled with a compressible Reynolds stress transport model for the turbulent reactor swirling flow. An initial evaluation of particle dimensionality effects is made through comparisons of single- (1D) and multi-dimensional particle simulations and reveals that the 1D particle model results in conservative estimates for total pyrolysis conversion times and tar collection. The observed deviations are due predominantly to geometry effects while directional effects from thermal conductivity and permeability variations are relatively small. Rapid ablative particle heating rates are attributed to a mechanical fragmentation of the biomass particles that is modeled using a critical porosity for matrix breakup. Optimal thermal conditions for tar production are observed for 900 K. Effects of biomass identity, particle size distribution, and reactor geometry and scale are discussed.

  13. Anomalous capillary flow of coal tar pitches

    Energy Technology Data Exchange (ETDEWEB)

    Saint Romain, J.L.; Lahaye, J.; Ehrburger, P.; Couderc, P.

    1986-06-01

    Capillary flow of liquid coal tar pitch into a coke bed was studied. Anomalies in the flow could not be attributed to a plugging effect for mesophase content lower than 20 wt%. The flow behaviour of small pitch droplets can be correlated with the change in physicochemical properties, as measured by the glass transition temperature, on penetration into the coke bed. 4 references.

  14. Coal tar pitch. Interrelations between properties and utilization of coal tar pitch

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G; Koehler, H [Ruetgerswerke A.G., Duisburg (Germany, F.R.)

    1977-06-01

    Coal tar pitch is won as a highly aromatic, thermoplastic residue by destillating coal tar. In this paper the structure as well as the chemical and physical data of this pitch are introduced. In addition to this the actual as well as possible applications are indicated. For example, the pitch can be used for the production of binders, e.g. for electrodes and road construction as well as in combination with plastics for the production of insulating material and corrosion protection material.

  15. Physical and performance properties of coal tar urethanes - pipe

    International Nuclear Information System (INIS)

    Hickney, J.; Hendry, M.

    1984-01-01

    The purpose of this paper is to review certain physical properties of coal tar extended urethane coatings designed specifically for use in the pipe coatings market. The blend of coal tar and urethane resins provides a novel finished product with properties cumulatively inherent in its constituents. Typically, coal tar and coal tar pitch offer exceptional water resistance and cathodic alkali resistance when blended with other resins. An example is the standard coal tar epoxies used for many years in the marine markets for shipbottoms

  16. Fate modelling of chemical compounds with incomplete data sets

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    Impact assessment of chemical compounds in Life Cycle Impact Assessment (LCIA) and Environmental Risk Assessment (ERA) requires a vast amount of data on the properties of the chemical compounds being assessed. These data are used in multi-media fate and exposure models, to calculate risk levels...... in an approximate way. The idea is that not all data needed in a multi-media fate and exposure model are completely independent and equally important, but that there are physical-chemical and biological relationships between sets of chemical properties. A statistical model is constructed to underpin this assumption...... and other indicators. ERA typically addresses one specific chemical, but in an LCIA, the number of chemicals encountered may be quite high, up to hundreds or thousands. This study explores the development of meta-models, which are supposed to reflect the “true”multi-media fate and exposure model...

  17. Tar dew point analyser as a tool in biomass gasification

    Energy Technology Data Exchange (ETDEWEB)

    Vreugdenhil, B.J.; Kuipers, J. [ECN Biomass, Coal and Environmental Research, Petten (Netherlands)

    2008-08-15

    Application of the Tar Dew point Analyzer (TDA) in different biomass based gasification systems and subsequent gas cleaning setups has been proven feasible. Such systems include BFB gasifiers, CFB gasifier and fixed bed gasifiers, with tar crackers or different scrubbers for tar removal. Tar dew points obtained with the TDA give direct insight in the performance of the gas cleaning section and help prevent any tar related problems due to condensation. The current TDA is capable of measuring tar dew points between -20 to 200C. This manuscript will present results from 4 different gasification setups. The range of measured tar dew points is -7 to 164C with comparable results from the calculated dew points based on the SPA measurements. Further detail will be presented on the differences between TDA and SPA results and explanations will be given for deviations that occurred. Improvements for the TDA regarding future work will be presented.

  18. Laccase-mediator catalyzed conversion of model lignin compounds

    Science.gov (United States)

    Laccases play an important role in the biological breakdown of lignin and have great potential in the deconstruction of lignocellulosic feedstocks. We examined a variety of laccases, both commercially prepared and crude extracts, for their ability to oxidize three model lignol compounds (p-coumaryl...

  19. QSAR modeling and chemical space analysis of antimalarial compounds

    Science.gov (United States)

    Sidorov, Pavel; Viira, Birgit; Davioud-Charvet, Elisabeth; Maran, Uko; Marcou, Gilles; Horvath, Dragos; Varnek, Alexandre

    2017-05-01

    Generative topographic mapping (GTM) has been used to visualize and analyze the chemical space of antimalarial compounds as well as to build predictive models linking structure of molecules with their antimalarial activity. For this, a database, including 3000 molecules tested in one or several of 17 anti- Plasmodium activity assessment protocols, has been compiled by assembling experimental data from in-house and ChEMBL databases. GTM classification models built on subsets corresponding to individual bioassays perform similarly to the earlier reported SVM models. Zones preferentially populated by active and inactive molecules, respectively, clearly emerge in the class landscapes supported by the GTM model. Their analysis resulted in identification of privileged structural motifs of potential antimalarial compounds. Projection of marketed antimalarial drugs on this map allowed us to delineate several areas in the chemical space corresponding to different mechanisms of antimalarial activity. This helped us to make a suggestion about the mode of action of the molecules populating these zones.

  20. The nested-doorway model of multistep compound processes

    International Nuclear Information System (INIS)

    Hussein, M.S.

    1982-05-01

    The multistep compound contribution to preequilibrium reaction are discussed within the nested-doorway model. Emphasis is placed on the generalized cross-section auto-correlation function. Several of the more widely used concepts in the conventional, one-class, statistical analysis are discussed and generalized to the multiclass case. A summary of the formal results of the nested-doorway model, obtained within Feshbach's projection operator theory is given. (Author) [pt

  1. The cycle use test of Pt based catalyst for the steam reforming of naphthalene / benzene as model tar compounds of biomass gasification

    Energy Technology Data Exchange (ETDEWEB)

    Furusawa, Takeshi; Saito, Katsuhiko; Sato, Masahide; Suzuki, Noboru [Utsunomiya Univ. (Japan). Graduate School of Engineering

    2010-07-01

    Although Pt/Al{sub 2}O{sub 3} catalyst showed high and stable activity (carbon conv. to gas: 90%) for steam reforming of naphthalene/benzene at 1073 K with S/C=3, this catalyst gradually lost its activity at 1023 K with S/C=3 due to deposition of carboneous species. Two kinds of regeneration treatment was conducted to enlongate the life time of Pt/Al{sub 2}O{sub 3} catalyst. Although regeneration treatment completely remove the carboneous species from catalyst, mild oxidation treatment led to decrease activity due to sintering of Pt particles. On the contrary, hydrogen treatment led to maintain activity until 5th cycle test. It was concluded from these obtained results that hydrogen treatment is suitable regeneration method during cycle test in the case of Pt/Al{sub 2}O{sub 3} catalyst. (orig.)

  2. A study on superoxide dismutase activity of some model compounds.

    Science.gov (United States)

    Liao, Z; Liu, W; Liu, J; Jiang, Y; Shi, J; Liu, C

    1994-08-15

    The synthesis and characteristics of a binuclear ligand N,N,N',N'-tetrakis (2'-benzimidazolyl methyl)-1,4-diethylene amino glycol ether (EGTB) and its series of coordination compounds containing copper(II), iron(III), and manganese(II) with and without exogenous bridging ligand which was imidazolate ion (Im-), bipyridine (bpy), or 1,10-phenanthroline (phen) are reported. Depending on the redox potentials by cyclic voltammetry, the coordination compounds can act as catalysts for the dismutation of superoxide radicals (O2-). The detection of the rate constant of the reaction of superoxide ion with nitroblue tetrazolium (NBT) which is inhibited by superoxide dismutase (SOD) and its model compounds of the EGTB system has been performed by a modified illumination method. The rate constants kQ of the catalytic dismutation have been obtained.

  3. Identifying the source of tar balls deposited along the beaches of Goa in 2013 and comparing with historical data collected along the West Coast of India

    Energy Technology Data Exchange (ETDEWEB)

    Suneel, V., E-mail: vasimallas@nio.org [CSIR-National Institute of Oceanography, Dona Paula, Goa 403004 (India); Vethamony, P., E-mail: mony@nio.org [CSIR-National Institute of Oceanography, Dona Paula, Goa 403004 (India); Naik, B.G., E-mail: bgnaik@nio.org [CSIR-National Institute of Oceanography, Dona Paula, Goa 403004 (India); Krishna, M.S., E-mail: moturi@nio.org [CSIR-National Institute of Oceanography, Regional Centre, Visakhapatnam, 530 017 (India); Jadhav, Lakshmikant, E-mail: lakshya87.0@gmail.com [CSIR-National Institute of Oceanography, Dona Paula, Goa 403004 (India)

    2015-09-15

    Deposition of oil residues, also known as tar balls, is a seasonal phenomenon, and it occurs only in the southwest monsoon season along the west coast of India. This has become a serious environmental issue, as Goa is a global tourist destination. The present work aims at identifying the source oil of the tar balls that consistently depositing along the Goa coast using multi-marker fingerprint technique. In this context, the tar ball samples collected in May 2013 from 9 beaches of Goa coast and crude oils from different oil fields and grounded ship were subject to multi-marker analyses such as n-alkanes, pentacyclic terpanes, regular steranes, compound specific isotope analysis (CSIA) and principle component analysis (PCA). The n-alkane weathering index shows that samples have been weathered to various degrees, and the status of weathering is moderate. Since the international tanker route passes closer to the west coast of India (WCI), it is generally presumed that tanker wash is the source of the tar balls. We found that 2010/2011 tar balls are as tanker wash, but the present study demonstrates that the Bombay High (BH) oil fields can also contribute to oil contamination (tar balls) along ≈ 650 km stretch of the WCI, running from Gujarat in the north to Goa in the south. The simulated trajectories show that all the particles released in April traveled in the southeast direction, and by May, they reached the Goa coast with the influence of circulation of Indian monsoon system. - Highlights: • Multi-marker approach was effective in identifying the source of tar balls. • n-Alkane DRs show weathering effects even within the core of the tar ball. • Tar balls of the west coast of India since 2012 were derived from Bombay High crude. • Tanker-wash is not the only source of tar balls deposited on the beaches of Goa.

  4. Identifying the source of tar balls deposited along the beaches of Goa in 2013 and comparing with historical data collected along the West Coast of India

    International Nuclear Information System (INIS)

    Suneel, V.; Vethamony, P.; Naik, B.G.; Krishna, M.S.; Jadhav, Lakshmikant

    2015-01-01

    Deposition of oil residues, also known as tar balls, is a seasonal phenomenon, and it occurs only in the southwest monsoon season along the west coast of India. This has become a serious environmental issue, as Goa is a global tourist destination. The present work aims at identifying the source oil of the tar balls that consistently depositing along the Goa coast using multi-marker fingerprint technique. In this context, the tar ball samples collected in May 2013 from 9 beaches of Goa coast and crude oils from different oil fields and grounded ship were subject to multi-marker analyses such as n-alkanes, pentacyclic terpanes, regular steranes, compound specific isotope analysis (CSIA) and principle component analysis (PCA). The n-alkane weathering index shows that samples have been weathered to various degrees, and the status of weathering is moderate. Since the international tanker route passes closer to the west coast of India (WCI), it is generally presumed that tanker wash is the source of the tar balls. We found that 2010/2011 tar balls are as tanker wash, but the present study demonstrates that the Bombay High (BH) oil fields can also contribute to oil contamination (tar balls) along ≈ 650 km stretch of the WCI, running from Gujarat in the north to Goa in the south. The simulated trajectories show that all the particles released in April traveled in the southeast direction, and by May, they reached the Goa coast with the influence of circulation of Indian monsoon system. - Highlights: • Multi-marker approach was effective in identifying the source of tar balls. • n-Alkane DRs show weathering effects even within the core of the tar ball. • Tar balls of the west coast of India since 2012 were derived from Bombay High crude. • Tanker-wash is not the only source of tar balls deposited on the beaches of Goa

  5. Recovery of naphthalene, anthracene, etc. , from tar

    Energy Technology Data Exchange (ETDEWEB)

    1920-12-25

    A process is described for the recovery of naphthalene, anthracene, and the like from tar oils and similar liquors, characterized in that the oil is treated in a rapidly rotating hammer mill, such as a colloid mill, with water sufficient, in the presence or absence of suitable solvents, for the only portion preferably in the presence of emulsifiers; and is filtered through a filter with fine pores.

  6. Identification of sources of tar balls deposited along the Goa coast, India, using fingerprinting techniques

    Digital Repository Service at National Institute of Oceanography (India)

    Suneel, V.; Vethamony, P.; Zakaria, M.P.; Naik, B.G.; Prasad, K.V.

    . Christensen et al (2007) reviewed the practical aspects of chemometrics for oil spill fingerprinting and provided a basis for the use of chemometric 3    methods in tiered oil spill fingerprinting. Biomarker compounds such as isoprenoid alkanes, hopanes... deposited along the Malaysian beaches. Low molecular weight/high molecular weight ratios (L/H) of both alkanes and PAHs together are useful in categorizing the weathering effects of tar balls (Chandru et al., 2008). However, in cases...

  7. Output-only modal parameter estimator of linear time-varying structural systems based on vector TAR model and least squares support vector machine

    Science.gov (United States)

    Zhou, Si-Da; Ma, Yuan-Chen; Liu, Li; Kang, Jie; Ma, Zhi-Sai; Yu, Lei

    2018-01-01

    Identification of time-varying modal parameters contributes to the structural health monitoring, fault detection, vibration control, etc. of the operational time-varying structural systems. However, it is a challenging task because there is not more information for the identification of the time-varying systems than that of the time-invariant systems. This paper presents a vector time-dependent autoregressive model and least squares support vector machine based modal parameter estimator for linear time-varying structural systems in case of output-only measurements. To reduce the computational cost, a Wendland's compactly supported radial basis function is used to achieve the sparsity of the Gram matrix. A Gamma-test-based non-parametric approach of selecting the regularization factor is adapted for the proposed estimator to replace the time-consuming n-fold cross validation. A series of numerical examples have illustrated the advantages of the proposed modal parameter estimator on the suppression of the overestimate and the short data. A laboratory experiment has further validated the proposed estimator.

  8. Surface characterisation of synthetic coal chars made from model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Arenillas, A.; Pevida, C.; Rubiera, F.; Palacios, J.M.; Navarrete, R.; Denoyel, R.; Rouquerol, J.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Oviedo (Spain)

    2004-07-01

    Knowledge of surface properties is essential for understanding the reaction mechanisms involved in several coal conversion processes. However, due to the complexity and heterogeneity of coal this is rather difficult and the use of known model compounds could be a valuable tool. Single model compounds have been widely used, but they give a quite simplified picture. In this work a mixture of model compounds in a phenol-formaldehyde matrix was cured in order to create cross-linked structures. The obtained synthetic coal was pyrolysed in a fixed bed reactor, under helium atmosphere. The surface composition of the chars was evaluated by XPS, adsorption gravimetry of water vapour, temperature-programmed desorption and potentiometric titration. Texture was characterised by N{sub 2} and CO{sub 2} adsorption isotherms at 77 and 273 K, respectively, and immersion calorimetry in benzene. The results obtained from the different techniques were contrasted in order to give an overview of the surface properties (chemical and physical) of the samples studied. Chars obtained under the same operating conditions from a high volatile bituminous coal were used as a reference.

  9. THREE DIMENSIONAL CFD MODELLING OF FLOW STRUCTURE IN COMPOUND CHANNELS

    Directory of Open Access Journals (Sweden)

    Usman Ghani

    2010-10-01

    Full Text Available The computational modeling of three dimensional flows in a meandering compound channel has been performed in this research work. The flow calculations are performed by solving 3D steady state continuity and Reynolds averaged Navier-Stokes equations. The turbulence closure is approximated with standard - turbulence model. The model equations are solved numerically with a general purpose software package. A comprehensive validation of the simulated results against the experimental data and a demonstration that the software used in this study has matured enough for investigating practical engineering problems are the major contributions of this paper. The model was initially validated. This was achieved by computing streamwise point velocities at different depths of various sections and depth averaged velocities at three cross sections along the main channel and comparing these results with experimental data. After the validation of the model, predictions were made for different flow parameters including velocity contours at the surface, pressure distribution, turbulence intensity etc. The results gave an overall understanding of these flow variables in meandering channels. The simulation also established the good prediction capability of the standard - turbulence model for flows in compound channels.

  10. P-matrix in the quark compound bag model

    International Nuclear Information System (INIS)

    Kalashnikova, Yu.S.; Narodetskij, I.M.; Veselov, A.I.

    1983-01-01

    Meaning of the P-matrix analysis is discussed within the quark compound bag (QCB) model. The most general version of this model is considered including the arbitrary coupling between quark and hadronic channels and the arbitrary smearipg of the surface interection region. The behaviour of P-matrix poles as functions of matching radius r,L0 is discussed for r 0 > + . In conclusion are presented the parameters of an illustrative set of NN potentials that has been obtained from the P-matrix fit to experimental data

  11. Solvent extraction of Southern US tar sands

    Energy Technology Data Exchange (ETDEWEB)

    Penney, W.R.

    1990-01-01

    The Department of Chemical Engineering at the University of Arkansas, in association with Diversified Petroleum Recovery, Inc. (DPR) of Little Rock, Arkansas, has been developing a solvent extraction process for the recovery of bitumen from tar sands for the past five years. The unique feature of the process is that the bitumen is recovered from the solvent by contacting with a co-solvent, which causes the bitumen to precipitate. The overall purpose of this project is to study both the technical and economic feasibility of applying this technology for recovery of bitumen from tar sands by (1) investigating the socioeconmic factors which affect (a) plant siting and (b) the market value of recovered bitumen; (2) operating a process demonstration unit at the rate of 1 lb/hr recovered bitumen while producing clean sand and recyclable solvents; and (3) determine the economic conditions which will make a bitumen recovery project economical. DPR has analyzed the historical trends of domestic production, consumption, discoveries and reserves of crude oil. They have started an investigation of the volatility in the price of crude oil and of gasoline prices and of the differential between gasoline and crude oil. DPR continues to analyze the geographical movement and demand for asphalt products. Utah does not appear economically attractive as a site for a bitumen from tar sands asphalt plant. Oklahoma sites are now being studied. This report also contains the quarterly progress report from a University of Nevada study to determine bitumen composition, oxygen uptake rates, and viscosities of Alabama and Utah bitumens. Both reports have been indexed separately for inclusion on the data base.

  12. Process from removing benzine, toluene, etc. , from petroleum residues, coal tar, and shale tar, etc

    Energy Technology Data Exchange (ETDEWEB)

    Hlawaty, F

    1888-08-11

    A process is described for the preparation of ligroin and its homologs as well as naphthalene and anthracene consisting in leading superheated water vapor into a mixture of petroleum residues (or mineral coal tar, etc.) heated to about 400/sup 0/C with cellulosic substances as sage shreds, sea grass, or straw, with addition of caustic alkali.

  13. Lindley frailty model for a class of compound Poisson processes

    Science.gov (United States)

    Kadilar, Gamze Özel; Ata, Nihal

    2013-10-01

    The Lindley distribution gain importance in survival analysis for the similarity of exponential distribution and allowance for the different shapes of hazard function. Frailty models provide an alternative to proportional hazards model where misspecified or omitted covariates are described by an unobservable random variable. Despite of the distribution of the frailty is generally assumed to be continuous, it is appropriate to consider discrete frailty distributions In some circumstances. In this paper, frailty models with discrete compound Poisson process for the Lindley distributed failure time are introduced. Survival functions are derived and maximum likelihood estimation procedures for the parameters are studied. Then, the fit of the models to the earthquake data set of Turkey are examined.

  14. Heating tar sands formations while controlling pressure

    Science.gov (United States)

    Stegemeier, George Leo [Houston, TX; Beer, Gary Lee [Houston, TX; Zhang, Etuan [Houston, TX

    2010-01-12

    Methods for treating a tar sands formation are described herein. Methods may include heating at least a section of a hydrocarbon layer in the formation from a plurality of heaters located in the formation. A pressure in the majority of the section may be maintained below a fracture pressure of the formation. The pressure in the majority of the section may be reduced to a selected pressure after the average temperature reaches a temperature that is above 240.degree. C. and is at or below pyrolysis temperatures of hydrocarbons in the section. At least some hydrocarbon fluids may be produced from the formation.

  15. Heating tar sands formations to visbreaking temperatures

    Science.gov (United States)

    Karanikas, John Michael [Houston, TX; Colmenares, Tulio Rafael [Houston, TX; Zhang, Etuan [Houston, TX; Marino, Marian [Houston, TX; Roes, Augustinus Wilhelmus Maria [Houston, TX; Ryan, Robert Charles [Houston, TX; Beer, Gary Lee [Houston, TX; Dombrowski, Robert James [Houston, TX; Jaiswal, Namit [Houston, TX

    2009-12-22

    Methods for treating a tar sands formation are described herein. Methods may include heating at least a section of a hydrocarbon layer in the formation from a plurality of heaters located in the formation. The heat may be controlled so that at least a majority of the section reaches an average temperature of between 200.degree. C. and 240.degree. C., which results in visbreaking of at least some hydrocarbons in the section. At least some visbroken hydrocarbon fluids may be produced from the formation.

  16. Polycyclic aromatic hydrocarbons (PAHs) and hopanes in stranded tar-balls on the coasts of peninsular Malaysia: applications of biomarkers for identifying sources of oil pollution

    International Nuclear Information System (INIS)

    Zakaria, Mohamad Pauzi; Okuba, Tomoaki; Takada, Hideshige

    2001-01-01

    Malaysian coasts are subjected to various threats of petroleum pollution including routine and accidental oil spill from tankers, spillage of crude oils from inland and offshore oil fields, and run-off from land-based human activities. Due to its strategic location, the Straits of Malacca serves as a major shipping lane. This paper expands the utility of biomarker compounds, hopanes, in identifying the source of tar-balls stranded on Malaysian coasts. 20 tar-ball samples collected from the east and west coast were analysed for hopanes and polycylic aromatic hydrocarbons (PAHs). Four of the 13 tar-ball samples collected from the west coast of Peninsular Malaysia were identified as the Middle East crude oil (MECO) based on their biomarker signatures, suggesting tanker-derived sources significantly contributing the petroleum pollution in the Straits of Malacca. The tar-balls found on the east cost seem to originate from the offshore oil platforms in the South China Sea. The presence of South East Asian crude oil (SEACO) tar-balls on the west coast carry several plausible explanations. Some of the tar-balls could have been transported via sea currents from the east coast. The tankers carrying SEACO to other countries could have accidentally spilt the oil as well. Furthermore, discharge of tank washings and ballast water from the tankers were suggested based on the abundance in higher molecular weight n-alkanes and the absence of unresolved complex mixture (UCM) in the tar-ball samples. The other possibilities are that the tar-balls may have originated from the Sumatran oil fields and spillage of domestic oil from oil refineries in Port Dickson and Malacca. The results of PAHs analysis suggest that all the tar-ball samples have undergone various extent of weathering through evaporation, dissolution and photo-oxidation. (Author)

  17. Polycyclic aromatic hydrocarbon (PAHs) and hopanes in stranded tar-balls on the coasts of Peninsular Malaysia: applications of biomarkers for identifying sources of oil pollution.

    Science.gov (United States)

    Zakaria, M P; Okuda, T; Takada, H

    2001-12-01

    Malaysian coasts are subjected to various threats of petroleum pollution including routine and accidental oil spill from tankers, spillage of crude oils from inland and off-shore oil fields, and run-off from land-based human activities. Due to its strategic location, the Straits of Malacca serves as a major shipping lane. This paper expands the utility of biomarker compounds, hopanes, in identifying the source of tar-balls stranded on Malaysian coasts. 20 tar-ball samples collected from the east and west coast were analyzed for hopanes and polycyclic aromatic hydrocarbons (PAHs). Four of the 13 tar-ball samples collected from the west coast of Peninsular Malaysia were identified as the Middle East crude oil (MECO) based on their biomarker signatures, suggesting tanker-derived sources significantly contributing the petroleum pollution in the Straits of Malacca. The tar-balls found on the east coast seem to originate from the offshore oil platforms in the South China Sea. The presence of South East Asian crude oil (SEACO) tar-balls on the west coast carry several plausible explanations. Some of the tar-balls could have been transported via sea currents from the east coast. The tankers carrying SEACO to other countries could have accidentally spilt the oil as well. Furthermore, discharge of tank washings and ballast water from the tankers were suggested based on the abundance in higher molecular weight n-alkanes and the absence of unresolved complex mixture (UCM) in the tar-ball samples. The other possibilities are that the tar-balls may have been originated from the Sumatran oil fields and spillage of domestic oil from oil refineries in Port Dickson and Malacca. The results of PAHs analysis suggest that all the tar-ball samples have undergone various extent of weathering through evaporation, dissolution and photooxidation.

  18. Investigation on chemistry of model compounds of technetium radiopharmaceuticals

    International Nuclear Information System (INIS)

    Muenze, R.; Hartmann, E.

    1983-01-01

    The report summarized experimental and theoretical results concerning the chemical structures and the biodistribution of hydrophilic technetium chelates with hydroxycarboxylic and aminopolycarboxylic acids, thiol compounds and aliphatic and aromatic nitrogen compounds as ligands. Methods which are suitable for synthesizing and characterizing defined chelates of Tc(V), Tc(IV) and Tc(III) have been developed for crystlline substances and species in solution, respectively. For certain types of technetium chelates three dimensional structure models were calculated from atomic parameters. The electron energies and electron distribution of Tc(V) thiol compounds were calculated by quantum chemical methods in order to interprete physical properties of these substances. Biodistribution studies revealed relationships between the osteotropic behaviour and the structure of phosphorous and non-phosphorous technetium chelates and between the kidney uptake and ligand exchange ability of Tc(V) hydroxycarboxylates. Important parameters for the production of technetium-99m kits have been elaborated and used for the optimization of radiopharmaceuticals (bone-, kidney and hepatobiliaer agents). (author)

  19. Distillation of tar and tar fractions in the presence of surface-active coke

    Energy Technology Data Exchange (ETDEWEB)

    Jaeppelt, A; Klaus, J

    1943-01-01

    The tar obtained by low-temperature carbonization of Upper Silesian gas coke and fractions from this tar were distilled in the presence of different grades of coke dust with varying surface activity; the coke had been activated by steam in the course of its production by low-temperature carbonization. The surface activity of the coke dusts was measured by determining the heat of wetting with C/sub 6/H/sub 6/. Tar and coke dust, both anhydrous, were mixed in a kneading machine in such proportions that the capillaries of the dust were saturated and enough ''externally'' bound tar was present to permit briquetting. The briquets were distilled without cracking and with steam as heating medium. The yield and quality of the distillate depended on the magnitude of the internal surface of the coke dust used; a mixture of a very active coke from brown coal and tar yielded a distillate with Conradson carbon residue of 1.34 percent, asphalt content 6.1 percent and eta/sub 20/ 5.4/sup 0/ E. as compared with C residue of 10.95 percent, asphalt content 33.5 percent and eta/sub 20/ 123.6/sup 0/ E. of the distillate obtained in the absence of surface-active coke. Even higher-boiling fractions can be improved by this treatment, although it is preferable to use oils with an initial boiling point below 300/sup 0/. The ratio of oil to adsorbent is not critical, but better results were obtained with higher percentages of added coke dust. The process in its present form is not suited for the conversion of crude creosote to useful phenols.

  20. New method for the exact determination of phenols in low-temperature tar and tar oils

    Energy Technology Data Exchange (ETDEWEB)

    Lambris, G; Haferkorn, H

    1949-01-01

    A 3-gram sample of water-free tar or tar oil containing approximately 50% phenols is dissolved in a mixture of benzene and xylene and a known excess of a 20% KOH solution of known normality saturated with benzene and xylene is added. Weight of the KOH is determined by difference. This mixture is shaken repeatedly in a 300-milliliter separatory funnel. After standing for 0.5 h, the dark or almost black phenolate solution containing the major portion is separated and weighed. Care must be taken to prevent the induction of solids. The phenolate in the residue is extracted with hot water and titrated with 0.2N HCl and 1 ml. Congo red (1:100). If water is present in the tar or tar oil, 100 ml of xylene is added immediately after weighing and the water separated by distillation the weight of which must be determined. Any phenols carried over are dissolved in the small quantity of xylene in the distillate. This quantity is added to the bulk of the xylene. After any remaining phenols are extracted from the tar residue with boiling benzene, the benzene-xylene mixture is treated with KOH as above. The accuracy of the method is estimated to be +-1% as shown by experiments with phenol; o-, m-, and p-cresol; cresol mixture; and pyrocatechol. The weight of the dissolved phenols X is determined by X = c - a + cd/(ab - d) where a = weight of KOH, b = HCl used per gram of KOH, C = weight of major portion of phenolate solution, which is formed by shaking the phenol solution with KOH, d = HCl used for titration of phenolate residue.

  1. A Compound Model for the Origin of Earth's Water

    Science.gov (United States)

    Izidoro, A.; de Souza Torres, K.; Winter, O. C.; Haghighipour, N.

    2013-04-01

    One of the most important subjects of debate in the formation of the solar system is the origin of Earth's water. Comets have long been considered as the most likely source of the delivery of water to Earth. However, elemental and isotopic arguments suggest a very small contribution from these objects. Other sources have also been proposed, among which local adsorption of water vapor onto dust grains in the primordial nebula and delivery through planetesimals and planetary embryos have become more prominent. However, no sole source of water provides a satisfactory explanation for Earth's water as a whole. In view of that, using numerical simulations, we have developed a compound model incorporating both the principal endogenous and exogenous theories, and investigating their implications for terrestrial planet formation and water delivery. Comets are also considered in the final analysis, as it is likely that at least some of Earth's water has cometary origin. We analyze our results comparing two different water distribution models, and complement our study using the D/H ratio, finding possible relative contributions from each source and focusing on planets formed in the habitable zone. We find that the compound model plays an important role by showing greater advantage in the amount and time of water delivery in Earth-like planets.

  2. A COMPOUND MODEL FOR THE ORIGIN OF EARTH'S WATER

    International Nuclear Information System (INIS)

    Izidoro, A.; Winter, O. C.; De Souza Torres, K.; Haghighipour, N.

    2013-01-01

    One of the most important subjects of debate in the formation of the solar system is the origin of Earth's water. Comets have long been considered as the most likely source of the delivery of water to Earth. However, elemental and isotopic arguments suggest a very small contribution from these objects. Other sources have also been proposed, among which local adsorption of water vapor onto dust grains in the primordial nebula and delivery through planetesimals and planetary embryos have become more prominent. However, no sole source of water provides a satisfactory explanation for Earth's water as a whole. In view of that, using numerical simulations, we have developed a compound model incorporating both the principal endogenous and exogenous theories, and investigating their implications for terrestrial planet formation and water delivery. Comets are also considered in the final analysis, as it is likely that at least some of Earth's water has cometary origin. We analyze our results comparing two different water distribution models, and complement our study using the D/H ratio, finding possible relative contributions from each source and focusing on planets formed in the habitable zone. We find that the compound model plays an important role by showing greater advantage in the amount and time of water delivery in Earth-like planets.

  3. Neurotoxicity in Preclinical Models of Occupational Exposure to Organophosphorus Compounds

    Science.gov (United States)

    Voorhees, Jaymie R.; Rohlman, Diane S.; Lein, Pamela J.; Pieper, Andrew A.

    2017-01-01

    Organophosphorus (OPs) compounds are widely used as insecticides, plasticizers, and fuel additives. These compounds potently inhibit acetylcholinesterase (AChE), the enzyme that inactivates acetylcholine at neuronal synapses, and acute exposure to high OP levels can cause cholinergic crisis in humans and animals. Evidence further suggests that repeated exposure to lower OP levels insufficient to cause cholinergic crisis, frequently encountered in the occupational setting, also pose serious risks to people. For example, multiple epidemiological studies have identified associations between occupational OP exposure and neurodegenerative disease, psychiatric illness, and sensorimotor deficits. Rigorous scientific investigation of the basic science mechanisms underlying these epidemiological findings requires valid preclinical models in which tightly-regulated exposure paradigms can be correlated with neurotoxicity. Here, we review the experimental models of occupational OP exposure currently used in the field. We found that animal studies simulating occupational OP exposures do indeed show evidence of neurotoxicity, and that utilization of these models is helping illuminate the mechanisms underlying OP-induced neurological sequelae. Still, further work is necessary to evaluate exposure levels, protection methods, and treatment strategies, which taken together could serve to modify guidelines for improving workplace conditions globally. PMID:28149268

  4. Synthesis Of 2- (1- Naphthyl) Ethanoic Acid ( Plant Growth Regulator ) From Coal Tar And Its Application

    International Nuclear Information System (INIS)

    Khin Mooh Theint; Tin Myint Htwe

    2011-12-01

    Plant growth regulators, which are commonly called as plant hormones, naturally produced non-nutrient chemical compounds involved in growth and development. Among the various kinds of plant growth regulators, 2- (1- Naphthyl ) ethanoic acid especially encourages the root development of the plant. In this work, NAA was successfuly synthesized from naphthalene which was extracted from coal tar. The purity of naphthalene, -Chloromethyl naphthalene, -Naphthyl acetonitrile, - Naphthyl acetic acid or 2 - ( 1-Naphthyl ) ethanoic acid were also confirmed by Thin Layer Chromatography, and by spectroscopy methods. The yield percent of NAA based on naphthalene was found to be 2.1%. The yield percent of naphthaleneFrom coal tar is found to be 4.09%. The effect of NAA on root development was also studied in different concentrations of soy bean (Glycine max)and cow pea (Vigna catjang walp).

  5. 48 CFR Appendix to Part 1252 - Tar Matrix

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Tar Matrix Appendix to Part 1252 Federal Acquisition Regulations System DEPARTMENT OF TRANSPORTATION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Pt. 1252, App. Appendix to Part 1252—Tar Matrix ER27DE05.000...

  6. The catalytic cracking mechanism of lignite pyrolysis char on tar

    International Nuclear Information System (INIS)

    Lei, Z.; Huibin, H.; Xiangling, S.; Zhenhua, M.; Lei, Z.

    2017-01-01

    The influence of different pyrolysis conditions for tar catalytic cracking will be analyzed according to the lignite pyrolysis char as catalyst on pyrolytic tar in this paper. The pyrolysis char what is the by-product of the cracking of coal has an abundant of pore structure and it has good catalytic activity. On this basis, making the modified catalyst when the pyrolysis char is activation and loads Fe by impregnation method. The cracking mechanism of lignite pyrolytic tar is explored by applying gas chromatograph to analyze splitting products of tar. The experimental results showed that: (1) The effect of tar cracking as the pyrolysis temperature, the heating rate, the volatilization of pyrolysis char and particle size increasing is better and better. The effect of the catalytic and cracking of lignite pyrolysis char in tar is best when the heating rate, the pyrolysis temperature, the volatiles of pyrolysis char, particle size is in specific conditions.(2) The activation of pyrolysis char can improve the catalytic effect of pyrolysis char on the tar cracking. But it reduces the effect of the tar cracking when the pyrolysis char is activation loading Fe. (author)

  7. Evaluation of Gravimetric Tar Determination in Particle Samples

    DEFF Research Database (Denmark)

    Hindsgaul, Claus; Henriksen, Ulrik B.; Bentzen, Jens Dall

    2000-01-01

    A comparison of tar determination of particles from a down-draft gasifier using soxhlet extractions (with anisole, dichloromethane and acetone) and pyrolysis of the particles.......A comparison of tar determination of particles from a down-draft gasifier using soxhlet extractions (with anisole, dichloromethane and acetone) and pyrolysis of the particles....

  8. Effective conversion of biomass tar into fuel gases in a microwave reactor

    Energy Technology Data Exchange (ETDEWEB)

    Anis, Samsudin, E-mail: samsudin-anis@yahoo.com [Department of Mechanical Engineering, Universitas Negeri Semarang, Kampus Sekaran, Gunungpati, 50229 Semarang, 8508101 (Indonesia); Zainal, Z. A., E-mail: mezainal@usm.my [School of Mechanical Engineering, Universiti Sains Malaysia, Engineering Campus, 14300 Nibong Tebal, Penang (Malaysia)

    2016-06-03

    This work deals with conversion of naphthalene (C{sub 10}H{sub 8}) as a biomass tar model compound by means of thermal and catalytic treatments. A modified microwave oven with a maximum output power of 700 W was used as the experimental reactor. Experiments were performed in a wide temperature range of 450-1200°C at a predetermined residence time of 0.24-0.5 s. Dolomite and Y-zeolite were applied to convert naphthalene catalytically into useful gases. Experimental results on naphthalene conversion showed that conversion efficiency and yield of gases increased significantly with the increase of temperature. More than 90% naphthalene conversion efficiency was achieved by thermal treatment at 1200°C and 0.5 s. Nevertheless, this treatment was unfavorable for fuel gases production. The main product of this treatment was soot. Catalytic treatment provided different results with that of thermal treatment in which fuel gases formation was found to be the important product of naphthalene conversion. At a high temperature of 900°C, dolomite had better conversion activity where almost 40 wt.% of naphthalene could be converted into hydrogen, methane and other hydrocarbon gases.

  9. Aquatic pathways model to predict the fate of phenolic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Aaberg, R.L.; Peloquin, R.A.; Strenge, D.L.; Mellinger, P.J.

    1983-04-01

    Organic materials released from energy-related activities could affect human health and the environment. To better assess possible impacts, we developed a model to predict the fate of spills or discharges of pollutants into flowing or static bodies of fresh water. A computer code, Aquatic Pathways Model (APM), was written to implement the model. The computer programs use compartmental analysis to simulate aquatic ecosystems. The APM estimates the concentrations of chemicals in fish tissue, water and sediment, and is therefore useful for assessing exposure to humans through aquatic pathways. The APM will consider any aquatic pathway for which the user has transport data. Additionally, APM will estimate transport rates from physical and chemical properties of chemicals between several key compartments. The major pathways considered are biodegradation, fish and sediment uptake, photolysis, and evaporation. The model has been implemented with parameters for distribution of phenols, an important class of compounds found in the water-soluble fractions of coal liquids. Current modeling efforts show that, in comparison with many pesticides and polyaromatic hydrocarbons (PAH), the lighter phenolics (the cresols) are not persistent in the environment. The properties of heavier molecular weight phenolics (indanols, naphthols) are not well enough understood at this time to make similar judgements. For the twelve phenolics studied, biodegradation appears to be the major pathway for elimination from aquatic environments. A pond system simulation (using APM) of a spill of solvent refined coal (SRC-II) materials indicates that phenol, cresols, and other single cyclic phenolics are degraded to 16 to 25 percent of their original concentrations within 30 hours. Adsorption of these compounds into sediments and accumulation by fish was minor.

  10. Microstructure and properties of lignite tar and pitch. Part II

    Energy Technology Data Exchange (ETDEWEB)

    Walther, H

    1954-01-01

    Photomicrographs reveal the presence of crystalline wax which affects the working properties in lignite tars and pitch. The crystals are large needles after slow cooling and small after rapid cooling. The crystals are paraffinic in character. All samples were nonhomogeneous. Thus the properties of lignite tar and pitch are varied by the source of the lignite and history of the specimen, neither softening point nor dropping point seems to satisfactorily characterize these tars. The samples exhibit thixotropic behavior characteristic of a structural viscosity and show hysteresis loops on varying the working rate. The variations have hindered use of lignite tars and pitches except where solubility in a solvent such as coal tar oil can be used to advantage.

  11. DECOMPOSITION OF TARS IN MICROWAVE PLASMA – PRELIMINARY RESULTS

    Directory of Open Access Journals (Sweden)

    Mateusz Wnukowski

    2014-07-01

    Full Text Available The paper refers to the main problem connected with biomass gasification - a presence of tar in a product gas. This paper presents preliminary results of tar decomposition in a microwave plasma reactor. It gives a basic insight into the construction and work of the plasma reactor. During the experiment, researches were carried out on toluene as a tar surrogate. As a carrier gas for toluene and as a plasma agent, nitrogen was used. Flow rates of the gases and the microwave generator’s power were constant during the whole experiment. Results of the experiment showed that the decomposition process of toluene was effective because the decomposition efficiency attained above 95%. The main products of tar decomposition were light hydrocarbons and soot. The article also gives plans for further research in a matter of tar removal from the product gas.

  12. The search for a source rock for the giant Tar Sand triangle accumulation, southeastern Utah

    Science.gov (United States)

    Huntoon, J.E.; Hansley, P.L.; Naeser, N.D.

    1999-01-01

    A large proportion (about 36%) of the world's oil resource is contained in accumulations of heavy oil or tar. In these large deposits of degraded oil, the oil in place represents only a fraction of what was present at the time of accumulation. In many of these deposits, the source of the oil is unknown, and the oil is thought to have migrated over long distances to the reservoirs. The Tar Sand triangle in southeastern Utah contains the largest tar sand accumulation in the United States, with 6.3 billion bbl of heavy oil estimated to be in place. The deposit is thought to have originally contained 13-16 billion bbl prior to the biodegradation, water washing, and erosion that have taken place since the middle - late Tertiary. The source of the oil is unknown. The tar is primarily contained within the Lower Permian White Rim Sandstone, but extends into permeable parts of overlying and underlying beds. Oil is interpreted to have migrated into the White Rim sometime during the Tertiary when the formation was at a depth of approximately 3500 m. This conclusion is based on integration of fluid inclusion analysis, time-temperature reconstruction, and apatite fission-track modeling for the White Rim Sandstone. Homogenization temperatures cluster around 85-90??C for primary fluid inclusions in authigenic, nonferroan dolomite in the White Rim. The fluid inclusions are associated with fluorescent oil-bearing inclusions, indicating that dolomite precipitation was coeval with oil migration. Burial reconstruction suggests that the White Rim Sandstone reached its maximum burial depth from 60 to 24 Ma, and that maximum burial was followed by unroofing from 24 to 0 Ma. Time-temperature modeling indicates that the formation experienced temperatures of 85-90??C from about 35 to 40 Ma during maximum burial. Maximum formation temperatures of about 105-110??C were reached at about 24 Ma, just prior to unroofing. Thermal modeling is used to examine the history of potential source rocks

  13. Removing tar information from cigarette packages may reduce South Korean smokers' misconceptions about low-tar cigarettes

    Directory of Open Access Journals (Sweden)

    Hye-Jin Paek

    2018-03-01

    Full Text Available Background Many smokers still have misconceptions about “light” or “low tar” cigarettes. In South Korea, low-tar (< 3 mg cigarette sales have increased sharply from 1.8% in 2002 to 49.2% in 2015. Although government regulations forbid cigarette packages from displaying messages such as “mild,” “low-tar,” and “light,” numbers indicating tar amounts are still permitted. This study examines whether removing tar information from packaging altogether reduces people's misconceptions about low tar cigarettes. Methods An online experiment was conducted among 531 smokers who were randomly assigned to one of two conditions. In the “tar” condition, 271 participants were shown in random order three cigarette packages for three major brands (Esse, The One, Marlboro with different tar amounts. In the “no-tar” condition, 260 participants were shown the same packages without tar information. Next, participants evaluated which type of cigarette was mildest, least harmful, easier for nonsmokers to start smoking, and easier for smokers to quit. After descriptive statistics were checked, twelve sets of chi-square tests were performed. Results Average age of the participants was 26.22 (14 - 62 years; 53.5% were male. All 12 chi-square tests were statistically significant. Participants in the tar condition judged the lowest-tar cigarette to be mildest, least harmful, easier to start, and easier to quit. In the no-tar condition, for the Korean brands Esse and The One, most respondents evaluated all cigarette types to be the same only for harm, ease of starting, and ease of quitting; for Marlboro, judgments were the same as those in the tar condition except that “easier to quit” was judged to be the same across the three types. Conclusions Banning tar information from cigarette packages may help reduce smokers' misconceptions about low-tar cigarettes. People have inconsistent judgments about differently packaged cigarettes when tar

  14. Volatilisation of aromatic hydrocarbons from soil: part II, fluxes from coal tar contaminated soils residing below the soil surface

    International Nuclear Information System (INIS)

    Lindhardt, B.; Christensen, T.H.

    1996-01-01

    The non-steady-state fluxes of aromatic hydrocarbons from coal tar contaminated soil, placed below a 5 cm deep layer of uncontaminated soil, were measured in the laboratory over a period of 53 days. The contaminated soil originated from a former gasworks site and contained concentrations of 11 selected aromatic hydrocarbons between 50 to 840 μg/cm 3 . Where the microbial activity was inhibited, the fluxes stabilized on a semi-steady-state level for the monocyclic aromatic hydrocarbons, naphthalene and 1-methylnaphthalene after a period of 10-20 days. Fluxes of acenaphthene and fluorene were only measurable in an experiment that utilized a cover soil with a low organic content. The fluxes were predicted by a numerical model assuming that the compounds acted independently of each other and that local equilibrium between the air, water, and sorbed phases existed. The model overestimated the fluxes for all the detected aromatic hydrocarbons by a factor of 1.3 to 12. When the cover soil was adapted to degrade naphthalene, the fluxes of naphthalene and 1-methylnaphthalene approached the detection limit after 5 to 8 days. Thereafter the fluxes of these two compounds were less than predicted by the model employing half-life values of 0.5 and 1 day for naphthalene and 1-methylnaphthalene respectively. 10 refs., 6 figs., 7 tabs

  15. An approach to accidents modeling based on compounds road environments.

    Science.gov (United States)

    Fernandes, Ana; Neves, Jose

    2013-04-01

    The most common approach to study the influence of certain road features on accidents has been the consideration of uniform road segments characterized by a unique feature. However, when an accident is related to the road infrastructure, its cause is usually not a single characteristic but rather a complex combination of several characteristics. The main objective of this paper is to describe a methodology developed in order to consider the road as a complete environment by using compound road environments, overcoming the limitations inherented in considering only uniform road segments. The methodology consists of: dividing a sample of roads into segments; grouping them into quite homogeneous road environments using cluster analysis; and identifying the influence of skid resistance and texture depth on road accidents in each environment by using generalized linear models. The application of this methodology is demonstrated for eight roads. Based on real data from accidents and road characteristics, three compound road environments were established where the pavement surface properties significantly influence the occurrence of accidents. Results have showed clearly that road environments where braking maneuvers are more common or those with small radii of curvature and high speeds require higher skid resistance and texture depth as an important contribution to the accident prevention. Copyright © 2013 Elsevier Ltd. All rights reserved.

  16. Chemical Reductive Transformations of Synthetic Organic Compounds. Probe Compound Studies and Mechanistic Modeling

    National Research Council Canada - National Science Library

    Peyton, Gary

    2001-01-01

    Advanced Oxidation Processes (AOPs) can be used to selectively remove DNT (2,4-dinitrotoluene) from a complex waste stream by adding a precursor compound such as ethanol, which forms a reducing radical upon reaction with hydroxyl radical...

  17. Interaction of arsenic compounds with model phospholipid membranes

    International Nuclear Information System (INIS)

    Jemiola-Rzeminska, Malgorzata; Rivera, Cecilia; Suwalsky, Mario; Strzalka, Kazimierz

    2007-01-01

    This study is part of a project aimed at examining the influence of arsenic on biological membranes. By the use of differential scanning calorimetry (DSC) we have followed the thermotropic behavior of multilamellar vesicles prepared from dimyristoylphosphatidylcholine (DMPC) and dimyristoylphosphatidylethanolamine (DMPE) upon incorporation of sodium arsenite (AsI), disodium arsenate (AsII), cacodylic acid (AsIII) and disodium methyl arsenate (AsIV). The effectiveness of perturbations exerted by various arsenic compounds on thermotropic phase transition was further analysed in terms of thermodynamic parameters: transition temperature, enthalpy and molar heat capacity, determined for lipid/As systems on the basis of heating and cooling scans. It is found that while it only has a slight influence on the thermotropic properties of DMPC, arsenic is able to significantly modify DMPE model membranes

  18. Ultrasound assisted, thermally activated persulfate oxidation of coal tar DNAPLs.

    Science.gov (United States)

    Peng, Libin; Wang, Li; Hu, Xingting; Wu, Peihui; Wang, Xueqing; Huang, Chumei; Wang, Xiangyang; Deng, Dayi

    2016-11-15

    The feasibility of ultrasound assisted, thermally activated persulfate for effective oxidation of twenty 2-6 ringed coal tar PAHs in a biphasic tar/water system and a triphasic tar/soil/water system were investigated and established. The results indicate that ultrasonic assistance, persulfate and elevated reaction temperature are all required to achieve effective oxidation of coal tar PAHs, while the heating needed can be provided by ultrasonic induced heating as well. Further kinetic analysis reveals that the oxidation of individual PAH in the biphasic tar/water system follows the first-order kinetics, and individual PAH oxidation rate is primary determined by the mass transfer coefficients, tar/water interfacial areas, the aqueous solubility of individual PAH and its concentration in coal tar. Based on the kinetic analysis and experimental results, the contributions of ultrasound, persulfate and elevated reaction temperature to PAHs oxidation were characterized, and the effects of ultrasonic intensity and oxidant dosage on PAHs oxidation efficiency were investigated. In addition, the results indicate that individual PAH degradability is closely related to its reactivity as well, and the high reactivity of 4-6 ringed PAHs substantially improves their degradability. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Final Safety Assessment of Coal Tar as Used in Cosmetics

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2008-07-01

    Coal Tar is a semisolid by-product obtained in the destructive distillation of bituminous coal, which functions in cosmetic products as a cosmetic biocide and denaturant-antidandruff agent is also listed as a function, but this is considered an over-the-counter (OTC) drug use. In 2002, Coal Tar was reported to the Food and Drug Administration (FDA) to be used in four formulations, all of which appear to be OTC drug products. Coal Tar is monographed by the FDA as Category I (safe and effective) OTC drug ingredient for use in the treatment of dandruff, seborrhoea, and psoriasis. Coal Tar is absorbed through the skin of animals and humans and is systemically distributed. Although the Cosmetic Ingredient Review (CIR) Expert Panel believes that Coal Tar use as an antidandruff ingredient in OTC drug preparations is adequately addressed by the FDA regulations, the Panel also believes that the appropriate concentration of use of Coal Tar in cosmetic formulations should be that level that does not have a biological effect in the user. Additional data needed to make a safety assessment include product types in which Coal Tar is used (other than as an OTC drug ingredient), use concentrations, and the maximum concentration that does not induce a biological effect in users.

  20. On the (R,s,Q) Inventory Model when Demand is Modelled as a Compound Process

    NARCIS (Netherlands)

    Janssen, F.B.S.L.P.; Heuts, R.M.J.; de Kok, T.

    1996-01-01

    In this paper we present an approximation method to compute the reorder point s in a (R; s; Q) inventory model with a service level restriction, where demand is modelled as a compound Bernoulli process, that is, with a xed probability there is positive demand during a time unit, otherwise demand is

  1. A thermal conductivity model for U-­Si compounds

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Andersson, Anders David Ragnar [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-02-02

    U3Si2 is a candidate for accident tolerant nuclear fuel being developed as an alternative to UO2 in commercial light water reactors (LWRs). One of its main benefits compared to UO2 is higher thermal conductivity that increases with temperature. This increase is contrary to UO2, for which the thermal conductivity decreases with temperature. The reason for the difference is the electronic origin of thermal conductivity in U3Si2, as compared to the phonon mechanism responsible for thermal transport in UO2. The phonon thermal conductivity in UO2 is unusually low for a fluorite oxide due to the strong interaction with the spins in the paramagnetic phase. The thermal conductivity of U3Si2 as well as other U-­Si compounds has been measured experimentally [1-­4]. However, for fuel performance simulations it is also critical to model the degradation of the thermal conductivity due to damage and microstructure evolution caused by the reactor environment (irradiation and high temperature). For UO2 this reduction is substantial and it has been the topic of extensive NEAMS research resulting in several publications [5, 6]. There are no data or models for the evolution of the U3Si2 thermal conductivity under irradiation. We know that the intrinsic thermal conductivities of UO2 (semi-conductor) and U3Si2 (metal) are very different, and we do not necessarily expect the dependence on damage to be the same either, which could present another advantage for the silicide fuel. In this report we summarize the first step in developing a model for the thermal conductivity of U-­Si compounds with the goal of capturing the effect of damage in U3Si2. Next year, we will focus on lattice damage. We will also attempt to assess the impact of fission gas bubbles.

  2. Uncatalysed and potassium-catalysed pyrolysis of the cell-wall constituents of biomass and their model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nowakowski, Daniel J.; Jones, Jenny M. [Energy and Resources Research Institute, School of Process, Environmental and Materials Engineering (SPEME), University of Leeds, Leeds, LS2 9JT (United Kingdom)

    2008-09-15

    is observed for the model compound, chlorogenic acid. The addition of potassium does not produce a dramatic change in the tar product distribution, although its addition to chlorogenic acid promoted the generation of cyclohexane and phenol derivatives. Postulated thermal decomposition schemes for chlorogenic acid are presented. (author)

  3. Potential impacts to perennial springs from tar sand mining, processing, and disposal on the Tavaputs Plateau, Utah, USA

    International Nuclear Information System (INIS)

    Johnson, William P.; Frederick, Logan E.; Millington, Mallory R.; Vala, David; Reese, Barbara K.; Freedman, Dina R.; Stenten, Christina J.; Trauscht, Jacob S.; Tingey, Christopher E.; Kip Solomon, D.; Fernandez, Diego P.; Bowen, Gabriel J.

    2015-01-01

    Similar to fracking, the development of tar sand mining in the U.S. has moved faster than understanding of potential water quality impacts. Potential water quality impacts of tar sand mining, processing, and disposal to springs in canyons incised approximately 200 m into the Tavaputs Plateau, at the Uinta Basin southern rim, Utah, USA, were evaluated by hydrogeochemical sampling to determine potential sources of recharge, and chemical thermodynamic estimations to determine potential changes in transfer of bitumen compounds to water. Because the ridgetops in an area of the Tavaputs Plateau named PR Spring are starting to be developed for their tar sand resource, there is concern for potential hydrologic connection between these ridgetops and perennial springs in adjacent canyons on which depend ranching families, livestock, wildlife and recreationalists. Samples were collected from perennial springs to examine possible progression with elevation of parameters such as temperature, specific conductance, pH, dissolved oxygen, isotopic tracers of phase change, water-rock interaction, and age since recharge. The groundwater age dates indicate that the springs are recharged locally. The progression of hydrogeochemical parameters with elevation, in combination with the relatively short groundwater residence times, indicate that the recharge zone for these springs includes the surrounding ridges, and thereby suggests a hydrologic connection between the mining, processing, disposal area and the springs. Estimations based on chemical thermodynamic approaches indicate that bitumen compounds will have greatly enhanced solubility in water that comes into contact with the residual bitumen–solvent mixture in disposed tailings relative to water that currently comes into contact with natural tar. - Highlights: • The potential water quality impacts of the first US tar sand development are considered. • Analyses of perennial springs in adjacent canyons indicate hydrologic

  4. Potential impacts to perennial springs from tar sand mining, processing, and disposal on the Tavaputs Plateau, Utah, USA

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, William P.; Frederick, Logan E.; Millington, Mallory R. [University of Utah, Department of Geology & Geophysics, Salt lake City, UT 84112 (United States); Vala, David [Murray High School, Murray, UT 84107 (United States); Reese, Barbara K. [Butler Middle School, Cottonwood Heights, UT 84121 (United States); Freedman, Dina R. [Hillside Middle School, Salt Lake City, UT 84108 (United States); Stenten, Christina J. [Draper Park Middle School, Draper, UT 84020 (United States); Trauscht, Jacob S.; Tingey, Christopher E.; Kip Solomon, D.; Fernandez, Diego P.; Bowen, Gabriel J. [University of Utah, Department of Geology & Geophysics, Salt lake City, UT 84112 (United States)

    2015-11-01

    Similar to fracking, the development of tar sand mining in the U.S. has moved faster than understanding of potential water quality impacts. Potential water quality impacts of tar sand mining, processing, and disposal to springs in canyons incised approximately 200 m into the Tavaputs Plateau, at the Uinta Basin southern rim, Utah, USA, were evaluated by hydrogeochemical sampling to determine potential sources of recharge, and chemical thermodynamic estimations to determine potential changes in transfer of bitumen compounds to water. Because the ridgetops in an area of the Tavaputs Plateau named PR Spring are starting to be developed for their tar sand resource, there is concern for potential hydrologic connection between these ridgetops and perennial springs in adjacent canyons on which depend ranching families, livestock, wildlife and recreationalists. Samples were collected from perennial springs to examine possible progression with elevation of parameters such as temperature, specific conductance, pH, dissolved oxygen, isotopic tracers of phase change, water-rock interaction, and age since recharge. The groundwater age dates indicate that the springs are recharged locally. The progression of hydrogeochemical parameters with elevation, in combination with the relatively short groundwater residence times, indicate that the recharge zone for these springs includes the surrounding ridges, and thereby suggests a hydrologic connection between the mining, processing, disposal area and the springs. Estimations based on chemical thermodynamic approaches indicate that bitumen compounds will have greatly enhanced solubility in water that comes into contact with the residual bitumen–solvent mixture in disposed tailings relative to water that currently comes into contact with natural tar. - Highlights: • The potential water quality impacts of the first US tar sand development are considered. • Analyses of perennial springs in adjacent canyons indicate hydrologic

  5. Flash hydropyrolysis of bituminous coal . III. Research on flash hydropyrolysis tar

    Energy Technology Data Exchange (ETDEWEB)

    Dong, M.; Zhu, Z.; He, Y.; Ding, N.; Tang, L. [East China University of Science and Technology, Shanghai (China)

    2000-02-01

    Tar sample obtained by flash hydropyrolysis (FHP) from Dongshen coal at high pressure entrained reactor was investigated. An effect of flash hydropyrolysis temperature on the main components in tar was studied and the quality of the tar was compared with high temperature coke oven tar. The results showed that: the yields of liquid hydrocarbon in FHP tar were more than 15%, which is twofold of that in coke oven tar; the FHP tar has high oil fraction and low pitch; high phenol components and pure condensed polycyclic aromatic hydrocarbon, and low aliphatic hydrocarbon. The components of the FHP tar were simpler than that of high temperature coke oven tar. Therefore, FHP has improved the quantity and quality of tar. 11 refs., 3 figs., 5 tabs.

  6. Source identification of a tar residue from Mumbai Beach

    Digital Repository Service at National Institute of Oceanography (India)

    Kadam, A; Rokade, M.A

    A tar residue from Mumbai Beach, Maharashtra, India was matched with the suspected source sample from a tanker using UV, IR and GLC techniques. Negligible differences in several ratios of UV absorbances and ratios of infrared transmittances...

  7. Production of oil from Intermountain West tar sands deposits

    Energy Technology Data Exchange (ETDEWEB)

    Glassett, J.M.; Glassett, J.A.

    1976-03-01

    Six tar sand deposits in the Intermountain West, each containing more than one billion barrels of oil in place, are identified. All of these deposits are in eastern Utah and contain a total of twenty-eight billion barrels of oil. The names of the six deposits arranged in descending order of desirability for large-scale surface-mining oil recovery operations are as follows: Sunnyside, Tar Sand Triangle, Asphalt Ridge, P.R. Spring, Circle Cliffs, and Hill Creek. An overview of each deposit is presented including geology, surface-mining variables, chemical processing variables, environmental aspects, and economics. A comparison of Utah tar sands and Athabasca, Alberta, Canada tar sands is also presented.

  8. Synthesis of model compounds derived from natural clerodane insect antifeedants

    NARCIS (Netherlands)

    Klein Gebbinck, E.A.

    1999-01-01

    Insect antifeedants are compounds with the ability to reduce or inhibit insect feeding without directly killing the insect. Such compounds offer a number of properties that are highly desirable in environmentally friendly crop protection agents. Although the principle of insect control

  9. Creating and maintaining a gas cap in tar sands formations

    Science.gov (United States)

    Vinegar, Harold J.; Karanikas, John Michael; Dinkoruk, Deniz Sumnu; Wellington, Scott Lee

    2010-03-16

    Methods for treating a tar sands formation are disclosed herein. Methods for treating a tar sands formation may include providing heat to at least part of a hydrocarbon layer in the formation from one or more heaters located in the formation. Pressure may be allowed to increase in an upper portion of the formation to provide a gas cap in the upper portion. At least some hydrocarbons are produced from a lower portion of the formation.

  10. Extraction of low-temperature tar by various alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Hara, N; Osawa, M; Azuma, H

    1948-01-01

    MeOH was the most effective of the alcohols tested (MeOH to pentanol) in extracting acid components from low-temperature tar. The optimum concentrations of MeOH were 70 to 80% for 1 extraction and 70 to 75% for repeated or continuous extractions when the solvent-tar ratio was 1:1. By 2 to 3 extractions neutral oil could be separated in about 90% yield including > 3% acidic oil.

  11. Corrosion test by low-temperature coal tar

    Energy Technology Data Exchange (ETDEWEB)

    Ando, S; Yamamoto, S

    1952-01-01

    Corrosive actions of various fractions of low-temperature coal tar against mild steel or Cr 13-steel were compared at their boiling states. Corrosions became severe when the boiling points exceeded 240/sup 0/. The acidic fractions were more corrosive. In all instances, corrosion was excessive at the beginning of immersion testing and then gradually became mild; boiling accelerated the corrosion. Cr 13-steel was corrosion-resistant to low-temperature coal-tar fractions.

  12. Guideline for Sampling and Analysis of Tar and Particles in Biomass Producer Gases. Version 3.3

    Energy Technology Data Exchange (ETDEWEB)

    Neeft, J.P.A.; Knoef, H.A.M.; Zielke, U.; Sjoestroem, K.; Hasler, P.; Simell, P.A.; Dorrington, M.A.; Thomas, L.; Abatzoglou, N.; Deutch, S.; Greil, C.; Buffinga, G.J.; Brage, C.; Suomalainen, M.

    2002-07-01

    This Guideline provides a set of procedures for the measurement of organic contaminants and particles in producer gases from biomass gasifiers. The procedures are designed to cover different gasifier types (updraft or downdraft fixed bed or fluidised bed gasifiers), operating conditions (0 - 900C and 0.6-60 bars) and concentration ranges (1 mg/m{sub n}{sup 3} to 300 g/m{sub n}{sup 3}). The Guideline describes a modular sampling train, and a set of procedures, which include: planning and preparation of the sampling, sampling and post-sampling, analysis, calculations, error analysis and reporting. The modular sampling train consists of 4 modules. Module 1 is a preconditioning module for isokinetic sampling and gas cooling. Module 2 is a particle collection module including a heated filter. Module 3 is a tar collection module with a gas quench (optionally by circulating a liquid), impinger bottles and a backup adsorber. Module 4 is a volume-sampling module consisting of a pump, a rotameter, a gas flow meter and pressure and temperature indicators. The equipment and materials that are required for procuring this modular sampling train are given in the Guideline. The sampling procedures consist of a description for isokinetic sampling, a leakage test prior to sampling, the actual sampling and its duration, how the equipment is cleaned after the sampling, and how the samples are prepared and stored. Analysis of the samples is performed via three procedures. Prior to these procedures, the sample is prepared by Soxhlet extraction of the tars on the particle filter and by collection of all tars in one bulk solution. The first procedure describes the weighing of the particle filter to obtain the concentration of particles in the biomass producer gas. The bulk tar solution is used for two purposes: for determination of gravimetric tar and for analysis of individual compounds. The second procedure describes how to determine the gravimetric tar mass from the bulk solution. The

  13. Coal-tar-based pavement sealcoat and PAHs: implications for the environment, human health, and stormwater management.

    Science.gov (United States)

    Mahler, Barbara J; Metre, Peter C Van; Crane, Judy L; Watts, Alison W; Scoggins, Mateo; Williams, E Spencer

    2012-03-20

    Coal-tar-based sealcoat products, widely used in the central and eastern U.S. on parking lots, driveways, and even playgrounds, are typically 20-35% coal-tar pitch, a known human carcinogen that contains about 200 polycyclic aromatic hydrocarbon (PAH) compounds. Research continues to identify environmental compartments-including stormwater runoff, lake sediment, soil, house dust, and most recently, air-contaminated by PAHs from coal-tar-based sealcoat and to demonstrate potential risks to biological communities and human health. In many cases, the levels of contamination associated with sealed pavement are striking relative to levels near unsealed pavement: PAH concentrations in air over pavement with freshly applied coal-tar-based sealcoat, for example, were hundreds to thousands of times higher than those in air over unsealed pavement. Even a small amount of sealcoated pavement can be the dominant source of PAHs to sediment in stormwater-retention ponds; proper disposal of such PAH-contaminated sediment can be extremely costly. Several local governments, the District of Columbia, and the State of Washington have banned use of these products, and several national and regional hardware and home-improvement retailers have voluntarily ceased selling them.

  14. Coal-tar-based pavement sealcoat and PAHs: implications for the environment, human health, and stormwater management

    Science.gov (United States)

    Mahler, Barbara J.; Van Metre, Peter C.; Crane, Judy L.; Watts, Alison W.; Scoggins, Mateo; Williams, E. Spencer

    2012-01-01

    Coal-tar-based sealcoat products, widely used in the central and eastern U.S. on parking lots, driveways, and even playgrounds, are typically 20-35% coal-tar pitch, a known human carcinogen that contains about 200 polycyclic aromatic hydrocarbon (PAH) compounds. Research continues to identify environmental compartments—including stormwater runoff, lake sediment, soil, house dust, and most recently, air—contaminated by PAHs from coal-tar-based sealcoat and to demonstrate potential risks to biological communities and human health. In many cases, the levels of contamination associated with sealed pavement are striking relative to levels near unsealed pavement: PAH concentrations in air over pavement with freshly applied coal-tar-based sealcoat, for example, were hundreds to thousands of times higher than those in air over unsealed pavement. Even a small amount of sealcoated pavement can be the dominant source of PAHs to sediment in stormwater-retention ponds; proper disposal of such PAH-contaminated sediment can be extremely costly. Several local governments, the District of Columbia, and the State of Washington have banned use of these products, and several national and regional hardware and home-improvement retailers have voluntarily ceased selling them.

  15. Coal-tar based pavement sealant toxicity to freshwater macroinvertebrates

    International Nuclear Information System (INIS)

    Bryer, Pamela J.; Scoggins, Mateo; McClintock, Nancy L.

    2010-01-01

    Non-point-source pollution is a major source of ecological impairment in urban stream systems. Recent work suggests that coal-tar pavement sealants, used extensively to protect parking areas, may be contributing a large portion of the polycyclic aromatic hydrocarbon (PAH) loading seen in urban stream sediments. The hypothesis that dried coal-tar pavement sealant flake could alter the macroinvertebrate communities native to streams in Austin, TX was tested using a controlled outdoor laboratory type approach. The treatment groups were: control, low, medium, and high with total PAH concentrations (TPAH = sum of 16 EPA priority pollutant PAHs) of 0.1, 7.5, 18.4, and 300 mg/kg respectively. The low, medium, and high treatments were created via the addition of dried coal-tar pavement sealant to a sterile soil. At the start of the 24-day exposure, sediment from a minimally impacted local reference site containing a community of live sediment-dwelling benthic macroinvertebrates was added to each replicate. An exposure-dependent response was found for several stream health measures and for several individual taxa. There were community differences in abundance (P = 0.0004) and richness (P < 0.0001) between treatments in addition to specific taxa responses, displaying a clear negative relationship with the amount of coal-tar sealant flake. These results support the hypothesis that coal-tar pavement sealants contain bioavailable PAHs that may harm aquatic environments. - Coal-tar pavement sealants degrade stream invertebrate communities.

  16. Athabasca tar sand reservoir properties derived from cores and logs

    International Nuclear Information System (INIS)

    Woodhouse, R.

    1976-01-01

    Log interpretation parameters for the Athabasca Tar Sand Lease No. 24 have been determined by careful correlation with Dean and Stark core analysis data. Significant expansion of Athabasca cores occurs as overburden pressure is removed. In the more shaly sands the core analysis procedures remove adsorbed water from the clays leading to further overestimation of porosity and free water volume. Log interpretation parameters (R/sub w/ = 0.5 ohm . m and m = n = 1.5) were defined by correlation with the weight of tar as a fraction of the weight of rock solids (grain or dry weight fraction of tar). This quantity is independent of the water content of the cores, whereas porosity and the weight of tar as a fraction of the bulk weight of fluids plus solids (bulk weight fraction) are both dependent on water content. Charts are provided for the conversion of bulk weight fraction of fluids to porosity; grain weight fraction of fluids to porosity; log derived porosity and core grain weight tar to water saturation. Example results show that the core analysis grain weight fraction of tar is adequately matched by the log analyses. The log results provide a better representation of the reservoir fluid volumes than the core analysis data

  17. Infrared absorption characteristics of hydroxyl groups in coal tars

    Energy Technology Data Exchange (ETDEWEB)

    Cannon, S A; Chu, C J; Hange, R H; Margrave, J L

    1987-01-01

    Tar evolution was observed over a temperature range of 150-600 C for four coals. Pittsburgh bituminous, Illinois No.6, Rawhide subbituminous, and Texas lignite. Isolation of the evolved tars in a nitrogen matrix at 15 degrees K produced better resolved infrared spectra than those in a coal matrix, thus enhancing structural characterization of the tar molecules. Two distinct hydroxyl functional groups in the tar molecules free of hydrogen bonding were identified for the first time without interference from H/sub 2/O absorptions. These absorptions at 3626.5 cm/sup -1/ have been assigned to phenolic hydroxyls. It is suggested that carboxylic and aliphatic hydroxyl groups do not survive the vaporization process. Tars from Illinois No.6 were found to contain the largest amount of phenolic hydroxyl; Pittsburgh No. 8 tar contains approximately half of that for Illinois No.6 while Rawhide and Texas lignite contain much less phenolic than either of the other coals. 10 references, 6 figures, 1 table.

  18. Catalytic destruction of tar in biomass derived producer gas

    International Nuclear Information System (INIS)

    Zhang Ruiqin; Brown, Robert C.; Suby, Andrew; Cummer, Keith

    2004-01-01

    The purpose of this study is to investigate catalytic destruction of tar formed during gasification of biomass, with the goal of improving the quality of the producer gas. This work focuses on nickel based catalysts treated with alkali in an effort to promote steam gasification of the coke that deposits on catalyst surfaces. A tar conversion system consisting of a guard bed and catalytic reactor was designed to treat the producer gas from an air blown, fluidized bed biomass gasifier. The guard bed used dolomite to crack the heavy tars. The catalytic reactor was used to evaluate three commercial steam reforming catalysts. These were the ICI46-1 catalyst from Imperial Chemical Industry and Z409 and RZ409 catalysts from Qilu Petrochemical Corp. in China. A 0.5-3 l/min slipstream from a 5 tpd biomass gasifier was used to test the tar conversion system. Gas and tar were sampled before and after the tar conversion system to evaluate the effectiveness of the system. Changes in gas composition as functions of catalytic bed temperature, space velocity and steam/TOC (total organic carbon) ratio are presented. Structural changes in the catalysts during the tests are also described

  19. Low-temperature tar and oil: properties and applications

    Energy Technology Data Exchange (ETDEWEB)

    Heinze, R

    1942-01-01

    In Germany the value of low-temperature tar is largely dependent on its fuel fractions; these vary with the coal and the method of carbonization (external heating or recirculated gases). Brown-coal tars can be processed by distillation, cracking under pressure, hydrogenation under pressure (largest volume of tar is processed by this method) and by solvent extraction, with EtOH, SO/sub 2/, or phenol. Each of these processes is discussed in detail. In the pressure-hydrogenation process, 1.25 kilogram of brown-coal tar yields approximately 1 kilogram of gasoline with an octane number of 60 to 70. Low-temperature tars from bituminous coals can be hydrogenated readily but are not well adapted to solvent extraction. Attempts should be made to produce tar approximating the desired characteristics for fuel directly from the carbonizing apparatus. For laboratory carbonization tests, an approximation to results secured by externally heated retorts is secured by using an insert consisting of a series of perforated trays in the 200-gram Fischer aluminum retort; this reduces the capacity to 100 gram. Fractional condensation is used to separate heavy oil, middle oil, and liquor; low-boiling products are condensed at -20/sup 0/ by solid CO/sub 2/.

  20. Extraction of tar acids with methanol from low-temperature tar

    Energy Technology Data Exchange (ETDEWEB)

    Funasaka, W; Yokogawa, C; Suga, S

    1948-01-01

    From 20 grams crude middle oil, boiling at 200/sup 0/ to 250/sup 0/, acid content 40%, tar acids were extracted at 20/sup 0/ to 30/sup 0/ with MeOH for comparison with EtOH, NMe/sub 3/, and ethylene glycol. When 80% MeOH is used, the oil extracted amounts to 61%, including 9% acids, if the ratio of crude oil and solvent is kept at 1:2. EtOH is inferior to MeOH. The properties of the crude oil and the purified oil extracted with 80% MeOH are described.

  1. Pan Am tar sand bid revealed

    Energy Technology Data Exchange (ETDEWEB)

    Gray, E

    1968-12-16

    Muskeg Oil Co., wholly-owned subsidiary of Pan American Canada Oil Co. Ltd., hopes to expand its proposed initial 8,000 bpd in situ Athabasca tar sand production scheme to an ultimate rate of 60,000 bpd. The Muskeg recovery process involves an in situ combustion technique developed by Pan American and applied successfully in experimental work in the Athabasca area. The underground burning process develops heat in the formation, reduces crude bitumen viscosity, and displaces the bitumen to the producing wells. Core analyses have been used to determine bitumen in place, wherever possible. Values for uncored wells were based on logs, through development of an empirical relationship between formation resistivity measured by focused logging devices and bitumen content determined by core analysis. The proposed recovery process is a 10-acre well spacing with 9-spot configuration. The McMurray Formation will be fractured hydraulically and preheated by a combustion process. The bitumen will be recovered by a combustion displacement process utilizing air and water.

  2. The use of quantum chemically derived descriptors for QSAR modelling of reductive dehalogenation of aromatic compounds

    NARCIS (Netherlands)

    Rorije E; Richter J; Peijnenburg WJGM; ECO; IHE Delft

    1994-01-01

    In this study, quantum-chemically derived parameters are developed for a limited number of halogenated aromatic compounds to model the anaerobic reductive dehalogenation reaction rate constants of these compounds. It is shown that due to the heterogeneity of the set of compounds used, no single

  3. Structure and Mechanism of Staphylococcus aureus TarS, the Wall Teichoic Acid β-glycosyltransferase Involved in Methicillin Resistance.

    Directory of Open Access Journals (Sweden)

    Solmaz Sobhanifar

    2016-12-01

    Full Text Available In recent years, there has been a growing interest in teichoic acids as targets for antibiotic drug design against major clinical pathogens such as Staphylococcus aureus, reflecting the disquieting increase in antibiotic resistance and the historical success of bacterial cell wall components as drug targets. It is now becoming clear that β-O-GlcNAcylation of S. aureus wall teichoic acids plays a major role in both pathogenicity and antibiotic resistance. Here we present the first structure of S. aureus TarS, the enzyme responsible for polyribitol phosphate β-O-GlcNAcylation. Using a divide and conquer strategy, we obtained crystal structures of various TarS constructs, mapping high resolution overlapping N-terminal and C-terminal structures onto a lower resolution full-length structure that resulted in a high resolution view of the entire enzyme. Using the N-terminal structure that encapsulates the catalytic domain, we furthermore captured several snapshots of TarS, including the native structure, the UDP-GlcNAc donor complex, and the UDP product complex. These structures along with structure-guided mutants allowed us to elucidate various catalytic features and identify key active site residues and catalytic loop rearrangements that provide a valuable platform for anti-MRSA drug design. We furthermore observed for the first time the presence of a trimerization domain composed of stacked carbohydrate binding modules, commonly observed in starch active enzymes, but adapted here for a poly sugar-phosphate glycosyltransferase.

  4. Photosynthetic pigments and model compounds studied by pulse radiolysis

    International Nuclear Information System (INIS)

    Jensen, N.-H.

    1980-05-01

    The photosynthetic pigments chlorophyll a and alltrans-β-carotene as well as the quinone model compound duroquinone have been studied in solution by pulse radiolysis combined with time-resolved absorption and resonance Raman spectroscopy. In benzene solution the excited triplet states of the subtrates were produced either directly in the case of duroquinone or by triplet energy transfer from triplet naphthalene in the case of chlorophyll a and β-carotene. All relevant rate constants involved in the reactions of the excited states in benzene were determined, including i) the rate constants for energy transfer from triplet naphthalene to chlorophyll a with k = (3.6+-0.6).10 9 M -1 s -1 and β-carotene with k = (10.7+-1.2).10 9 M -1 s -1 ii) the rate constants of triplet annihilation of chlorophyll a: (1.4+-0.3).10 9 M -1 s -1 , β-carotene: (3.6+-0.4).10 9 M -1 s -1 , duroquinone: (3.0+-0.6).10 9 M -1 s -1 . For β-carotene it is suggested that triplet-triplet annihilation produces the optically forbidden excited 1 Asub(g) state. The first-order components of the triplet decays were strongly dependent upon irradiation dose in the case of naphthalene and duroquinone but apparently only slightly dependent on or independent or irradiation dose in the case of chlorophyll a and β-carotene. Apparent bimolecular rate constants for triplet quenching by radiolytically produced free radicals are determined. The triplet state of duroquinone is quenched by ground state duroquinone with a rate constant of (1.2+-0.3).10 6 M -1 s -1 . The excited triplet state of all-trans-β-carotene has been investigated by time-resolved resonance Raman spectroscopy. Six transient Raman bands at 965 cm -1 , 1009 cm -1 , 1125 cm -1 , 1188 cm -1 , 1236 cm -1 and 1496 cm -1 were observed. The spectra suggest that the C = C band order is decreased and that the molecule may be substantially twisted, presumably at the 15,15 1 band, in the triplet state. The radical anion of chlorophyll a with

  5. Coal-tar based pavement sealant toxicity to freshwater macroinvertebrates

    Energy Technology Data Exchange (ETDEWEB)

    Bryer, P.J.; Scoggins, M.; McClintock, N.L. [Lamar University, Beaumont, TX (United States). Dept. of Biology

    2010-05-15

    Non-point-source pollution is a major source of ecological impairment in urban stream systems. Recent work suggests that coal-tar pavement sealants, used extensively to protect parking areas, may be contributing a large portion of the polycyclic aromatic hydrocarbon (PAH) loading seen in urban stream sediments. The hypothesis that dried coal-tar pavement sealant flake could alter the macroinvertebrate communities native to streams in Austin, TX was tested using a controlled outdoor laboratory type approach. The treatment groups were: control, low, medium, and high with total PAH concentrations (TPAH = sum of 16 EPA priority pollutant PAHs) of 0.1, 7.5, 18.4, & 300 mg/kg respectively. The low, medium, and high treatments were created via the addition of dried coal-tar pavement sealant to a sterile soil. At the start of the 24-day exposure, sediment from a minimally impacted local reference site containing a community of live sediment-dwelling benthic macroinvertebrates was added to each replicate. An exposure-dependent response was found for several stream health measures and for several individual taxa. There were community differences in abundance (P = 0.0004) and richness (P < 0.0001) between treatments in addition to specific taxa responses, displaying a clear negative relationship with the amount of coal-tar sealant flake. These results support the hypothesis that coal-tar pavement sealants contain bioavailable PAHs that may harm aquatic environments.

  6. Testing antidepressant compounds in a neuropsychological model of drug action

    NARCIS (Netherlands)

    Cerit, Hilal

    2015-01-01

    Although much research effort has been put into the development of new antidepressant drugs, the process of developing a drug often fails at the stage of large randomized controlled trials (RCTs) in which an initially promising compound appears to lack efficacy after all. Several experimental

  7. Evidence for dynamic behavior of O2 in oxy-heme model compounds

    International Nuclear Information System (INIS)

    Montiel-Montoya, R.; Bill, E.; Trautwein, A.X.; Winkler, H.

    1986-01-01

    The authors have performed Moessbauer studies on several oxy-heme model compounds, and for two of them they have also derived the three dimensional structure from X-ray studies. The X-ray structure analysis of these model compounds provides the information that O 2 occupies three different sites in one and only two sites in the other. (Auth.)

  8. Chemical Reductive Transformations of Synthetic Organic Compounds. Probe Compound Studies and Mechanistic Modeling

    National Research Council Canada - National Science Library

    Peyton, Gary

    2001-01-01

    .... A kinetic model that was previously developed to describe the results of batch AOP treatment by H2O2/UV did not give satisfactory predictive results obtained when extended to describe flow experiments...

  9. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    Directory of Open Access Journals (Sweden)

    Krivtcova Nadezhda

    2016-01-01

    Full Text Available Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

  10. Modelling of the Kinetics of Sulfure Compounds in Desulfurisation Processes Based on Industry Data of Plant

    OpenAIRE

    Krivtsova, Nadezhda Igorevna; Tataurshikov, A.; Kotkova, Elena

    2016-01-01

    Modelling of sulfur compounds kinetics was performed, including kinetics of benzothiophene and dibenzothiophene homologues. Modelling is based on experimental data obtained from monitoring of industrial hydrotreating set. Obtained results include kinetic parameters of reactions.

  11. Coal tar phototoxicity: characteristics of the smarting reaction

    International Nuclear Information System (INIS)

    Diette, K.M.; Gange, R.W.; Stern, R.S.; Arndt, K.A.; Parrish, J.A.

    1985-01-01

    The properties and ultraviolet exposure parameters of tar smarts were examined in an effort to elucidate the mechanisms involved. It was show that irradiation with 1 minimal smarting dose (MSD) of UVA immediately following tar removal lowered the MSD for 6 h, demonstrated by subsequent challenge with UVA. Following 3 MSDs this memory effect was demonstrable for 24 h. The smarting reaction was area dependent--smaller areas of exposure require higher doses of UVA to induce smarting. Smarting followed reciprocity over a 6-fold range of irradiances (2-12.5 mW/cm2) but higher irradiances required higher doses of UVA, perhaps due to a delay in the recognition and reporting of smarting. The smarting reaction and delayed erythema due to UVA and tar were equally blocked by sunscreen

  12. Misfit Layer Compounds and Ferecrystals: Model Systems for Thermoelectric Nanocomposites

    Directory of Open Access Journals (Sweden)

    Devin R. Merrill

    2015-04-01

    Full Text Available A basic summary of thermoelectric principles is presented in a historical context, following the evolution of the field from initial discovery to modern day high-zT materials. A specific focus is placed on nanocomposite materials as a means to solve the challenges presented by the contradictory material requirements necessary for efficient thermal energy harvest. Misfit layer compounds are highlighted as an example of a highly ordered anisotropic nanocomposite system. Their layered structure provides the opportunity to use multiple constituents for improved thermoelectric performance, through both enhanced phonon scattering at interfaces and through electronic interactions between the constituents. Recently, a class of metastable, turbostratically-disordered misfit layer compounds has been synthesized using a kinetically controlled approach with low reaction temperatures. The kinetically stabilized structures can be prepared with a variety of constituent ratios and layering schemes, providing an avenue to systematically understand structure-function relationships not possible in the thermodynamic compounds. We summarize the work that has been done to date on these materials. The observed turbostratic disorder has been shown to result in extremely low cross plane thermal conductivity and in plane thermal conductivities that are also very small, suggesting the structural motif could be attractive as thermoelectric materials if the power factor could be improved. The first 10 compounds in the [(PbSe1+δ]m(TiSe2n family (m, n ≤ 3 are reported as a case study. As n increases, the magnitude of the Seebeck coefficient is significantly increased without a simultaneous decrease in the in-plane electrical conductivity, resulting in an improved thermoelectric power factor.

  13. Energetics of hydrogen bonding in proteins: a model compound study.

    OpenAIRE

    Habermann, S. M.; Murphy, K. P.

    1996-01-01

    Differences in the energetics of amide-amide and amide-hydroxyl hydrogen bonds in proteins have been explored from the effect of hydroxyl groups on the structure and dissolution energetics of a series of crystalline cyclic dipeptides. The calorimetrically determined energetics are interpreted in light of the crystal structures of the studied compounds. Our results indicate that the amide-amide and amide-hydroxyl hydrogen bonds both provide considerable enthalpic stability, but that the amide-...

  14. Pyrolysis mechanism of microalgae Nannochloropsis sp. based on model compounds and their interaction

    International Nuclear Information System (INIS)

    Wang, Xin; Tang, Xiaohan; Yang, Xiaoyi

    2017-01-01

    Highlights: • Pyrolysis experiments were conducted by model compounds of algal components. • Interaction affected little bio-crude yield of model compounds co-pyrolysis. • Some interaction pathways between microalgae components were recommended. • N-heterocyclic compounds were further pyrolysis products of Maillard reaction products. • Surfactant synthesis (lipid-amino acids and lipid-glucose) between algal components. - Abstract: Pyrolysis is one of important pathways to convert microalgae to liquid biofuels and key components of microalgae have different chemical composition and structure, which provides a barrier for large-scale microalgae-based liquid biofuel application. Microalgae component pyrolysis mechanism should be researched to optimal pyrolysis process parameters. In this study, single pyrolysis and co-pyrolysis of microalgal components (model compounds castor oil, soybean protein and glucose) were conducted to reveal interaction between them by thermogrametric analysis and bio-crude evaluation. Castor oil (model compound of lipid) has higher pyrolysis temperature than other model compounds and has the maximum contribution to bio-crude formation. Bio-crude from soybean protein has higher N-heterocyclic compounds as well as phenols, which could be important aromatic hydrocarbon source during biorefineries and alternative aviation biofuel production. Potential interaction pathways based on model compounds are recommended including further decomposition of Maillard reaction products (MRPs) and surfactant synthesis, which indicate that glucose played an important role on pyrolysis of microalgal protein and lipid components. The results should provide necessary information for microalgae pyrolysis process optimization and large-scale pyrolysis reactor design.

  15. Carbon materials for syngas conditioning and tar removal

    International Nuclear Information System (INIS)

    Romero Millán, Lina María; Sierra Vargas, Fabio Emiro

    2017-01-01

    Within the framework of worldwide energy context, the development of technologies and processes for energy production form renewable and non-conventional sources is a priority. According to this, gasification is an interesting process that converts different kinds of organic materials in fuel gases. The main issue related with this process is the fact that the producer gas contains also contaminants and tars that are undesirable for the gas usage in internal combustion motors or turbines. The present work aims to analyze the actual state of the existing methods to remove tars form gasification fuel gases, emphasizing the use of different kinds of carbon materials. (author)

  16. Luminescence monitoring of oil or tar contamination for industrial hygiene

    International Nuclear Information System (INIS)

    Gammage, R.B.; Vo-Dinh, T.

    1980-01-01

    Synfuel plants produce potentially carcinogenic oils and tars. Exposure of workers to these tars and oils is difficult to avoid completely and occurs via direct contact with dirty surfaces or condensation of escaped fumes onto or within the body. Surface skin, measurements are made directly with a near-ultraviolet luminoscope employing a fiber optics lightguide and a stethoscopic cap pressed against the skin. This instrument is especially suitable for measuring ng to μg/cm 2 amounts of residual contamination remaining on the surface of the skin after washing. To minimize the potential for carcinogenicity, the excitating ultraviolet light intensity is only 1/100th that of sunlight. (orig.)

  17. Investigating actinide compounds within a hybrid MCSCF-DFT model

    International Nuclear Information System (INIS)

    Fromager, E.; Jensen, H.J.A.; Wahlin, P.; Real, F.; Wahlgren, U.

    2007-01-01

    Complete text of publication follows: Investigations of actinide chemistry with quantum chemical methods still remain a complicated task since it requires an accurate and efficient treatment of the environment (crystal or solvent) as well as relativistic and electron correlation effects. Concerning the latter, the current correlated methods, based on either Density-Functional Theory (DFT) or Wave-Function Theory (WFT), have their advantages and drawbacks. On the one hand, Kohn-Sham DFT (KS-DFT) calculates the dynamic correlation quite accurately and at a fairly low computational cost. However, it does not treat adequately the static correlation, which is significant in some actinide compounds because of the near-degeneracy of the 5f orbitals: a first example is the bent geometry obtained in KS-DFT(B3LYP) for the neptunyl ion NpO 2 3+ , which is found to be linear within a Multi-Configurational Self-Consistent Field (MCSCF) model [1]. A second one is the stable and bent geometry obtained in KS-DFT(B3LYP) for the plutonyl ion PuO 2 4+ , which disintegrates at the MCSCF level [1]. On the other hand, WFT can describe the static correlation, using for example a MCSCF model, but then an important part of the dynamic correlation has to be neglected. This can be recovered with perturbation-theory based methods like for example CASPT2 or NEVPT2, but their computational complexity prevents large scale calculations. It is therefore of great interest to develop a hybrid MCSCF-DFT model which combines the best of both WFT and DFT approaches. The merge of WFT and DFT can be achieved by splitting the two-electron interaction into long-range and short-range parts [2]. The long-range part is then treated by WFT and the short-range part by DFT. We use the so-called 'erf' long-range interaction erf(μr 12 )/r 12 , which is based on the standard error function, and where μ is a free parameter which controls the long/short-range decomposition. The newly proposed recipe for the

  18. Material Properties and Characteristics for Development of an Expert System for Coal-Tar Sealers

    National Research Council Canada - National Science Library

    Shoenberger, James

    2001-01-01

    .... Several coal-tar mixtures that varied with source of the coal-tar emulsion, amount of aggregate, and amount of polymer used in the mixtures were evaluated for their field performance and material properties...

  19. 179 Extraction of Coal-tar Pitch by Supercritical Carbon Dioxide ...

    African Journals Online (AJOL)

    Meyer

    Several extractions of coal-tar pitch were performed using supercritical fluid ..... pressure and temperature, unlike exhaustive extraction, which involves a change in ... mechanism that is operative on extracting coal-tar pitch components with.

  20. Investigation of sulfur-polycyclic aromatic hydrocarbon in coal derived tars of pyrolysis and hydropyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Chen, H.; Li, B.; Zhang, B. [Chinese Academy of Sciences, Taiyuan (China). State Key Laboratory of Coal Conversion

    1999-07-01

    A study was undertaken to characterize sulphur forms in coal derived tars from pyrolysis and hydropyrolysis of bituminous coal and lignite. The pyrolysis tars were analyzed for content of polycyclic aromatic sulfur hydrocarbons (PASH). 5 refs., 3 figs., 3 tabs.

  1. Properties of gasification-derived char and its utilization for catalytic tar reforming

    Science.gov (United States)

    Qian, Kezhen

    Char is a low-value byproduct of biomass gasification and pyrolysis with many potential applications, such as soil amendment and the synthesis of activated carbon. The overall goal of the proposed research was to develop novel methods to use char derived from gasification for high-value applications in syngas conditioning. The first objective was to investigate effects of gasification condition and feedstock on properties of char derived from fluidized bed gasification. Results show that the surface areas of most of the char were 1--10 m 2/g and increased as the equivalence ratio increased. Char moisture and fixed carbon contents decreased while ash content increased as equivalence ratio increased. The next objective was to study the properties of sorghum and red cedar char derived from downdraft gasifier. Red cedar char contained more aliphatic carbon and o-alkyl carbon than sorghum char. Char derived from downdraft gasification had higher heating values and lower ash contents than char derived from fluidized bed gasification. The gasification reactivity of red cedar char was higher than that of sorghum char. Then, red cedar char based catalysts were developed with different preparation method to reform toluene and naphthalene as model tars. The catalyst prepared with nickel nitrate was found to be better than that with nickel acetate. The nickel particle size of catalyst impregnated with nickel nitrate was smaller than that of catalyst impregnated with nickel acetate. The particle size of catalyst impregnated with nickel acetate decreased by hydrazine reduction. The catalyst impregnated with nickel nitrate had the highest toluene removal efficiency, which was 70%--100% at 600--800 °C. The presence of naphthalene in tar reduced the catalyst efficiency. The toluene conversion was 36--99% and the naphthalene conversion was 37%--93% at 700--900 °C. Finally, effects of atmosphere and pressure on catalytic reforming of lignin-derived tars over the developed catalyst

  2. In situ recovery of oil from Utah tar sand: a summary of tar sand research at the Laramie Energy Technology Center

    Energy Technology Data Exchange (ETDEWEB)

    Marchant, L.C.; Westhoff, J.D.

    1985-10-01

    This report describes work done by the United States Department of Energy's Laramie Energy Technology Center from 1971 through 1982 to develop technology for future recovery of oil from US tar sands. Work was concentrated on major US tar sand deposits that are found in Utah. Major objectives of the program were as follows: determine the feasibility of in situ recovery methods applied to tar sand deposits; and establish a system for classifying tar sand deposits relative to those characteristics that would affect the design and operation of various in situ recovery processes. Contents of this report include: (1) characterization of Utah tar sand; (2) laboratory extraction studies relative to Utah tar sand in situ methods; (3) geological site evaluation; (4) environmental assessments and water availability; (5) reverse combustion field experiment, TS-1C; (6) a reverse combustion followed by forward combustion field experiment, TS-2C; (7) tar sand permeability enhancement studies; (8) two-well steam injection experiment; (9) in situ steam-flood experiment, TS-1S; (10) design of a tar sand field experiment for air-stream co-injection, TS-4; (11) wastewater treatment and oil analyses; (12) economic evaluation of an in situ tar sand recovery process; and (13) appendix I (extraction studies involving Utah tar sands, surface methods). 70 figs., 68 tabs.

  3. Recovery of very viscous lubricating oils from shale-tar, etc

    Energy Technology Data Exchange (ETDEWEB)

    Erdmann, E

    1918-01-22

    A process is disclosed for the recovery of very viscous lubricating oils from brown-coal tar and shale tar, consisting in driving off from the crude tar or the tar freed from volatile constituents after removal of paraffin by precipitation with a volatile solvent such as acetone or one of its homologs, the light oils more or less completely with superheated steam from about 200 to 250/sup 0/C without any outside heating over a free flame.

  4. Selecting a Response in Task Switching: Testing a Model of Compound Cue Retrieval

    Science.gov (United States)

    Schneider, Darryl W.; Logan, Gordon D.

    2009-01-01

    How can a task-appropriate response be selected for an ambiguous target stimulus in task-switching situations? One answer is to use compound cue retrieval, whereby stimuli serve as joint retrieval cues to select a response from long-term memory. In the present study, the authors tested how well a model of compound cue retrieval could account for a…

  5. Development of corresponding states model for estimation of the surface tension of chemical compounds

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Eslamimanesh, Ali; Sattari, Mehdi

    2013-01-01

    include critical temperature or temperature/critical volume/acentric factor/critical pressure/reduced temperature/reduced normal boiling point temperature/molecular weight of the compounds. Around 1,300 surface tension data of 118 random compounds are used for developing the first model (a four...

  6. 21 CFR 740.18 - Coal tar hair dyes posing a risk of cancer.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 7 2010-04-01 2010-04-01 false Coal tar hair dyes posing a risk of cancer. 740.18... (CONTINUED) COSMETICS COSMETIC PRODUCT WARNING STATEMENTS Warning Statements § 740.18 Coal tar hair dyes... coal tar hair dye containing any ingredient listed in paragraph (b) of this section shall bear, in...

  7. 29 CFR 1910.1002 - Coal tar pitch volatiles; interpretation of term.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 6 2010-07-01 2010-07-01 false Coal tar pitch volatiles; interpretation of term. 1910.1002... Hazardous Substances § 1910.1002 Coal tar pitch volatiles; interpretation of term. As used in § 1910.1000 (Table Z-1), coal tar pitch volatiles include the fused polycyclic hydrocarbons which volatilize from the...

  8. Quark compound bag (QCB) model and nucleon-nucleon interaction

    International Nuclear Information System (INIS)

    Simonov, Yu.A.

    1983-01-01

    Quark degrees of freedom are treated in the NN system in the framework of the QCB model. The resulting QCB potential is in agreement with experimental data. P-matrix analysis inherent to the QCB model is discussed in detail. Applications of the QCB model are given including the weak NN interaction

  9. Mass Transfer Coefficientin Stirred Tank for p -Cresol Extraction Process from Coal Tar

    International Nuclear Information System (INIS)

    Fardhyanti, D S; Tyaningsih, D S; Afifah, S N

    2017-01-01

    Indonesia is a country that has a lot of coal resources. The Indonesian coal has a low caloric value. Pyrolysis is one of the process to increase the caloric value. One of the by-product of the pyrolysis process is coal tar. It contains a lot of aliphatic or aromatic compounds such as p -cresol (11% v/v). It is widely used as a disinfectant. Extractionof p -Cresol increases the economic value of waste of coal. The aim of this research isto study about mass tranfer coefficient in the baffled stirred tank for p -Cresolextraction from coal tar. Mass transfer coefficient is useful for design and scale up of industrial equipment. Extraction is conducted in the baffled stirred tank equipped with a four-bladed axial impeller placed vertically in the vessel. Sample for each time processing (5, 10, 15, 20, 25 and 30minutes) was poured into a separating funnel, settled for an hour and separated into two phases. Then the two phases were weighed. The extract phases and raffinate phases were analyzed by Spectronic UV-Vis. The result showed that mixing speed of p -Cresol extraction increasesthe yield of p -Cresol and the mass transfer coefficient. The highest yield of p -Cresol is 49.32% and the highest mass transfer coefficient is 4.757 x 10 -6 kg/m 2 s. (paper)

  10. Mass Transfer Coefficientin Stirred Tank for p-Cresol Extraction Process from Coal Tar

    Science.gov (United States)

    Fardhyanti, D. S.; Tyaningsih, D. S.; Afifah, S. N.

    2017-04-01

    Indonesia is a country that has a lot of coal resources. The Indonesian coal has a low caloric value. Pyrolysis is one of the process to increase the caloric value. One of the by-product of the pyrolysis process is coal tar. It contains a lot of aliphatic or aromatic compounds such asp-cresol (11% v/v). It is widely used as a disinfectant. Extractionof p-Cresol increases the economic value of waste of coal. The aim of this research isto study about mass tranfer coefficient in the baffled stirred tank for p-Cresolextraction from coal tar. Mass transfer coefficient is useful for design and scale up of industrial equipment. Extraction is conducted inthe baffled stirred tank equipped with a four-bladed axial impeller placed vertically in the vessel. Sample for each time processing (5, 10, 15, 20, 25 and 30minutes) was poured into a separating funnel, settled for an hour and separated into two phases. Then the two phases were weighed. The extract phases and raffinate phases were analyzed by Spectronic UV-Vis. The result showed that mixing speed of p-Cresol extraction increasesthe yield of p-Cresol and the mass transfer coefficient. The highest yield of p-Cresol is 49.32% and the highest mass transfer coefficient is 4.757 x 10-6kg/m2s.

  11. Gas emissions, minerals, and tars associated with three coal fires, Powder River Basin, USA.

    Science.gov (United States)

    Engle, Mark A; Radke, Lawrence F; Heffern, Edward L; O'Keefe, Jennifer M K; Hower, James C; Smeltzer, Charles D; Hower, Judith M; Olea, Ricardo A; Eatwell, Robert J; Blake, Donald R; Emsbo-Mattingly, Stephen D; Stout, Scott A; Queen, Gerald; Aggen, Kerry L; Kolker, Allan; Prakash, Anupma; Henke, Kevin R; Stracher, Glenn B; Schroeder, Paul A; Román-Colón, Yomayra; ter Schure, Arnout

    2012-03-15

    Ground-based surveys of three coal fires and airborne surveys of two of the fires were conducted near Sheridan, Wyoming. The fires occur in natural outcrops and in abandoned mines, all containing Paleocene-age subbituminous coals. Diffuse (carbon dioxide (CO(2)) only) and vent (CO(2), carbon monoxide (CO), methane, hydrogen sulfide (H(2)S), and elemental mercury) emission estimates were made for each of the fires. Additionally, gas samples were collected for volatile organic compound (VOC) analysis and showed a large range in variation between vents. The fires produce locally dangerous levels of CO, CO(2), H(2)S, and benzene, among other gases. At one fire in an abandoned coal mine, trends in gas and tar composition followed a change in topography. Total CO(2) fluxes for the fires from airborne, ground-based, and rate of fire advancement estimates ranged from 0.9 to 780mg/s/m(2) and are comparable to other coal fires worldwide. Samples of tar and coal-fire minerals collected from the mouth of vents provided insight into the behavior and formation of the coal fires. Published by Elsevier B.V.

  12. Perversities of Extreme Dependence and Unequal Growth in the TAR

    NARCIS (Netherlands)

    A.M. Fischer (Andrew Martín)

    2007-01-01

    textabstractThe official Chinese press recently came out with a series of articles reporting the latest statistics on the phenomenally rapid economic growth that has been taking place in the Tibet Autonomous Region (TAR) since the mid-1990s through sheer force of Central Government subsidies.

  13. Pyrolysis kinetics of phenols from lignite semicoking tar

    Energy Technology Data Exchange (ETDEWEB)

    Platonov, V.V.; Polovetskaya, O.S.; Proskuryakov, V.A.; Shavyrina, O.A. [Leo Tolstoy Tula State Pedag University, Tula (Russian Federation)

    2002-11-01

    The features of pyrolysis of phenols from lignite semicoking tar were studied. The activation energy and order of the reactions of accumulation of methane, hydrogen, carbon monoxide and dioxide, naphthalene and its methyl homologs, phenols, and isomeric cresols and dimethylphenols were determined.

  14. Human papillomavirus and tar hypothesis for squamous cell cervical ...

    Indian Academy of Sciences (India)

    2010-08-09

    Aug 9, 2010 ... Keywords. Cervical cancer; co-factors; human papillomavirus; tar-based vaginal douche; tobacco smoke; wood smoke. Author Affiliations. Christina Bennett1 Allen E Kuhn2 Harry W Haverkos3. Indiana University School of Medicine, Indianapolis, Indiana 46202-5149, USA; Suite 300, Hamilton Mason Road ...

  15. Phytotoxicity and Plant Productivity Analysis of Tar-Enriched Biochars

    Science.gov (United States)

    Keller, M. L.; Masiello, C. A.; Dugan, B.; Rudgers, J. A.; Capareda, S. C.

    2008-12-01

    Biochar is one of the three by-products obtained by the pyrolysis of organic material, the other two being syngas and bio-oil. The pyrolysis of biomass has generated a great amount of interest in recent years as all three by-products can be put toward beneficial uses. As part of a larger project designed to evaluate the hydrologic impact of biochar soil amendment, we generated a biochar through fast pyrolysis (less than 2 minutes) of sorghum stock at 600°C. In the initial biochar production run, the char bin was not purged with nitrogen. This inadvertent change in pyrolysis conditions produced a fast-pyrolysis biochar enriched with tars. We chose not to discard this batch, however, and instead used it to test the impact of tar-enriched biochars on plants. A suite of phytotoxicity tests were run to assess the effects of tar-rich biochar on plant germination and plant productivity. We designed the experiment to test for negative effects, using an organic carbon and nutrient-rich, greenhouse- optimized potting medium instead of soil. We used Black Seeded Simpson lettuce (Lactuca sativa) as the test organism. We found that even when tars are present within biochar, biochar amendment up to 10% by weight caused increased lettuce germination rates and increased biomass productivity. In this presentation, we will report the statistical significance of our germination and biomass data, as well as present preliminary data on how biochar amendment affects soil hydrologic properties.

  16. Brown carbon in tar balls from smoldering biomass combustion

    Science.gov (United States)

    R. K. Chakrabarty; H. Moosmuller; L.-W. A. Chen; K. Lewis; W. P. Arnott; C. Mazzoleni; M. K. Dubey; C. E. Wold; W. M. Hao; S. M. Kreidenweis

    2010-01-01

    We report the direct observation of laboratory production of spherical, carbonaceous particles - "tar balls" - from smoldering combustion of two commonly occurring dry mid-latitude fuels. Real-time measurements of spectrally varying absorption Angstrom coefficients (AAC) indicate that a class of light absorbing organic carbon (OC) with wavelength dependent...

  17. Traditional African Religions (TARs): on HIV/AIDS, health and ...

    African Journals Online (AJOL)

    This is because the moral guidance put forward by. African religions is underestimated; hence making HIV/AIDS more of a moral problem. Rethinking the dialogue with TARs, will help in setting appropriate means of enhancing health in a broad sense and living in human dignity in Africa. Mtafiti Mwafrika Vol. 15 2005: pp.

  18. HuMiTar: A sequence-based method for prediction of human microRNA targets

    Directory of Open Access Journals (Sweden)

    Chen Ke

    2008-12-01

    -to-noise ratio and linear, with respect to the length of the mRNA sequence, computational complexity. The ROC analysis shows that HuMiTar obtains results comparable with PicTar, which are characterized by high true positive rates that are coupled with moderate values of false positive rates. Conclusion The proposed HuMiTar method constitutes a step towards providing an efficient model for studying translational gene regulation by miRs.

  19. Radical tar removal : numerical modeling of tar conversion in a partial combustion reactor

    NARCIS (Netherlands)

    Verhoeven, L.M.

    2011-01-01

    In our current society, society is more than ever aware that fossil fuel stocks are finite. As a result, the interest in alternative sustainable energy sources has increased significantly. A promising renewable conversion technique is biomass gasification. Gasification can be defined as thermal

  20. Avoiding tar formation in biocoke production from waste biomass

    International Nuclear Information System (INIS)

    Adrados, A.; De Marco, I.; Lopez-Urionabarrenechea, A.; Solar, J.; Caballero, B.

    2015-01-01

    This paper focuses in avoiding tar formation and in optimizing pyrolysis gas (maximizing H 2 and CO) in the production of biocoke from waste lignocellulosic biomass. In order to obtain metallurgical grade biochar (biocoke) slow heating rate and high temperature are required. Under such conditions useless pyrolysis liquids, mainly composed of water together with some heavy-sticky tars, are obtained. In order to make biocoke a cost-effective process it is necessary to optimize pyrolysis vapors avoiding tar formation and maximizing the amount and quality of both coke and gases. With this objective, in this work different heating rates (3–20 °C min −1 ) and catalysts (zeolite, Ni/CeO 2 –Al 2 O 3 ) have been tested in a two step pyrolysis process. Olive tree cuttings have been pyrolyzed in a 3.5 L batch reactor at 750 °C and the vapors generated have been thermally and catalytically treated at 900 °C in a second tubular reactor. About 25 wt.% biocoke useful as reducing agent in certain metallurgical processes, ≈57 wt.% gases with near 50 vol.% H 2 , and no tar production has been achieved when a heating rate of 3 °C min −1 and the homemade Ni/CeO 2 –Al 2 O 3 catalyst were used. - Highlights: • Metallurgical grade biochar was obtained by olive waste pyrolysis. • Low heating rates avoid tar formation and increase gas and biochar yields. • Ni/CeO 2 –Al 2 O 3 was better than HZSM5 zeolite for vapor upgrading in a second step. • Ni/CeO 2 –Al 2 O 3 and 3 °C min −1 gave the maximum H 2 , gas and biochar yields

  1. Ensamblajes urbanos: la TAR y el examen de la ciudad

    Directory of Open Access Journals (Sweden)

    Ignacio Farías

    2011-03-01

    Full Text Available Este artículo presenta nuevas perspectivas de investigación y desafíos analíticos que la teoría del actor-red (TAR abre para los estudios urbanos. En primer lugar, se revisan cómo los principios de relacionalidad híbrida y asociatividad plana de la TAR están siendo adoptados en los estudios urbanos para ampliar simétricamente la ecología urbana a no-humanos e impugnar concepciones escalares del espacio y economías urbanas. A continuación, se propone que la TAR trae consigo un desafío más fundamental relativo a la concepción de la ciudad como objeto de estudio. Mientras su comprensión habitual como objeto espacial, entidad político-económica y/o forma sociocultural subraya su carácter singular, estable y delimitado, la TAR permite pensar la ciudad como un objeto múltiple y decentrado. La noción de ensamblajes urbanos se introduce entonces para dar cuenta de la circulación y devenir de la ciudad en múltiples redes híbridas y translocales. El artículo concluye sopesando algunas de las consecuencias de este exámen de la ciudad, especialmente el reposicionamiento del problema de la complejidad, urbana en este caso, como punto, si no de partida, entonces al menos de llegada para la TAR.

  2. Analysis of the environmental control technology for tar sand development

    Energy Technology Data Exchange (ETDEWEB)

    de Nevers, N.; Glenne, B.; Bryner, C.

    1979-06-01

    The environmental technology for control of air pollution, water pollution, and for the disposal, stabilization, and vegetation of the waste tar sand were thoroughly investigated. Although some difficulties may be encountered in any of these undertakings, it seems clear that the air and water pollution problems can be solved to meet any applicable standard. Currently there are two large-scale plants producing liquid fuels from tar sands in Alberta, Canada which use similar technology involving surface mining, hot water extraction, and surface disposal of waste sand. These projects all meet the Canadian environmental control regulations in force at the time they began. The largest US deposits of tar sands are much smaller than the Canadian; 95 percent are located in the state of Utah. Their economics do not appear as attractive as the Canadian deposits. The environmental control costs are not large enough to make an otherwise economic project uneconomic. The most serious environmental conflict likely to occur over the recovery of liquid fuels from the US deposits of tar sands is that caused by the proximity of the deposits to national parks, national monuments, and a national recreation area in Utah. These areas have very stringent air pollution requirements; and even if the air pollution control requirements can be met, there may still be adequate opposition to large-scale mining ventures in these areas to prevent their commercial exploitation. Another environmental constraint may be water rights availability.Essentially all of the water running in the Colorado river basin is now legally allocated. Barring new interpretations of the legality of water rights purchase, Utah tar sands developments should be able to obtain water by purchasing existing irrigation water rights.

  3. Monitoring of tar contents in gases. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Finn [ChimneyLab Europe ApS, Hadsten (Denmark); Houmann Jakobsen, H. [BioSynergi Proces ApS, Hoersholm (Denmark)

    2012-08-15

    The purpose of this project is to develop and test a relative cheap and simple online tar measuring method, which can monitor the tar content in product gas from thermal gasification. The measuring principle is absorption of tar from sample gas in Isopropanol (IPA), and measuring on this solution by UV-spectrophotometer. Continuous sampling of tar containing producer gas turned out to be a larger problem than earlier foreseen. The best solution was decided to be sampling with higher flows, and afterwards cleaning the IPA in activated carbon. The ambitions for continuous sampling had to be decreased to 1 week, where the IPA and the activated carbon is contaminated by tar and has to be replaced. However this requires larger amounts of IPA and activated carbon. For IPA the weekly consumption was 12-15 Litres and for activated carbon 10 Litres. The whole analyzer unit turned out to be more complex than first projected, mainly because of the increased amounts of IPA. The best mist filter, with respect to pressure drop, efficiency and retention time is a combination of glass wool and quarts wool. The unit has been tested on gas; 20 kW pellets burner for 116 hours. Harbooere updraft gasifier for 519 hours. Skive fluid bed gasifier for 879 hours. There have during the project period been several simple practical problems such as bubbles in the IPA, increasing pressure drop over the activated carbon bed, dropout of UV data acquisition program and increasing baseline. The principle showed from the beginning some good results, with the limitation of 1 week continuous operation, but at the 5. period in Skive the baseline was increasing all the time, and it was not possible to solve this problem. (LN)

  4. Process for removing heavy metal compounds from heavy crude oil

    Science.gov (United States)

    Cha, Chang Y.; Boysen, John E.; Branthaver, Jan F.

    1991-01-01

    A process is provided for removing heavy metal compounds from heavy crude oil by mixing the heavy crude oil with tar sand; preheating the mixture to a temperature of about 650.degree. F.; heating said mixture to up to 800.degree. F.; and separating tar sand from the light oils formed during said heating. The heavy metals removed from the heavy oils can be recovered from the spent sand for other uses.

  5. A Signal Detection Model of Compound Decision Tasks

    Science.gov (United States)

    2006-12-01

    strict isolation (for many examples of such models see Egan, 1975; Macmillan & Creelman , 1991). The result has been twofold: A rich corpus of decision...Macmillan & Creelman , 1991). It is important to point out that SDT models are primarily decision models. They specify the rules and procedures for how...Broadbent, 1958; Macmillan & Creelman , 1991; Nolte & Jaarsma, 1967; Swensson & Judy, 1981; Tanner & Norman, 1954). To better understand how these two

  6. A Temperature-Dependent Hysteresis Model for Relaxor Ferroelectric Compounds

    National Research Council Canada - National Science Library

    Raye, Julie K; Smith, Ralph C

    2004-01-01

    This paper summarizes the development of a homogenized free energy model which characterizes the temperature-dependent hysteresis and constitutive nonlinearities inherent to relaxor ferroelectric materials...

  7. Identifying developmental vascular disruptor compounds using a predictive signature and alternative toxicity models

    Science.gov (United States)

    Identifying Developmental Vascular Disruptor Compounds Using a Predictive Signature and Alternative Toxicity Models Presenting Author: Tamara Tal Affiliation: U.S. EPA/ORD/ISTD, RTP, NC, USA Chemically induced vascular toxicity during embryonic development can result in a wide...

  8. Hydrodeoxygenation of mono- and dimeric lignin model compounds on noble metal catalysts

    NARCIS (Netherlands)

    Guvenatam, Burcu; Kursun, Osman; Heeres, Hero; Pidko, Evgeny A.; Hensen, Emiel J. M.

    2014-01-01

    The influence of reaction conditions (temperature, acidity) on the catalytic performance of supported Pt, Pd and Ru catalysts for the aqueous phase hydrodeoxygenation (HDO) of lignin model compounds was systematically investigated. Phenol conversion proceeds via hydrogenation of the aromatic ring

  9. Studies of RF sheaths and diagnostics on IShTAR

    Energy Technology Data Exchange (ETDEWEB)

    Crombé, K., E-mail: Kristel.Crombe@UGent.be [Department of Applied Physics, Ghent University, Ghent (Belgium); LPP-ERM/KMS, Royal Military Academy, Brussels (Belgium); Devaux, S.; Faudot, E.; Heuraux, S.; Moritz, J. [YIJL, UMR7198 CNRS-Université de Lorraine, Nancy (France); D’Inca, R.; Faugel, H.; Fünfgelder, H.; Jacquot, J.; Ochoukov, R. [Max-Planck-Institut für Plasmaphysik, Garching (Germany); Louche, F.; Tripsky, M.; Van Eester, D.; Wauters, T. [LPP-ERM/KMS, Royal Military Academy, Brussels (Belgium); Noterdaeme, J.-M. [Department of Applied Physics, Ghent University, Ghent (Belgium); Max-Planck-Institut für Plasmaphysik, Garching (Germany)

    2015-12-10

    IShTAR (Ion cyclotron Sheath Test ARrangement) is a linear magnetised plasma test facility for RF sheaths studies at the Max-Planck-Institut für Plasmaphysik in Garching. In contrast to a tokamak, a test stand provides more liberty to impose the parameters and gives better access for the instrumentation and antennas. The project will support the development of diagnostic methods for characterising RF sheaths and validate and improve theoretical predictions. The cylindrical vacuum vessel has a diameter of 1 m and is 1.1 m long. The plasma is created by an external cylindrical plasma source equipped with a helical antenna that has been designed to excite the m=1 helicon mode. In inductive mode, plasma densities and electron temperatures have been characterised with a planar Langmuir probe as a function of gas pressure and input RF power. A 2D array of RF compensated Langmuir probes and a spectrometer are planned. A single strap RF antenna has been designed; the plasma-facing surface is aligned to the cylindrical plasma to ease the modelling. The probes will allow direct measurements of plasma density profiles in front of the RF antenna, and thus a detailed study of the density modifications induced by RF sheaths, which influences the coupling. The RF antenna frequency has been chosen to study different plasma wave interactions: the accessible plasma density range includes an evanescent and propagative behaviour of slow or fast waves, and allows the study of the effect of the lower hybrid resonance layer.

  10. The impact of steam and current density on carbon formation from biomass gasification tar on Ni/YSZ, and Ni/CGO solid oxide fuel cell anodes

    Science.gov (United States)

    Mermelstein, Joshua; Millan, Marcos; Brandon, Nigel

    The combination of solid oxide fuel cells (SOFCs) and biomass gasification has the potential to become an attractive technology for the production of clean renewable energy. However the impact of tars, formed during biomass gasification, on the performance and durability of SOFC anodes has not been well established experimentally. This paper reports an experimental study on the mitigation of carbon formation arising from the exposure of the commonly used Ni/YSZ (yttria stabilized zirconia) and Ni/CGO (gadolinium-doped ceria) SOFC anodes to biomass gasification tars. Carbon formation and cell degradation was reduced through means of steam reforming of the tar over the nickel anode, and partial oxidation of benzene model tar via the transport of oxygen ions to the anode while operating the fuel cell under load. Thermodynamic calculations suggest that a threshold current density of 365 mA cm -2 was required to suppress carbon formation in dry conditions, which was consistent with the results of experiments conducted in this study. The importance of both anode microstructure and composition towards carbon deposition was seen in the comparison of Ni/YSZ and Ni/CGO anodes exposed to the biomass gasification tar. Under steam concentrations greater than the thermodynamic threshold for carbon deposition, Ni/YSZ anodes still exhibited cell degradation, as shown by increased polarization resistances, and carbon formation was seen using SEM imaging. Ni/CGO anodes were found to be more resilient to carbon formation than Ni/YSZ anodes, and displayed increased performance after each subsequent exposure to tar, likely due to continued reforming of condensed tar on the anode.

  11. Identifying the source of tar balls deposited along the beaches of Goa in 2013 and comparing with historical data collected along the West Coast of India.

    Science.gov (United States)

    Suneel, V; Vethamony, P; Naik, B G; Krishna, M S; Jadhav, Lakshmikant

    2015-09-15

    Deposition of oil residues, also known as tar balls, is a seasonal phenomenon, and it occurs only in the southwest monsoon season along the west coast of India. This has become a serious environmental issue, as Goa is a global tourist destination. The present work aims at identifying the source oil of the tar balls that consistently depositing along the Goa coast using multi-marker fingerprint technique. In this context, the tar ball samples collected in May 2013 from 9 beaches of Goa coast and crude oils from different oil fields and grounded ship were subject to multi-marker analyses such as n-alkanes, pentacyclic terpanes, regular steranes, compound specific isotope analysis (CSIA) and principle component analysis (PCA). The n-alkane weathering index shows that samples have been weathered to various degrees, and the status of weathering is moderate. Since the international tanker route passes closer to the west coast of India (WCI), it is generally presumed that tanker wash is the source of the tar balls. We found that 2010/2011 tar balls are as tanker wash, but the present study demonstrates that the Bombay High (BH) oil fields can also contribute to oil contamination (tar balls) along ≈ 650 km stretch of the WCI, running from Gujarat in the north to Goa in the south. The simulated trajectories show that all the particles released in April traveled in the southeast direction, and by May, they reached the Goa coast with the influence of circulation of Indian monsoon system. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Economic and environmental effects of the FQD on crude oil production from tar sands

    Energy Technology Data Exchange (ETDEWEB)

    Kampman, B.; De Buck, A.; Afman, M. [CE Delft, Delft (Netherlands); Van den Berg, J.; Otten, G.J. [Carbon Matters, Den Haag (Netherlands)

    2013-05-15

    The production of unconventional crudes in Canada and Venezuela and exports of these crudes to the EU are investigated. In addition the potential economic and environmental impact of the proposed EU FQD measures (Fuel Quality Directive) on the production of crudes from tar sands and on new tar sand exploration projects are examined. CE Delft has analysed the impact by using a dedicated cost model. For existing projects, the model determines the effect on the basis of marginal production costs. For planned projects the model used the net present value (NPV) of proposed investments. The impacts were determined for a range of crude oil prices and FQD price effects. Combined, for existing and new projects together, the maximum effect would be at a price level at 60 USD/bbl, with savings of up to 19 Mt CO2/y at an FQD price differential of 3 euro/bbl. This overall effect would be substantial and come on top of the total emission reduction effect of the FQD of 60 Mt CO2/y, which will be achieved mostly by the blending of low-carbon fuels and reduced flaring and venting. As part of the reduction of transport greenhouse gas (GHG) emissions, the revised FQD obliges fuel suppliers to reduce these emissions by 6% by 2020 on a well-to-wheel basis. The EU is currently developing a methodology to differentiate fossil fuels on the basis of feedstock and GHG emissions. In the proposal, diesel produced from tar sands, has been given a default emission value of 108.5 gCO2 eq/MJ, while diesel from conventional crude was set at 89.1 gCO2 eq/MJ. The Commission's proposal is currently undergoing an impact assessment and is expected to be resubmitted to the Council later this year (2013)

  13. Consideration of the Verleur model of far-infrared spectroscopy of ternary compounds

    International Nuclear Information System (INIS)

    Robouch, B. V.; Kisiel, A.; Sheregii, E. M.

    2001-01-01

    The clustering model proposed by Verleur and Barker [Phys. Rev. 149, 715 (1966)] to interpret far infrared data for face-centered-cubic ternary compounds is critically analyzed. It is shown that their approach, satisfactory for fitting some ternary compound spectral curves, is too restricted by its one-parameter β model to be able to describe preferences (with respect to a random distribution case) for the five tetrahedron configurations

  14. A modeling approach for compounds affecting body composition.

    Science.gov (United States)

    Gennemark, Peter; Jansson-Löfmark, Rasmus; Hyberg, Gina; Wigstrand, Maria; Kakol-Palm, Dorota; Håkansson, Pernilla; Hovdal, Daniel; Brodin, Peter; Fritsch-Fredin, Maria; Antonsson, Madeleine; Ploj, Karolina; Gabrielsson, Johan

    2013-12-01

    Body composition and body mass are pivotal clinical endpoints in studies of welfare diseases. We present a combined effort of established and new mathematical models based on rigorous monitoring of energy intake (EI) and body mass in mice. Specifically, we parameterize a mechanistic turnover model based on the law of energy conservation coupled to a drug mechanism model. Key model variables are fat-free mass (FFM) and fat mass (FM), governed by EI and energy expenditure (EE). An empirical Forbes curve relating FFM to FM was derived experimentally for female C57BL/6 mice. The Forbes curve differs from a previously reported curve for male C57BL/6 mice, and we thoroughly analyse how the choice of Forbes curve impacts model predictions. The drug mechanism function acts on EI or EE, or both. Drug mechanism parameters (two to three parameters) and system parameters (up to six free parameters) could be estimated with good precision (coefficients of variation typically mass and FM changes at different drug provocations using a similar model for man. Surprisingly, model simulations indicate that an increase in EI (e.g. 10 %) was more efficient than an equal lowering of EI. Also, the relative change in body mass and FM is greater in man than in mouse at the same relative change in either EI or EE. We acknowledge that this assumes the same drug mechanism impact across the two species. A set of recommendations regarding the Forbes curve, vehicle control groups, dual action on EI and loss, and translational aspects are discussed. This quantitative approach significantly improves data interpretation, disease system understanding, safety assessment and translation across species.

  15. Multivariate characterisation and quantitative structure-property relationship modelling of nitroaromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Joensson, S. [Man-Technology-Environment Research Centre, Department of Natural Sciences, Orebro University, 701 82 Orebro (Sweden)], E-mail: sofie.jonsson@nat.oru.se; Eriksson, L.A. [Department of Natural Sciences and Orebro Life Science Center, Orebro University, 701 82 Orebro (Sweden); Bavel, B. van [Man-Technology-Environment Research Centre, Department of Natural Sciences, Orebro University, 701 82 Orebro (Sweden)

    2008-07-28

    A multivariate model to characterise nitroaromatics and related compounds based on molecular descriptors was calculated. Descriptors were collected from literature and through empirical, semi-empirical and density functional theory-based calculations. Principal components were used to describe the distribution of the compounds in a multidimensional space. Four components described 76% of the variation in the dataset. PC1 separated the compounds due to molecular weight, PC2 separated the different isomers, PC3 arranged the compounds according to different functional groups such as nitrobenzoic acids, nitrobenzenes, nitrotoluenes and nitroesters and PC4 differentiated the compounds containing chlorine from other compounds. Quantitative structure-property relationship models were calculated using partial least squares (PLS) projection to latent structures to predict gas chromatographic (GC) retention times and the distribution between the water phase and air using solid-phase microextraction (SPME). GC retention time was found to be dependent on the presence of polar amine groups, electronic descriptors including highest occupied molecular orbital, dipole moments and the melting point. The model of GC retention time was good, but the precision was not precise enough for practical use. An important environmental parameter was measured using SPME, the distribution between headspace (air) and the water phase. This parameter was mainly dependent on Henry's law constant, vapour pressure, log P, content of hydroxyl groups and atmospheric OH rate constant. The predictive capacity of the model substantially improved when recalculating a model using these five descriptors only.

  16. A computational study of pyrolysis reactions of lignin model compounds

    Science.gov (United States)

    Thomas Elder

    2010-01-01

    Enthalpies of reaction for the initial steps in the pyrolysis of lignin have been evaluated at the CBS-4m level of theory using fully substituted b-O-4 dilignols. Values for competing unimolecular decomposition reactions are consistent with results previously published for phenethyl phenyl ether models, but with lowered selectivity. Chain propagating reactions of free...

  17. The temporal relationship between advertising and sales of low-tar cigarettes.

    Science.gov (United States)

    Reed, Mark B; Anderson, Christy M; Burns, David M

    2006-12-01

    To determine whether a temporal relationship exists between the advertising and sales of low-tar cigarettes. It was hypothesised that increases in the advertising of low-tar cigarettes would precede increases in sales for these cigarettes. The themes of cigarette advertisements were reviewed and coded for 20 low-tar cigarette brands advertised in 13 widely read magazines in the US between 1960 and 1996. These 20 brands represented most of the low-tar cigarette advertisements and cigarette sales from 1967 to 1996. Cigarette sales data were obtained from the 1994 Maxwell report that summarises all cigarette sales from 1925 to 1990. If the advertisement referred to the low-tar attributes of the cigarette advertised, the advertisement was coded as having a low-tar theme and was included in the analysis. Five different graphical presentations of the relationship between the advertising and sales of the 20 low-tar cigarette brands showed a temporal relationship between low-tar advertising and sales for these brands. This relationship was observed for brands that introduced a low-tar alternative into an existing brand family (eg, Marlboro Light) and for new exclusively low-tar brands (eg, Carlton). Despite large increases in the advertising for the exclusively low-tar brands, sales of these brands remained low relative to sales of the low-tar alternative brands. Increases in print advertising of 20 of the most popular low-tar cigarette brands were followed by increases in sales for these cigarettes. Despite increases in the advertising of exclusively low-tar brands in the mid-1970s and early 1980s, the sales of these brands never matched the sales of the low-tar alternative brands. This suggests that it may have been easier to get smokers to switch to low-tar brands within a brand family compared with entirely new low-tar brands. Over the past 30 years, the marketing of low-tar cigarettes as a healthier alternative to higher-tar cigarettes has resulted in these brands

  18. The temporal relationship between advertising and sales of low‐tar cigarettes

    Science.gov (United States)

    Reed, Mark B; Anderson, Christy M; Burns, David M

    2006-01-01

    Objective and hypothesis To determine whether a temporal relationship exists between the advertising and sales of low‐tar cigarettes. It was hypothesised that increases in the advertising of low‐tar cigarettes would precede increases in sales for these cigarettes. Methods The themes of cigarette advertisements were reviewed and coded for 20 low‐tar cigarette brands advertised in 13 widely read magazines in the US between 1960 and 1996. These 20 brands represented most of the low‐tar cigarette advertisements and cigarette sales from 1967 to 1996. Cigarette sales data were obtained from the 1994 Maxwell report that summarises all cigarette sales from 1925 to 1990. If the advertisement referred to the low‐tar attributes of the cigarette advertised, the advertisement was coded as having a low‐tar theme and was included in the analysis. Results Five different graphical presentations of the relationship between the advertising and sales of the 20 low‐tar cigarette brands showed a temporal relationship between low‐tar advertising and sales for these brands. This relationship was observed for brands that introduced a low‐tar alternative into an existing brand family (eg, Marlboro Light) and for new exclusively low‐tar brands (eg, Carlton). Despite large increases in the advertising for the exclusively low‐tar brands, sales of these brands remained low relative to sales of the low‐tar alternative brands. Conclusions Increases in print advertising of 20 of the most popular low‐tar cigarette brands were followed by increases in sales for these cigarettes. Despite increases in the advertising of exclusively low‐tar brands in the mid‐1970s and early 1980s, the sales of these brands never matched the sales of the low‐tar alternative brands. This suggests that it may have been easier to get smokers to switch to low‐tar brands within a brand family compared with entirely new low‐tar brands. Over the past 30 years, the marketing of low‐tar

  19. Rebound of a coal tar creosote plume following partial source zone treatment with permanganate.

    Science.gov (United States)

    Thomson, N R; Fraser, M J; Lamarche, C; Barker, J F; Forsey, S P

    2008-11-14

    The long-term management of dissolved plumes originating from a coal tar creosote source is a technical challenge. For some sites stabilization of the source may be the best practical solution to decrease the contaminant mass loading to the plume and associated off-site migration. At the bench-scale, the deposition of manganese oxides, a permanganate reaction byproduct, has been shown to cause pore plugging and the formation of a manganese oxide layer adjacent to the non-aqueous phase liquid creosote which reduces post-treatment mass transfer and hence mass loading from the source. The objective of this study was to investigate the potential of partial permanganate treatment to reduce the ability of a coal tar creosote source zone to generate a multi-component plume at the pilot-scale over both the short-term (weeks to months) and the long-term (years) at a site where there is >10 years of comprehensive synoptic plume baseline data available. A series of preliminary bench-scale experiments were conducted to support this pilot-scale investigation. The results from the bench-scale experiments indicated that if sufficient mass removal of the reactive compounds is achieved then the effective solubility, aqueous concentration and rate of mass removal of the more abundant non-reactive coal tar creosote compounds such as biphenyl and dibenzofuran can be increased. Manganese oxide formation and deposition caused an order-of-magnitude decrease in hydraulic conductivity. Approximately 125 kg of permanganate were delivered into the pilot-scale source zone over 35 days, and based on mass balance estimates 35% reduction for all monitored compounds except for biphenyl, dibenzofuran and fluoranthene 150 days after treatment, which is consistent with the bench-scale experimental results. Pre- and post-treatment soil core data indicated a highly variable and random spatial distribution of mass within the source zone and provided no insight into the mass removed of any of the

  20. Determination of coal tar and creosote constituents in the aquatic environment

    International Nuclear Information System (INIS)

    Hale, R.C.; Aneiro, K.M.

    1997-01-01

    Creosote and its parent material, coal tar, are complex mixtures. Assessment of their fate and concentrations in the environment needs to consider a wide variety of both compounds and matrices. Analyses are typically complicated, consisting of sample extraction, purification and chromatography-based final characterization steps. Several new techniques have been introduced to reduce or simplify the number of steps, solvent and time required. Recently developed extraction methods include supercritical fluid, accelerated solvent, microwave and solid-phase microextraction. On-line purification and coupling of extraction and chromatography have also emerged. HPLC and GC remain the major tools for performing the final separations. Application of mass spectrometry has increased as more reliable, versatile and less expensive units have become available, such as the ion trap and mass selective detectors. Fluorescence and diode array UV, in concert with HPLC, and C-, S- and N-selective gas chromatographic detectors are also being applied

  1. Optimal processing conditions for a dolomite cracker for cracking of tar from gasification of biomass fuels. Optimale procesbetingelser for en dolomitkrakker til krakning af tjaere fra forgasning af biobraendsler

    Energy Technology Data Exchange (ETDEWEB)

    Fjellerup, J.

    1989-08-15

    Gasification of fuels derived from biomass is of interest in connection with combined cycle systems. During gasification tar compounds can be produced, and these can block further stages of the process. As gas turbines are very sensitive to tar compounds it is necessary to remove the tar completely from the gas. The most effective method appears to be catalytic cracking and it is suggested that dolomite is an effective and cheap catalysator. Based on a survey of relevant literature, the aim was to discover optimal conditions for the process of dolomite cracking. It is concluded that it is important to decarbonate the dolomite before use, that dolomite is not suitable for use in fluidized beds as it can become eroded and is subsequently very quickly blown out, and that it is important to hold the temperature at a level of ca. 800 deg. C. Conditions for fixed bed cracking both with and without steam are also desderibed. (AB) 15 refs.

  2. Global emissions and models of photochemically active compounds

    International Nuclear Information System (INIS)

    Penner, J.E.; Atherton, C.S.; Graedel, T.E.

    1993-01-01

    Anthropogenic emissions from industrial activity, fossil fuel combustion, and biomass burning are now known to be large enough (relative to natural sources) to perturb the chemistry of vast regions of the troposphere. A goal of the IGAC Global Emissions Inventory Activity (GEIA) is to provide authoritative and reliable emissions inventories on a 1 degree x 1 degree grid. When combined with atmospheric photochemical models, these high quality emissions inventories may be used to predict the concentrations of major photochemical products. Comparison of model results with measurements of pertinent species allows us to understand whether there are major shortcomings in our understanding of tropospheric photochemistry, the budgets and transport of trace species, and their effects in the atmosphere. Through this activity, we are building the capability to make confident predictions of the future consequences of anthropogenic emissions. This paper compares IGAC recommended emissions inventories for reactive nitrogen and sulfur dioxide to those that have been in use previously. We also present results from the three-dimensional LLNL atmospheric chemistry model that show how emissions of anthropogenic nitrogen oxides might potentially affect tropospheric ozone and OH concentrations and how emissions of anthropogenic sulfur increase sulfate aerosol loadings

  3. Inhibition of both HIV-1 reverse transcription and gene expression by a cyclic peptide that binds the Tat-transactivating response element (TAR RNA.

    Directory of Open Access Journals (Sweden)

    Matthew S Lalonde

    2011-05-01

    Full Text Available The RNA response element TAR plays a critical role in HIV replication by providing a binding site for the recruitment of the viral transactivator protein Tat. Using a structure-guided approach, we have developed a series of conformationally-constrained cyclic peptides that act as structural mimics of the Tat RNA binding region and block Tat-TAR interactions at nanomolar concentrations in vitro. Here we show that these compounds block Tat-dependent transcription in cell-free systems and in cell-based reporter assays. The compounds are also cell permeable, have low toxicity, and inhibit replication of diverse HIV-1 strains, including both CXCR4-tropic and CCR5-tropic primary HIV-1 isolates of the divergent subtypes A, B, C, D and CRF01_AE. In human peripheral blood mononuclear cells, the cyclic peptidomimetic L50 exhibited an IC(50 ∼250 nM. Surprisingly, inhibition of LTR-driven HIV-1 transcription could not account for the full antiviral activity. Timed drug-addition experiments revealed that L-50 has a bi-phasic inhibition curve with the first phase occurring after HIV-1 entry into the host cell and during the initiation of HIV-1 reverse transcription. The second phase coincides with inhibition of HIV-1 transcription. Reconstituted reverse transcription assays confirm that HIV-1 (- strand strong stop DNA synthesis is blocked by L50-TAR RNA interactions in-vitro. These findings are consistent with genetic evidence that TAR plays critical roles both during reverse transcription and during HIV gene expression. Our results suggest that antiviral drugs targeting TAR RNA might be highly effective due to a dual inhibitory mechanism.

  4. Some information needs for air quality modeling. [Environmental effects of sulfur compounds

    Energy Technology Data Exchange (ETDEWEB)

    Hill, F B

    1975-09-01

    The following topics were considered at the workshop: perturbation of the natural sulfur cycle by human activity; ecosystem responses to a given environmental dose of sulfur compounds; movement of sulfur compounds within the atmosphere; air quality models; contribution of biogenic sulfur compounds to atmospheric burden of sulfur; production of acid rain from sulfur dioxide; meteorological processes; and rates of oxidation of SO/sub 2/ via direct photo-oxidation, oxidation resulting from photo-induced free radical chemistry, and catalytic oxidation in cloud droplets and on dry particles. (HLW)

  5. A detailed chemical kinetic model for pyrolysis of the lignin model compound chroman

    Directory of Open Access Journals (Sweden)

    James Bland

    2013-12-01

    Full Text Available The pyrolysis of woody biomass, including the lignin component, is emerging as a potential technology for the production of renewable fuels and commodity chemicals. Here we describe the construction and implementation of an elementary chemical kinetic model for pyrolysis of the lignin model compound chroman and its reaction intermediate ortho-quinone methide (o-QM. The model is developed using both experimental and theoretical data, and represents a hybrid approach to kinetic modeling that has the potential to provide molecular level insight into reaction pathways and intermediates while accurately describing reaction rates and product formation. The kinetic model developed here can replicate all known aspects of chroman pyrolysis, and provides new information on elementary reaction steps. Chroman pyrolysis is found to proceed via an initial retro-Diels–Alder reaction to form o-QM + ethene (C2H4, followed by dissociation of o-QM to the C6H6 isomers benzene and fulvene (+ CO. At temperatures of around 1000–1200 K and above fulvene rapidly isomerizes to benzene, where an activation energy of around 270 kJ mol-1 is required to reproduce experimental observations. A new G3SX level energy surface for the isomerization of fulvene to benzene supports this result. Our modeling also suggests that thermal decomposition of fulvene may be important at around 950 K and above. This study demonstrates that theoretical protocols can provide a significant contribution to the development of kinetic models for biomass pyrolysis by elucidating reaction mechanisms, intermediates, and products, and also by supplying realistic rate coefficients and thermochemical properties.

  6. Tar ball concentrations in the ocean around the Cape of Good Hope before and after a major oil spill

    Energy Technology Data Exchange (ETDEWEB)

    Eagle, G A; Green, A; Williams, J

    1979-11-01

    From August 1977 to August 1978, tar ball concentrations around the southwestern coast of South Africa were sampled. Prior to a tanker collision on December 16, 1977, the area was relatively free of floating tar. Following the collision, tar ball concentrations increased; tar was transported by wind and currents, at average speeds of about 1 km/hr. In areas of slack currents, tar was observed for as long as 8 months after the spill. Results provided information about surface current trends.

  7. Treatment of low-temperature tar-gas mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Schick, F

    1928-07-04

    Process for the treating and conversion of low-temperature tar-vapor and gas mixtures in the presence of metals or metal oxides as well as bodies of large surface, without previous condensation of the liquid material to be treated, characterized by the treatment taking place with a mixture of desulfurizing metals and metal oxides which, if necessary, are precipitated on carriers and large surface nonmetal cracking catalysts, such as active carbon and silica gel.

  8. Modelling uptake into roots and subsequent translocation of neutral and ionisable organic compounds

    DEFF Research Database (Denmark)

    Trapp, Stefan

    2000-01-01

    A study on uptake of neutral and dissociating organic compounds from soil solution into roots, and their subsequent translocation, was undertaken using model simulations. The model approach combines the processes of lipophilic sorption, electrochemical interactions, ion trap, advection in xylem...... and dilution by growth. It needs as input data, apart fromplant properties, log KOW, pKa and the valency number of the compound, and pH and chemical concentration in the soil solution. Equilibrium and dynamic (steady-state) models were tested against measured data from several authors, including non...

  9. Coal-tar based pavement sealant toxicity to freshwater macroinvertebrates.

    Science.gov (United States)

    Bryer, Pamela J; Scoggins, Mateo; McClintock, Nancy L

    2010-05-01

    Non-point-source pollution is a major source of ecological impairment in urban stream systems. Recent work suggests that coal-tar pavement sealants, used extensively to protect parking areas, may be contributing a large portion of the polycyclic aromatic hydrocarbon (PAH) loading seen in urban stream sediments. The hypothesis that dried coal-tar pavement sealant flake could alter the macroinvertebrate communities native to streams in Austin, TX was tested using a controlled outdoor laboratory type approach. The treatment groups were: control, low, medium, and high with total PAH concentrations (TPAH = sum of 16 EPA priority pollutant PAHs) of 0.1, 7.5, 18.4, & 300 mg/kg respectively. The low, medium, and high treatments were created via the addition of dried coal-tar pavement sealant to a sterile soil. At the start of the 24-day exposure, sediment from a minimally impacted local reference site containing a community of live sediment-dwelling benthic macroinvertebrates was added to each replicate. An exposure-dependent response was found for several stream health measures and for several individual taxa. There were community differences in abundance (P = 0.0004) and richness (P pavement sealants contain bioavailable PAHs that may harm aquatic environments. Copyright 2009 Elsevier Ltd. All rights reserved.

  10. Solvent refining of low-temperature tar with liquid ammonia

    Energy Technology Data Exchange (ETDEWEB)

    Ishida, K

    1953-01-01

    The middle fractions of low-temperature tar were treated with mixed solutions of H/sub 2/O and liquid NH/sub 3/ at 0/sup 0/ and 20/sup 0/, and with liquid NH/sub 3/ at -10, 0, + 10, and 20/sup 0/, and phase equilibrium between tar acids, neutral oil, and solvents were studied. The distribution ratio ranged from less than 1 to greater than 1 when the solvent contained about 20 percent (by weight) H/sub 2/O. When the solvent contained less than 85 percent (by weight) NH/sub 3/, the yield of extract was small but the purity of phenols in the extracted oil was above 90 percent. Solvent containing about 85 percent NH/sub 3/ (by weight) is considered optimum for separating tar acids from oils. A novel definition is proposed for solvent selectivity as the difference between the concentration of the solute in the extract layer, on a solvent-free basis, and the concentration in the raffinate layer.

  11. Composition of coal tar from pyrolysis and hydropyrolysis of Shenmu coal macerals

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Q.; Li, W.; Chen, H.; Li, B. [Shandong Academy of Sciences, Jinan (China)

    2005-08-15

    To understand the relationship of the tar compositions and the coal macerals, the tars obtained from the pyrolysis and hydropyrolysis of Shenmu coal macerals in a fixed-bed reactor were analysed using GC-MS. And the effects of petrographic component, atmosphere and pressure on the yield of aromatic hydrocarbon, phenols, hydrocarbons, oxygen-containing heterocycle and PAHs were systematically investigated. The results show that there is great difference in the composition and the relative content of long chain hydrocarbons, aromatic hydrocarbons, phenols, oxygen-containing heterocycle and PAHs in tars from vitrinite and inertinite pyrolysis. Vitrinite tar contains high content of hydrocarbon with long chain, and inertinite tar contains high content of aromatic hydrocarbons, phenols, oxygen-containing heterocycle and PAHs. It suggests that vitrinite has lower aromaticity and longer chain in its structure than inertinite, which is in well agreement with the result from {sup 13}C NMR and FT-IR test. The tar yield of hydropyrolysis is higher than that of pyrolysis. With increasing the hydrogen pressure, the yield of tar increases greatly. The content of phenols and naphthalene in vitrinite tar form hydropyrolysis under 0.1 MPa is much lower than that form pyrolysis, while that of inertinite tar changes a little. The difference of tar compositions and relative content during pyrolysis and hydropyrolysis reflects the effect of hydrogenation and hydrocracking reactions and the structure characteristics of the macerals. 12 refs., 3 figs.

  12. Modeling Human Exposure Levels to Airborne Volatile Organic Compounds by the Hebei Spirit Oil Spill

    OpenAIRE

    Kim, Jong Ho; Kwak, Byoung Kyu; Ha, Mina; Cheong, Hae-Kwan; Yi, Jongheop

    2012-01-01

    Objectives The goal was to model and quantify the atmospheric concentrations of volatile organic compounds (VOCs) as the result of the Hebei Spirit oil spill, and to predict whether the exposure levels were abnormally high or not. Methods We developed a model for calculating the airborne concentration of VOCs that are produced in an oil spill accident. The model was applied to a practical situation, namely the Hebei Spirit oil spill. The accuracy of the model was verified by comparing the res...

  13. The Dangling model in the construction of compound sentences with regard to verb tenses

    Directory of Open Access Journals (Sweden)

    Mahmoud Mehravaran

    2016-02-01

    the mistakes of some of the grammars. This research project has for the first time introduced constructive models of compound sentences in a comprehensive research taking in to account the tense of the verbs. The primary question in this research project is which kind of sentences can be considered as compound and what is the constructive of such a sentence? When defining a compound sentences, grammarians either shave the same beliefs or differ in their ideas. But all grammarians agree to the fact that a compound sentences has more than one verb. Different definitions are due to different criteria adapted in constructing a compound sentences. To construct a noun, and adjective, a verb and a sentence we should take similar and precise criteria to our consideration. In the grammatical units of noun, adjectives, and verbs construction means connecting two or more parts that can convey one similar meaning and its parts are dependent upon one another.  In the construction of compound sentences there must be the same criteria so that its applications can be truly recognized and identified just like the previously mentioned grammatical units. The first step to arrive at a criterion in defining and identifying compound sentences, is to separate this discussion from connective sentences that are relate to each other with connectives are called connective sentences. But sentences which are constructed with dependent making connectives and their parts are dependent upon one another are called compound sentences. Therefore the signs of compound sentences with regard to constructions and the meaning of criterion are as follows: 1 They have more than one verb. 2 The consistence of two or more dependent phrases. 3 Phrases construct a complete sentences all together and convey one similar message. 4 One of the phrases is the main clause and the other one is the subordinate one. 5 The phrases or subordinate clauses can be related to one of the major parts and they can take a

  14. The Dangling model in the construction of compound sentences with regard to verb tenses

    Directory of Open Access Journals (Sweden)

    Mahmoud Mehravaran

    2016-01-01

    the mistakes of some of the grammars. This research project has for the first time introduced constructive models of compound sentences in a comprehensive research taking in to account the tense of the verbs. The primary question in this research project is which kind of sentences can be considered as compound and what is the constructive of such a sentence? When defining a compound sentences, grammarians either shave the same beliefs or differ in their ideas. But all grammarians agree to the fact that a compound sentences has more than one verb. Different definitions are due to different criteria adapted in constructing a compound sentences. To construct a noun, and adjective, a verb and a sentence we should take similar and precise criteria to our consideration. In the grammatical units of noun, adjectives, and verbs construction means connecting two or more parts that can convey one similar meaning and its parts are dependent upon one another.  In the construction of compound sentences there must be the same criteria so that its applications can be truly recognized and identified just like the previously mentioned grammatical units. The first step to arrive at a criterion in defining and identifying compound sentences, is to separate this discussion from connective sentences that are relate to each other with connectives are called connective sentences. But sentences which are constructed with dependent making connectives and their parts are dependent upon one another are called compound sentences. Therefore the signs of compound sentences with regard to constructions and the meaning of criterion are as follows: 1 They have more than one verb. 2 The consistence of two or more dependent phrases. 3 Phrases construct a complete sentences all together and convey one similar message. 4 One of the phrases is the main clause and the other one is the subordinate one. 5 The phrases or subordinate clauses can be related to one of the major parts and they can take a

  15. The effects of higher cigarette prices on tar and nicotine consumption in a cohort of adult smokers.

    Science.gov (United States)

    Farrelly, M C; Nimsch, C T; Hyland, A; Cummings, M

    2004-01-01

    The objective of this paper is to estimate the demand for tar and nicotine in cigarettes as a function of cigarette prices in a cohort of cigarette 11,966 smokers followed for 5 years. Data for the analysis come from a longitudinal telephone survey of 11,966 smokers who were interviewed in 1988 and 1993 as part of the Community Intervention Trial for Smoking Cessation (COMMIT). Separate models are estimated for three age groups to account for differences in levels of addiction and brand loyalty across age. We found that smokers respond to higher cigarette prices by reducing the number of cigarettes smoked per day but also by switching to cigarettes that are higher in tar and nicotine per cigarette. Copyright 2003 John Wiley & Sons, Ltd.

  16. Determination of the n-octanol/water partition coefficients of weakly ionizable basic compounds by reversed-phase high-performance liquid chromatography with neutral model compounds.

    Science.gov (United States)

    Liang, Chao; Han, Shu-ying; Qiao, Jun-qin; Lian, Hong-zhen; Ge, Xin

    2014-11-01

    A strategy to utilize neutral model compounds for lipophilicity measurement of ionizable basic compounds by reversed-phase high-performance liquid chromatography is proposed in this paper. The applicability of the novel protocol was justified by theoretical derivation. Meanwhile, the linear relationships between logarithm of apparent n-octanol/water partition coefficients (logKow '') and logarithm of retention factors corresponding to the 100% aqueous fraction of mobile phase (logkw ) were established for a basic training set, a neutral training set and a mixed training set of these two. As proved in theory, the good linearity and external validation results indicated that the logKow ''-logkw relationships obtained from a neutral model training set were always reliable regardless of mobile phase pH. Afterwards, the above relationships were adopted to determine the logKow of harmaline, a weakly dissociable alkaloid. As far as we know, this is the first report on experimental logKow data for harmaline (logKow = 2.28 ± 0.08). Introducing neutral compounds into a basic model training set or using neutral model compounds alone is recommended to measure the lipophilicity of weakly ionizable basic compounds especially those with high hydrophobicity for the advantages of more suitable model compound choices and convenient mobile phase pH control. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. An elemental model of retrospective revaluation without within-compound associations.

    Science.gov (United States)

    Connor, Patrick C; Lolordo, Vincent M; Trappenberg, Thomas P

    2014-03-01

    When retrospective revaluation phenomena (e.g., unovershadowing: AB+, then A-, then test B) were discovered, simple elemental models were at a disadvantage because they could not explain such phenomena. Extensions of these models and novel models appealed to within-compound associations to accommodate these new data. Here, we present an elemental, neural network model of conditioning that explains retrospective revaluation apart from within-compound associations. In the model, previously paired stimuli (say, A and B, after AB+) come to activate similar ensembles of neurons, so that revaluation of one stimulus (A-) has the opposite effect on the other stimulus (B) through changes (decreases) in the strength of the inhibitory connections between neurons activated by B. The ventral striatum is discussed as a possible home for the structure and function of the present model.

  18. Do increases in cigarette prices lead to increases in sales of cigarettes with high tar and nicotine yields?

    Science.gov (United States)

    Farrelly, Matthew C; Loomis, Brett R; Mann, Nathan H

    2007-10-01

    We used scanner data on cigarette prices and sales collected from supermarkets across the United States from 1994 to 2004 to test the hypothesis that cigarette prices are positively correlated with sales of cigarettes with higher tar and nicotine content. During this period the average inflation-adjusted price for menthol cigarettes increased 55.8%. Price elasticities from multivariate regression models suggest that this price increase led to an increase of 1.73% in sales-weighted average tar yields and a 1.28% increase in sales-weighted average nicotine yields for menthol cigarettes. The 50.5% price increase of nonmenthol varieties over the same period yielded an estimated increase of 1% in tar per cigarette but no statistically significant increase in nicotine yields. An ordered probit model of the impact of cigarette prices on cigarette strength (ultra-light, light, full flavor, unfiltered) offers an explanation: As cigarette prices increase, the probability that stronger cigarette types will be sold increases. This effect is larger for menthol than for nonmenthol cigarettes. Our results are consistent with earlier population-based cross-sectional and longitudinal studies showing that higher cigarette prices and taxes are associated with increasing consumption of higher-yield cigarettes by smokers.

  19. Pelagic tar and plastic in the Gulf of Alaska and Bering Sea: 1975

    Energy Technology Data Exchange (ETDEWEB)

    Shaw, D G

    1977-07-01

    Seventy-one tows of 740 m/sup 2/ each were made in search of pelagic tar and plastics in the Gulf of Alaska and Bering Sea during the period October 1974 to October 1975. Tar was observed on nine occasions while plastics were found six times. The arithmetic mean value of tar abundance, 3.3 x 10/sup -3/ mg/m/sup 2/, is considerably lower than most other oceanic areas for which values have been reported. Gas chromatographic analysis of this tar indicates that it is more extensively weathered than tar from the north Atlantic. An estimate of the abundance of tar lumps too small to be sampled by net tows is made based on the assumption that there are equal weights of particles in logarithmetically equal size intervals. The abundance of pelagic plastics is also low.

  20. A compound memristive synapse model for statistical learning through STDP in spiking neural networks

    Directory of Open Access Journals (Sweden)

    Johannes eBill

    2014-12-01

    Full Text Available Memristors have recently emerged as promising circuit elements to mimic the function of biological synapses in neuromorphic computing. The fabrication of reliable nanoscale memristive synapses, that feature continuous conductance changes based on the timing of pre- and postsynaptic spikes, has however turned out to be challenging. In this article, we propose an alternative approach, the compound memristive synapse, that circumvents this problem by the use of memristors with binary memristive states. A compound memristive synapse employs multiple bistable memristors in parallel to jointly form one synapse, thereby providing a spectrum of synaptic efficacies. We investigate the computational implications of synaptic plasticity in the compound synapse by integrating the recently observed phenomenon of stochastic filament formation into an abstract model of stochastic switching. Using this abstract model, we first show how standard pulsing schemes give rise to spike-timing dependent plasticity (STDP with a stabilizing weight dependence in compound synapses. In a next step, we study unsupervised learning with compound synapses in networks of spiking neurons organized in a winner-take-all architecture. Our theoretical analysis reveals that compound-synapse STDP implements generalized Expectation-Maximization in the spiking network. Specifically, the emergent synapse configuration represents the most salient features of the input distribution in a Mixture-of-Gaussians generative model. Furthermore, the network’s spike response to spiking input streams approximates a well-defined Bayesian posterior distribution. We show in computer simulations how such networks learn to represent high-dimensional distributions over images of handwritten digits with high fidelity even in presence of substantial device variations and under severe noise conditions. Therefore, the compound memristive synapse may provide a synaptic design principle for future neuromorphic

  1. A compound memristive synapse model for statistical learning through STDP in spiking neural networks.

    Science.gov (United States)

    Bill, Johannes; Legenstein, Robert

    2014-01-01

    Memristors have recently emerged as promising circuit elements to mimic the function of biological synapses in neuromorphic computing. The fabrication of reliable nanoscale memristive synapses, that feature continuous conductance changes based on the timing of pre- and postsynaptic spikes, has however turned out to be challenging. In this article, we propose an alternative approach, the compound memristive synapse, that circumvents this problem by the use of memristors with binary memristive states. A compound memristive synapse employs multiple bistable memristors in parallel to jointly form one synapse, thereby providing a spectrum of synaptic efficacies. We investigate the computational implications of synaptic plasticity in the compound synapse by integrating the recently observed phenomenon of stochastic filament formation into an abstract model of stochastic switching. Using this abstract model, we first show how standard pulsing schemes give rise to spike-timing dependent plasticity (STDP) with a stabilizing weight dependence in compound synapses. In a next step, we study unsupervised learning with compound synapses in networks of spiking neurons organized in a winner-take-all architecture. Our theoretical analysis reveals that compound-synapse STDP implements generalized Expectation-Maximization in the spiking network. Specifically, the emergent synapse configuration represents the most salient features of the input distribution in a Mixture-of-Gaussians generative model. Furthermore, the network's spike response to spiking input streams approximates a well-defined Bayesian posterior distribution. We show in computer simulations how such networks learn to represent high-dimensional distributions over images of handwritten digits with high fidelity even in presence of substantial device variations and under severe noise conditions. Therefore, the compound memristive synapse may provide a synaptic design principle for future neuromorphic architectures.

  2. Modeling of iodine radiation chemistry in the presence of organic compounds

    International Nuclear Information System (INIS)

    Taghipour, Fariborz; Evans, Greg J.

    2002-01-01

    A kinetic-based model was developed that simulates the radiation chemistry of iodine in the presence of organic compounds. The model's mechanistic description of iodine chemistry and generic semi-mechanistic reactions for various classes of organics, provided a reasonable representation of experimental results. The majority of the model and experimental results of iodine volatilization rates were in agreement within an order of magnitude

  3. Structural determinants of HIV-1 nucleocapsid protein for cTAR DNA binding and destabilization, and correlation with inhibition of self-primed DNA synthesis.

    Science.gov (United States)

    Beltz, Hervé; Clauss, Céline; Piémont, Etienne; Ficheux, Damien; Gorelick, Robert J; Roques, Bernard; Gabus, Caroline; Darlix, Jean-Luc; de Rocquigny, Hugues; Mély, Yves

    2005-05-20

    The nucleocapsid protein (NC) of human immunodeficiency virus type 1 (HIV-1) is formed of two highly conserved CCHC zinc fingers flanked by small basic domains. NC is required for the two obligatory strand transfers in viral DNA synthesis through its nucleic acid chaperoning properties. The first DNA strand transfer relies on NC's ability to bind and destabilize the secondary structure of complementary transactivation response region (cTAR) DNA, to inhibit self-priming, and to promote the annealing of cTAR to TAR RNA. To further investigate NC chaperone properties, our aim was to identify by fluorescence spectroscopy and gel electrophoresis, the NC structural determinants for cTAR binding and destabilization, and for the inhibition of self-primed DNA synthesis on a model system using a series of NC mutants and HIV-1 reverse transcriptase. NC destabilization and self-priming inhibition properties were found to be supported by the two fingers in their proper context and the basic (29)RAPRKKG(35) linker. The strict requirement of the native proximal finger suggests that its hydrophobic platform (Val13, Phe16, Thr24 and Ala25) is crucial for binding, destabilization and inhibition of self-priming. In contrast, only partial folding of the distal finger is required, probably for presenting the Trp37 residue in an appropriate orientation. Also, Trp37 and the hydrophobic residues of the proximal finger appear to be essential for the propagation of the melting from the cTAR ends up to the middle of the stem. Finally, both N-terminal and C-terminal basic domains contribute to cTAR binding but not to its destabilization.

  4. Contact sensitivity to newsprint: a rare manifestation of coal tar allergy

    Energy Technology Data Exchange (ETDEWEB)

    Illchyshyn, A; Cartwright, P H; Smith, A G

    1987-07-01

    Contact dermatitis due to coal tar is infrequently reported in spite of the fact that it consists of a mixture of 10,000 constituents, and is still often used to treat both eczema and psoriasis. Discusses patient with coal tar sensitivity in whom the source of exacerbation of her dermatitis is shown to be newsprint, a common product containing coal tar-derived material. 6 refs.

  5. Phosphorus sorption on marine carbonate sediment: phosphonate as model organic compounds.

    Science.gov (United States)

    Huang, Xiao-Lan; Zhang, Jia-Zhong

    2011-11-01

    Organophosphonate, characterized by the presence of a stable, covalent, carbon to phosphorus (C-P) bond, is a group of synthetic or biogenic organophosphorus compounds. The fate of these organic phosphorus compounds in the environment is not well studied. This study presents the first investigation on the sorption of phosphorus (P) in the presence of two model phosphonate compounds, 2-aminothylphosphonoic acid (2-AEP) and phosphonoformic acid (PFA), on marine carbonate sediments. In contrast to other organic P compounds, no significant inorganic phosphate exchange was observed in seawater. P was found to adsorb on the sediment only in the presence of PFA, not 2-AEP. This indicated that sorption of P from phosphonate on marine sediment was compound specific. Compared with inorganic phosphate sorption on the same sediments, P sorption from organic phosphorus is much less in the marine environment. Further study is needed to understand the potential role of the organophosphonate compounds in biogeochemical cycle of phosphorus in the environment. Copyright © 2011 Elsevier Ltd. All rights reserved.

  6. Exploring sources of biogenic secondary organic aerosol compounds using chemical analysis and the FLEXPART model

    Directory of Open Access Journals (Sweden)

    J. Martinsson

    2017-09-01

    Full Text Available Molecular tracers in secondary organic aerosols (SOAs can provide information on origin of SOA, as well as regional scale processes involved in their formation. In this study 9 carboxylic acids, 11 organosulfates (OSs and 2 nitrooxy organosulfates (NOSs were determined in daily aerosol particle filter samples from Vavihill measurement station in southern Sweden during June and July 2012. Several of the observed compounds are photo-oxidation products from biogenic volatile organic compounds (BVOCs. Highest average mass concentrations were observed for carboxylic acids derived from fatty acids and monoterpenes (12. 3 ± 15. 6 and 13. 8 ± 11. 6 ng m−3, respectively. The FLEXPART model was used to link nine specific surface types to single measured compounds. It was found that the surface category sea and ocean was dominating the air mass exposure (56 % but contributed to low mass concentration of observed chemical compounds. A principal component (PC analysis identified four components, where the one with highest explanatory power (49 % displayed clear impact of coniferous forest on measured mass concentration of a majority of the compounds. The three remaining PCs were more difficult to interpret, although azelaic, suberic, and pimelic acid were closely related to each other but not to any clear surface category. Hence, future studies should aim to deduce the biogenic sources and surface category of these compounds. This study bridges micro-level chemical speciation to air mass surface exposure at the macro level.

  7. Coliquefaction of coal, tar sand bitumen and plastic (interaction among coal, bitumen and plastic); Sekitan/tar sand bitumen/plastic no kyoekika ni okeru kyozon busshitsu no eikyo

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, H.; Okuyama, Y.; Matsubara, K. [NKK Corp., Tokyo (Japan); Kamo, T.; Sato, Y. [National Institute for Resources and Environment, Tsukuba (Japan)

    1996-10-28

    For the improvement of economy, coliquefaction of coal, tar sand bitumen and plastic was performed under low hydrogen pressure, to investigate the influence of interaction among these on the liquefaction characteristics. For comparison, coliquefaction was also performed under the hydrogen pressure same as the NEDOL process. In addition, for clarifying its reaction mechanism, coliquefaction of dibenzyl and plastic was performed as a model experiment, to illustrate the distribution of products and composition of oil, and to discuss the interaction between dibenzyl and various plastics, and between various plastics. Under direct coal liquefaction conditions, coprocessing of Tanito Harum coal, Athabasca tar sand and plastic was carried out under low hydrogen pressure with an autoclave. The observed value of oil yield was higher than the calculated value based on the values from separate liquefaction of coal and plastic, which suggested the interaction between coal and the mixed plastic. The results of coliquefaction of coal, tar sand bitumen and plastic could be explained from the obtained oil yield and its composition by the coliquefaction of dibenzyl and plastic. 2 refs., 3 tabs.

  8. Publicly available models to predict normal boiling point of organic compounds

    International Nuclear Information System (INIS)

    Oprisiu, Ioana; Marcou, Gilles; Horvath, Dragos; Brunel, Damien Bernard; Rivollet, Fabien; Varnek, Alexandre

    2013-01-01

    Quantitative structure–property models to predict the normal boiling point (T b ) of organic compounds were developed using non-linear ASNNs (associative neural networks) as well as multiple linear regression – ISIDA-MLR and SQS (stochastic QSAR sampler). Models were built on a diverse set of 2098 organic compounds with T b varying in the range of 185–491 K. In ISIDA-MLR and ASNN calculations, fragment descriptors were used, whereas fragment, FPTs (fuzzy pharmacophore triplets), and ChemAxon descriptors were employed in SQS models. Prediction quality of the models has been assessed in 5-fold cross validation. Obtained models were implemented in the on-line ISIDA predictor at (http://infochim.u-strasbg.fr/webserv/VSEngine.html)

  9. Assessment of ground-water contamination by coal-tar derivatives, St. Louis Park area, Minnesota

    Science.gov (United States)

    Hult, M.F.

    1984-01-01

    Operation of a coal-tar distillation and wood-preserving facility in St. Louis Park, Minnesota, during 1918-72 contaminated ground water with coal-tar derivatives and inorganic chemicals. Coal-tar derivatives entered the groundwater system through three major paths: (1) Spills and drippings that percolated to the water table, (2) surface runoff and plant process water that was discharged to wetlands south of the former plant site, and (3) movement of coal tar directly into bedrock aquifers through a multiaquifer well on the site.

  10. Dermal uptake of polycyclic aromatic hydrocarbons after hairwash with coal-tar shampoo

    Energy Technology Data Exchange (ETDEWEB)

    Schooten, F.-J. van; Moonen, E.J.C.; Rhijnsburger, E.; Agen, B. van; Thijssen, H.H.W.; Kleinjans, J.C.S. [University of Limburg, Maastricht (Netherlands). Dept. of Health Risk Analysis and Toxicology

    1994-11-26

    Describes an experiment to assess the dermal uptake of polycyclic aromatic hydrocarbons (PAHs) after hairwashing with coal tar antidandruff shampoo. The urinary excretion of 1-hydroxypyrene (1-OH-P), a PAH metabolile was used to assess internal dose of PAH. A single use of coal tar shampoo resulted in increased 1-OH-P excretion in all members of the experimental group compared with the control group using a non-coal tar antidandruff shampoo. It is suggested that repeated use of coal tar shampoo would result in a high internal dose of carcinogenic PAH. 5 refs., 1 fig.

  11. Ozonisation of model compounds as a pretreatment step for the biological wastewater treatment

    International Nuclear Information System (INIS)

    Degen, U.

    1979-11-01

    Biological degradability and toxicity of organic substances are two basic criteria determining their behaviour in natural environment and during the biological treatment of waste waters. In this work oxidation products of model compounds (p-toluenesulfonic acid, benzenesulfonic acid and aniline) generated by ozonation were tested in a two step laboratory plant with activated sludge. The organic oxidation products and the initial compounds were the sole source of carbon for the microbes of the adapted activated sludge. The progress of elimination of the compounds was studied by measuring DOC, COD, UV-spectra of the initial compounds and sulfate. Initial concentrations of the model compounds were 2-4 mmole/1 with 25-75ion of sulfonic acids. As oxidation products of p-toluenesulfonic acid the following compounds were identified and quantitatively measured: methylglyoxal, pyruvic acid, oxalic acid, acetic acid, formic acid and sulfate. With all the various solutions with different concentrations of initial compounds and oxidation products the biological activity in the two step laboratory plant could maintain. p-Toluenesulfonic acid and the oxidation products are biologically degraded. The degradation of p-toluenesulfonic acid is measured by following the increasing of the sulfate concentration after biological treatment. This shows that the elimination of p-toluenesulfonic acid is not an adsorption but a mineralization step. At high p-toluenesulfonic acid concentration and low concentration of oxidation products p-toluenesulfonic acid is eliminated with a high efficiency (4.3 mole/d m 3 = 0.34 kg p-toluenesulfonic acid/d m 3 ). However at high concentration of oxidation products p-toluenesulfonic acid is less degraded. The oxidation products are always degraded with an elimination efficiency of 70%. A high load of biologically degradable oxidation products diminished the elimination efficiency of p-toluenesulfonic acid. (orig.) [de

  12. Effects of membrane composition on release of model hydrophilic compound from osmotic delivery systems.

    Science.gov (United States)

    Ozdemir, N; Ozalp, Y; Ozkan, Y

    2000-01-01

    In this study, the effects of surface-active agents in different types and concentrations, added into the coating solution, on release of model hydrophilic compound have been examined. For this purpose, the tablets, prepared with the use of methylene blue as a model substance, were coated by spray coating technique with cellulose acetate solution containing polyethylene glycol 400 as a plasticizer. In addition, cetylpyridinium chloride as cationic surface-active agent and sodium lauryl sulphate as anionic surface-active agent were added into coating solution in different concentrations. After creating a delivery orifice by a microdrill on the tablets, release of model hydrophilic compound was tested by the USP paddle method. The data obtained were evaluated according to the different kinetics and the mechanism of release from the preparations was examined. The surface properties of the coating material were investigated by scanning electron microscope taken before and after the contact with medium fluid, as well as the mechanical properties by tensile tests. In conclusion, it has been found that the cationic surface active agent, cetylpyridinium chloride reduced the lag time, observed during the release of model hydrophilic compound, as a result of its enhancing effect on wettability of tablets by reducing the contact angle between the medium fluid and the coating material. On the other hand, the anionic surface active agent, sodium lauryl sulphate has been inactivated possibly due to the interaction with model hydrophilic compound that has cationic properties and/or substances contained in membrane composition; thus, the lag time has not decreased and furthermore, a significant decrease in the delivery rate of model hydrophilic compound has been observed.

  13. Utilization of biomass: Conversion of model compounds to hydrocarbons over zeolite H-ZSM-5

    DEFF Research Database (Denmark)

    Mentzel, Uffe Vie; Holm, Martin Spangsberg

    2011-01-01

    Zeolite catalyzed deoxygenation of small oxygenates present in bio-oil or selected as model compounds was performed under Methanol-to-Hydrocarbons (MTH) like reaction conditions using H-ZSM-5 as the catalyst. Co-feeding of the oxygenates with methanol generally decreases catalyst lifetime due...

  14. Absorption tuning of the green fluorescent protein chromophore: synthesis and studies of model compounds

    DEFF Research Database (Denmark)

    Brøndsted Nielsen, Mogens; Andersen, Lars Henrik; Rinza, Tomás Rocha

    2011-01-01

    The green fluorescent protein (GFP) chromophore is a heterocyclic compound containing a p-hydroxybenzylidine attached to an imidazol-5(4H)-one ring. This review covers the synthesis of a variety of model systems for elucidating the intrinsic optical properties of the chromophore in the gas phase ...

  15. Equation of state for neutron matter in the Quark Compound Bag model

    Science.gov (United States)

    Krivoruchenko, M. I.

    2017-11-01

    The equation of state for neutron matter is derived in the framework of the Quark Compound Bag model, in which the nucleon-nucleon interaction is generated by the s-channel exchange of six-quark Jaffe-Low primitives.

  16. Compound waves in a higher order nonlinear model of thermoviscous fluids

    DEFF Research Database (Denmark)

    Rønne Rasmussen, Anders; Sørensen, Mads Peter; Gaididei, Yuri B.

    2016-01-01

    A generalized traveling wave ansatz is used to investigate compound shock waves in a higher order nonlinear model of a thermoviscous fluid. The fluid velocity potential is written as a traveling wave plus a linear function of space and time. The latter offers the possibility of predicting...

  17. The Action of Chain Extenders in Nylon-6, PET, and Model Compounds

    NARCIS (Netherlands)

    Loontjens, T.; Pauwels, K.; Derks, F.; Neilen, M.; Sham, C.K.; Serné, M.

    1997-01-01

    The action of two complementary chain extenders is studied in model systems as well as in poly(ethylene terephthalate) (PET) and nylon–6. Chain extenders are low molecular weight compounds that can be used to increase the molecular weight of polymers in a short time. The reaction must preferably be

  18. Hazard rate model and statistical analysis of a compound point process

    Czech Academy of Sciences Publication Activity Database

    Volf, Petr

    2005-01-01

    Roč. 41, č. 6 (2005), s. 773-786 ISSN 0023-5954 R&D Projects: GA ČR(CZ) GA402/04/1294 Institutional research plan: CEZ:AV0Z10750506 Keywords : couting process * compound process * Cox regression model * intensity Subject RIV: BB - Applied Statistics, Operational Research Impact factor: 0.343, year: 2005

  19. Computational results on the compound binomial risk model with nonhomogeneous claim occurrences

    NARCIS (Netherlands)

    Tuncel, A.; Tank, F.

    2013-01-01

    The aim of this paper is to give a recursive formula for non-ruin (survival) probability when the claim occurrences are nonhomogeneous in the compound binomial risk model. We give recursive formulas for non-ruin (survival) probability and for distribution of the total number of claims under the

  20. Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

    Science.gov (United States)

    Wang, Lihua

    2012-01-01

    A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

  1. Decomposition of lignin model compounds by Lewis acid catalysts in water and ethanol

    NARCIS (Netherlands)

    Guvenatam, Burcu; Heeres, Erik H.J.; Pidko, Evgeny A.; Hensen, Emiel J. M.

    2015-01-01

    The conversion of benzyl phenyl ether, diphenyl ether, diphenyl methane and biphenyl as representative model compounds for alpha-O-4, 5-O-4, alpha(1) (methylene bridges) and 5-5' lignin linkages was investigated. We compared the use of metal chlorides and acetates. The reactions were studied in sub-

  2. Adsorption of selected pharmaceuticals and an endocrine disrupting compound by granular activated carbon. 2. Model prediction

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Z.; Peldszus, S.; Huck, P.M. [University of Waterloo, Waterloo, ON (Canada). NSERC Chair in Water Treatment

    2009-03-01

    The adsorption of two representative pharmaceutically active compounds (PhACs) naproxen and carbamazepine and one endocrine disrupting compound (EDC) nonylphenol was studied in pilot-scale granular activated carbon (GAC) adsorbers using post-sedimentation (PS) water from a full-scale drinking water treatment plant. The GAC adsorbents were coal-based Calgon Filtrasorb 400 and coconut shell-based PICA CTIF TE. Acidic naproxen broke through fastest while nonylphenol was removed best, which was consistent with the degree to which fouling affected compound removals. Model predictions and experimental data were generally in good agreement for all three compounds, which demonstrated the effectiveness and robustness of the pore and surface diffusion model (PSDM) used in combination with the time-variable parameter approach for predicting removals at environmentally relevant concentrations (i.e., ng/L range). Sensitivity analyses suggested that accurate determination of film diffusion coefficients was critical for predicting breakthrough for naproxen and carbamazepine, in particular when high removals are targeted. Model simulations demonstrated that GAC carbon usage rates (CURs) for naproxen were substantially influenced by the empty bed contact time (EBCT) at the investigated conditions. Model-based comparisons between GAC CURs and minimum CURs for powdered activated carbon (PAC) applications suggested that PAC would be most appropriate for achieving 90% removal of naproxen, whereas GAC would be more suitable for nonylphenol. 25 refs., 4 figs., 1 tab.

  3. Structural and dynamic characterization of the upper part of the HIV-1 cTAR DNA hairpin

    OpenAIRE

    Zargarian, Loussin?; Kanevsky, Igor; Bazzi, Ali; Boynard, Jonathan; Chaminade, Fran?oise; Foss?, Philippe; Mauffret, Olivier

    2009-01-01

    First strand transfer is essential for HIV-1 reverse transcription. During this step, the TAR RNA hairpin anneals to the cTAR DNA hairpin; this annealing reaction is promoted by the nucleocapsid protein and involves an initial loop?loop interaction between the apical loops of TAR and cTAR. Using NMR and probing methods, we investigated the structural and dynamic properties of the top half of the cTAR DNA (mini-cTAR). We show that the upper stem located between the apical and the internal loop...

  4. General toxic effects of shale tars on the human body

    Energy Technology Data Exchange (ETDEWEB)

    Kahn, H; Sillam, A

    1972-01-01

    Of 115 workers in close contact with oil shale tars, 80 percent complained of headache, fatigue, and stomach aches. Vegetative dystonia, asthenovegetative, or asthenic syndromes were diagnosed in 32 percent of the cases. An excessive excretion of free phenols was found in the urine of 13 percent of the patients and an excess of sulfates and coproporphyrin in 27 and 29 percent, respectively. The statistical analysis of clinical data indicates a relation to biochemical changes. The immunological reactivity studies showed that in 60 percent of the cases the immunological resistance decreased markedly.

  5. Kinetic analysis of polyoxometalate (POM) oxidation of non-phenolic lignin model compound

    Science.gov (United States)

    Tomoya Yokoyama; Hou-min Chang; Ira A. Weinstock; Richard S. Reiner; John F. Kadla

    2003-01-01

    Kinetic and reaction mechanism of non-phenolic lignin model compounds under anaerobic polyoxometalate (POM), Na5(+1.9)[SiV1(-0.1)MoW10(+0.1) 40], bleaching conditions were examined. Analyses using a syringyl type model, 1-(3,4,5-trimethoxyphenyl)ethanol (1), a guaiacyl type, 1-(3,4- imethoxyphenyl)ethanol (2), and 1- (4-ethoxy-3,5-dimethoxyphenyl)ethanol (3) suggest...

  6. Stochastic Interest Model Based on Compound Poisson Process and Applications in Actuarial Science

    OpenAIRE

    Li, Shilong; Yin, Chuancun; Zhao, Xia; Dai, Hongshuai

    2017-01-01

    Considering stochastic behavior of interest rates in financial market, we construct a new class of interest models based on compound Poisson process. Different from the references, this paper describes the randomness of interest rates by modeling the force of interest with Poisson random jumps directly. To solve the problem in calculation of accumulated interest force function, one important integral technique is employed. And a conception called the critical value is introduced to investigat...

  7. The MCRA model for probabilistic single-compound and cumulative risk assessment of pesticides.

    Science.gov (United States)

    van der Voet, Hilko; de Boer, Waldo J; Kruisselbrink, Johannes W; Goedhart, Paul W; van der Heijden, Gerie W A M; Kennedy, Marc C; Boon, Polly E; van Klaveren, Jacob D

    2015-05-01

    Pesticide risk assessment is hampered by worst-case assumptions leading to overly pessimistic assessments. On the other hand, cumulative health effects of similar pesticides are often not taken into account. This paper describes models and a web-based software system developed in the European research project ACROPOLIS. The models are appropriate for both acute and chronic exposure assessments of single compounds and of multiple compounds in cumulative assessment groups. The software system MCRA (Monte Carlo Risk Assessment) is available for stakeholders in pesticide risk assessment at mcra.rivm.nl. We describe the MCRA implementation of the methods as advised in the 2012 EFSA Guidance on probabilistic modelling, as well as more refined methods developed in the ACROPOLIS project. The emphasis is on cumulative assessments. Two approaches, sample-based and compound-based, are contrasted. It is shown that additional data on agricultural use of pesticides may give more realistic risk assessments. Examples are given of model and software validation of acute and chronic assessments, using both simulated data and comparisons against the previous release of MCRA and against the standard software DEEM-FCID used by the Environmental Protection Agency in the USA. It is shown that the EFSA Guidance pessimistic model may not always give an appropriate modelling of exposure. Crown Copyright © 2014. Published by Elsevier Ltd. All rights reserved.

  8. Uniform angular overlap model interpretation of the crystal field effect in U(5+) fluoride compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gajek, Z.; Mulak, J. (W. Trzebiatowski Inst. of Low Temperature and Structure Research, Polish Academy of Sciences, Wroclaw (Poland))

    1990-11-01

    The uniform interpretation of the crystal field effect in three different U(5+) fluoride compounds: CsUF{sub 6}, {alpha}-UF{sub 5} and {beta}-UF{sub 5} within the angular overlap model (AOM) is given. Some characteristic relations between the AOM parameters and their distance dependencies resulting from ab initio calculations are introduced and examined from a phenomenological point of view. The traditional simplest approach with only one independent parameter, i.e. e{sub {sigma}} with e{sub {pi}}:e{sub {sigma}} = 0.32 and e{sub {delta}} = 0, is shown to provide a consistent interpretation of the crystal field effect of the whole class of the compounds. The parameters obtained for one compound are easily and successfully extrapolated to others. The specificity and importance of the e{sub {delta}} parameter for 5f{sup 1} systems is discussed. (orig.).

  9. PFB air gasification of biomass. Investigation of product formation and problematic issues related to ammonia, tar and alkali

    Energy Technology Data Exchange (ETDEWEB)

    Padban, Nader

    2000-09-01

    Fluidised bed thermal gasification of biomass is an effective route that results in 100 % conversion of the fuel. In contrast to chemical, enzymatic or anaerobic methods of biomass treatment, the thermal conversion leaves no contaminated residue after the process. The product gas evolved within thermal conversion can be used in several applications such as: fuel for gas turbines, combustion engines and fuel cells, and raw material for production of chemicals and synthetic liquid fuels. This thesis treats a part of the experimental data from two different gasifiers: a 90 kW{sub th} pressurised fluidised bubbling bed gasifier at Lund University and a 18 MW{sub th} circulating fluidised bed gasifier integrated with gas turbine (IGCC) in Vaernamo. A series of parallel and consecutive chemical reactions is involved in thermal gasification, giving origin to formation of a variety of products. These products can be classified within three major groups: gases, tars and oils, and char. The proportion of these categories of species in the final product is a matter of the gasifier design and the process parameters. The thesis addresses the technical and theoretical aspects of the biomass thermochemical conversion and presents a new approach in describing the gasification reactions. There is an evidence of fuel effect on the characteristics of the final products: a mixture of plastic waste (polyethylene) and biomass results in higher concentration of linear hydrocarbons in the gas than gasification of pure biomass. Mixing the biomass with textile waste (containing aromatic structure) results in a high degree of formation of aromatic compounds and light tars. Three topic questions within biomass gasification, namely: tar, NO{sub x} and alkali are discussed in the thesis. The experimental results show that gasification at high ER or high temperature decreases the total amount of the tars and simultaneously reduces the contents of the oxygenated and alkyl-substituted poly

  10. In situ solidification/stabilization pilot study for the treatment of coal tar contaminated soils and river sediments

    International Nuclear Information System (INIS)

    Lawson, M.A.; Venn, J.G.; Pugh, L.B.; Vallis, T.

    1996-01-01

    Coal tar contamination was encountered at a former coal gasification site in soils below the groundwater table, and in the sediments of the adjacent river. Ex situ remediation techniques at this site would be costly because of the need to dewater the impacted media. In situ solidification/stabilization was tested to evaluate its effectiveness. Treatability testing was performed to evaluate a Portland cement/fly ash binder system with added stabilizing agents. Results were sufficiently promising to warrant pilot testing. Grout containing Portland cement, fly ash, organically modified clay, and granular activated carbon was pilot tested at the site. Test specimens were collected and tested to evaluate durability, compressive strength, and permeability. The samples were extracted by several methods and analyzed to measure the leachable concentrations of organic compounds and metals. Results indicated acceptable physical characteristics. Leachable concentrations of most polynuclear aromatic compounds were decreased

  11. Trace metals in heavy crude oils and tar sand bitumens

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, J.G.

    1990-11-28

    Fe, Ni, and V are considered trace impurities in heavy crude oils and tar sand bitumens. In order to understand the importance of these metals, we have examined several properties: (1) bulk metals levels, (2) distribution in separated fractions, (3) size behavior in feeds and during processing, (4) speciation as a function of size, and (5) correlations with rheological properties. Some of the results of these studies show: (1) V and Ni have roughly bimodal size distributions, (2) groupings were seen based on location, size distribution, and Ni/V ratio of the sample, (3) Fe profiles are distinctively different, having a unimodal distribution with a maximum at relatively large molecular size, (4) Fe concentrations in the tar sand bitumens suggest possible fines solubilization in some cases, (5) SARA separated fractions show possible correlations of metals with asphaltene properties suggesting secondary and tertiary structure interactions, and (6) ICP-MS examination for soluble ultra-trace metal impurities show the possibility of unexpected elements such as U, Th, Mo, and others at concentrations in the ppB to ppM range. 39 refs., 13 figs., 5 tabs.

  12. Acute toxicity of birch tar oil on aquatic organisms

    Directory of Open Access Journals (Sweden)

    M. HAGNER

    2008-12-01

    Full Text Available Birch tar oil (BTO is a by-product of processing birch wood in a pyrolysis system. Accumulating evidence suggests the suitability of BTO as a biocide or repellent in terrestrial environments for the control of weeds, insects, molluscs and rodents. Once applied as biocide, BTO may end up, either through run-off or leaching, in aquatic systems and may have adverse effects on non-target organisms. As very little is known about the toxicity of BTO to aquatic organisms, the present study investigated acute toxicity (LC50/EC50 of BTO for eight aquatic organisms. Bioassays with the Asellus aquaticus (crustacean, Lumbriculus variegatus (oligochaeta worm, Daphnia magna (crustacean, Lymnea sp. (mollusc, Lemna minor (vascular plant, Danio rerio (fish, Scenedesmus gracilis (algae, and Vibrio fischeri (bacterium were performed according to ISO, OECD or USEPA-guidelines. The results indicated that BTO was practically nontoxic to most aquatic organisms as the median effective BTO concentrations against most organisms were >150 mg L-1. In conclusion, our toxicity tests showed that aquatic organisms are to some extent, invariably sensitive to birch tar oil, but suggest that BTO does not pose a severe hazard to aquatic biota. We deduce that, unless BTOs are not applied in the immediate vicinity of water bodies, no special precaution is required.;

  13. Geology and resources of the Tar Sand Triangle, southeastern Utah

    Energy Technology Data Exchange (ETDEWEB)

    Dana, G.F.; Oliver, R.L.; Elliott, J.R.

    1984-05-01

    The Tar Sand Triangle is located in southeastern Utah between the Dirty Devil and Colorado Rivers and covers an area of about 200 square miles. The geology of the area consists of gently northwest dipping strata exposed in the box canyons and slopes of the canyonlands morphology. Strata in the area range in age from Jurassic to Permian. The majority of tar sand saturation is found in the Permian White Rim Sandstone Member of the Cutler Formation. The White Rim Sandstone Member consists of a clean, well-sorted sandstone which was deposited in a shallow marine environment. Resources were calculated from analytical data from the three coreholes drilled by the Laramie Energy Technology Center and other available data. The total in-place resources, determined from this study, are 6.3 billion barels. Previous estimates ranged from 2.9 to 16 million barrels. More coring and analyses will be necessary before a more accurate determination of resources can be attempted. 8 references, 11 figures, 7 tables.

  14. Selective cleavage of the C(α)-C(β) linkage in lignin model compounds via Baeyer-Villiger oxidation.

    Science.gov (United States)

    Patil, Nikhil D; Yao, Soledad G; Meier, Mark S; Mobley, Justin K; Crocker, Mark

    2015-03-21

    Lignin is an amorphous aromatic polymer derived from plants and is a potential source of fuels and bulk chemicals. Herein, we present a survey of reagents for selective stepwise oxidation of lignin model compounds. Specifically, we have targeted the oxidative cleavage of Cα-Cβ bonds as a means to depolymerize lignin and obtain useful aromatic compounds. In this work, we prepared several lignin model compounds that possess structures, characteristic reactivity, and linkages closely related to the parent lignin polymer. We observed that selective oxidation of benzylic hydroxyl groups, followed by Baeyer-Villiger oxidation of the resulting ketones, successfully cleaves the Cα-Cβ linkage in these model compounds.

  15. Mathematical Modeling of a Transient Vibration Control Strategy Using a Switchable Mass Stiffness Compound System

    Directory of Open Access Journals (Sweden)

    Diego Francisco Ledezma-Ramirez

    2014-01-01

    Full Text Available A theoretical control strategy for residual vibration control resulting from a shock pulse is studied. The semiactive control strategy is applied in a piecewise linear compound model and involves an on-off logic to connect and disconnect a secondary mass stiffness system from the primary isolation device, with the aim of providing high energy dissipation for lightly damped systems. The compound model is characterized by an energy dissipation mechanism due to the inelastic collision between the two masses and then viscous damping is introduced and its effects are analyzed. The objective of the simulations is to evaluate the transient vibration response in comparison to the results for a passive viscously damped single degree-of-freedom system considered as the benchmark or reference case. Similarly the decay in the compound system is associated with an equivalent decay rate or logarithmic decrement for direct comparison. It is found how the compound system provides improved isolation compared to the passive system, and the damping mechanisms are explained.

  16. 77 FR 48431 - Safety Zone for Fireworks Display, Pamlico and Tar Rivers; Washington, NC

    Science.gov (United States)

    2012-08-14

    ... near the Pamlico and Tar Rivers to commemorate Beaufort County's 300th anniversary. The temporary... 1625-AA00 Safety Zone for Fireworks Display, Pamlico and Tar Rivers; Washington, NC AGENCY: Coast Guard, DHS. ACTION: Temporary final rule. SUMMARY: The Coast Guard is establishing a temporary safety zone on...

  17. Biomass Gasifier ''Tars'': Their Nature, Formation, and Conversion

    Energy Technology Data Exchange (ETDEWEB)

    Milne, T. A.; Evans, R. J. (National Renewable Energy Laboratory); Abatzaglou, N. (Kemestrie, Inc.)

    1998-11-01

    The main purpose of this review is to update the information on gasification tar, the most cumbersome and problematic parameter in any gasification commercialization effort. The work aims to present to the community the scientific and practical aspects of tar formation and conversion (removal) during gasification as a function of the various technological and technical parameters and variables.

  18. Tar removal from biomass derived fuel gas by pulsed corona discharges: chemical kinetic study II

    NARCIS (Netherlands)

    Nair, S.A.; Yan, K.; Pemen, A.J.M.; Heesch, van E.J.M.; Ptasinski, K.J.; Drinkenburg, A.A.H.

    2005-01-01

    Tar (heavy hydrocarbon or poly aromatic hydrocarbon (PAH)) removal from biomass derived fuel gas is one of the biggest obstacles in its utilization for power generation. We have investigated pulsed corona as a method for tar removal. Our previous experimental results indicate the energy consumption

  19. Solid state 13 C NMR quantitative study of wood tar pitches

    International Nuclear Information System (INIS)

    Prauchner, Marcos Juliano; Pasa, Vanya Marcia Duarte; Menezes, Sonia Maria Cabral de

    1999-01-01

    In this work, solid-state 13 C NMR is used with other techniques to characterize Eucalyptus tar pitches and to follow their polymerization reactions. The pitches are the residues of distillation (about 50% m;m) of the tar generated in Eucalyptus slow pyrolysis for charcoal production in metal industry

  20. Simulation of Trajectories of Tar Ball Transport to the Goa Coast

    Digital Repository Service at National Institute of Oceanography (India)

    Suneel, V.; Vethamony, P.; VinodKumar, K.; Babu, M.T.; Prasad, V.S.R.

    Arrival of tar balls to the Goa coast during pre- and southwest monsoon seasons has been a regular phenomenon in the past few years. In one such event, we observed tar ball deposits along the Goa coast during August 2010, April 2011 and May 2011...

  1. 29 CFR 1926.1102 - Coal tar pitch volatiles; interpretation of term.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 8 2010-07-01 2010-07-01 false Coal tar pitch volatiles; interpretation of term. 1926.1102 Section 1926.1102 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH... Hazardous Substances § 1926.1102 Coal tar pitch volatiles; interpretation of term. Note: The requirements...

  2. 29 CFR 1915.1002 - Coal tar pitch volatiles; interpretation of term.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 7 2010-07-01 2010-07-01 false Coal tar pitch volatiles; interpretation of term. 1915.1002 Section 1915.1002 Labor Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH... Toxic and Hazardous Substances § 1915.1002 Coal tar pitch volatiles; interpretation of term. Note: The...

  3. Recovery of very viscous lubricating oils from shale-tar, etc

    Energy Technology Data Exchange (ETDEWEB)

    Erdmann, E

    1919-09-10

    Modification of the process covered by German Patent 335,190 for recovering very viscous lubricating oils, consisting, in place of brown-coal tar, deparafinned peat tar being subjected to the treatment with superheated steam from about 200 to 250/sup 0/C or to heating in vacuum at a temperature below 250/sup 0/C.

  4. Drosophila melanogaster as a model system for the evaluation of anti-aging compounds.

    Science.gov (United States)

    Jafari, Mahtab

    2010-01-01

    Understanding the causes of aging is a complex problem due to the multiple factors that influence aging, which include genetics, environment, metabolism and reproduction, among others. These multiple factors create logistical difficulties in the evaluation of anti-aging agents. There is a need for good model systems to evaluate potential anti-aging compounds. The model systems used should represent the complexities of aging in humans, so that the findings may be extrapolated to human studies, but they should also present an opportunity to minimize the variables so that the experimental results can be accurately interpreted. In addition to positively affecting lifespan, the impact of the compound on the physiologic confounders of aging, including fecundity and the health span--the period of life where an organism is generally healthy and free from serious or chronic illness--of the model organism needs to be evaluated. Fecundity is considered a major confounder of aging in fruit flies. It is well established that female flies that are exposed to toxic substances typically reduce their dietary intake and their reproductive output and display an artifactual lifespan extension. As a result, drugs that achieve longevity benefits by reducing fecundity as a result of diminished food intake are probably not useful candidates for eventual treatment of aging in humans and should be eliminated during the screening process. Drosophila melanogaster provides a suitable model system for the screening of anti-aging compounds as D. melanogaster and humans have many conserved physiological and biological pathways. In this paper, I propose an algorithm to screen anti-aging compounds using Drosophila melanogaster as a model system.

  5. IN SILICO MODELLING OF CYTOTOXIC BEHAVIOUR OF ANTI-LEUKEMIC COMPOUNDS ON HL-60 CELL LINE

    Directory of Open Access Journals (Sweden)

    David Ebuka Arthur

    2016-05-01

    Full Text Available This research employs multiple linear regression technique in the modelling of some potent anti-leukemic compounds using paDEL molecular descriptor software calculator, to identify the best relationship between the chemical structure and toxicities of the anticancer datasets against some leukemic cell lines (HL-60. Statistical parameters such as Q2 and R2pred (test set were computed to validate the strength of the model, while Williams plot was used to assess its applicability domain. The mean effects of the molecular descriptors in the models were calculated to illuminate the principal properties of the molecules responsible for their cytotoxicity.

  6. DEVELOPMENT AND VALIDATION OF AN AIR-TO-BEEF FOOD CHAIN MODEL FOR DIOXIN-LIKE COMPOUNDS

    Science.gov (United States)

    A model for predicting concentrations of dioxin-like compounds in beef is developed and tested. The key premise of the model is that concentrations of these compounds in air are the source term, or starting point, for estimating beef concentrations. Vapor-phase concentrations t...

  7. The radiation chemistry of the purine bases within DNA and related model compounds

    International Nuclear Information System (INIS)

    Cadet, J.; Berger, M.; Shaw, A.

    1986-01-01

    Both the direct and indirect effects of ionizing radiations are believed to contribute to the chemical changes induced in cellular DNA. Relevant information on the possible degradation pathways has been provided by studies using DNA model compounds, the major proportion of which have focused on pyrimidine components and sugar derivatives. With the development of powerful analytical tools such as high performance liquid chromatography and soft ionization mass spectrometry techniques, progress has recently been made in the elucidation of the nature of the radiation-induced chemical modifications of purine bases in DNA and related nucleosides and nucleotides. This short review details recent aspects of the radiation-induced degradation of adenine and guanine bases in DNA and its model compounds as the result of both direct and indirect effects. 11 refs., 2 figs., 1 tab

  8. Tannin structural elucidation and quantitative ³¹P NMR analysis. 1. Model compounds.

    Science.gov (United States)

    Melone, Federica; Saladino, Raffaele; Lange, Heiko; Crestini, Claudia

    2013-10-02

    Tannins and flavonoids are secondary metabolites of plants that display a wide array of biological activities. This peculiarity is related to the inhibition of extracellular enzymes that occurs through the complexation of peptides by tannins. Not only the nature of these interactions, but more fundamentally also the structure of these heterogeneous polyphenolic molecules are not completely clear. This first paper describes the development of a new analytical method for the structural characterization of tannins on the basis of tannin model compounds employing an in situ labeling of all labile H groups (aliphatic OH, phenolic OH, and carboxylic acids) with a phosphorus reagent. The ³¹P NMR analysis of ³¹P-labeled samples allowed the unprecedented quantitative and qualitative structural characterization of hydrolyzable tannins, proanthocyanidins, and catechin tannin model compounds, forming the foundations for the quantitative structural elucidation of a variety of actual tannin samples described in part 2 of this series.

  9. Chapter 8: Pyrolysis Mechanisms of Lignin Model Compounds Using a Heated Micro-Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Robichaud, David J.; Nimlos, Mark R.; Ellison, G. Barney

    2015-10-03

    Lignin is an important component of biomass, and the decomposition of its thermal deconstruction products is important in pyrolysis and gasification. In this chapter, we investigate the unimolecular pyrolysis chemistry through the use of singly and doubly substituted benzene molecules that are model compounds representative of lignin and its primary pyrolysis products. These model compounds are decomposed in a heated micro-reactor, and the products, including radicals and unstable intermediates, are measured using photoionization mass spectrometry and matrix isolation infrared spectroscopy. We show that the unimolecular chemistry can yield insight into the initial decomposition of these species. At pyrolysis and gasification severities, singly substituted benzenes typically undergo bond scission and elimination reactions to form radicals. Some require radical-driven chain reactions. For doubly substituted benzenes, proximity effects of the substituents can change the reaction pathways.

  10. Compound and Geometry-Dependent Pre-Compound Models to Calculate the Nuclear Data for Fusion Reactors

    International Nuclear Information System (INIS)

    Jahn, Helmut

    2005-01-01

    Compound and geometry-dependent pre-compound nuclear reactions are very useful concepts of nuclear theory to calculate cross sections of neutrons of around 14 MeV and below scattered by nuclei of material of installations producing energy of nuclear fusion. If these concepts are used to discuss and improve the experimental data they have to be completed by DWBA-type contributions to the small-step region of the incident neutron which can account for the angular distribution of the scattered neutron because there is the difficulty to separate experimentally the incoming from the scattered beam. The angle integrated cross-section in this region can be shown to be accounted for the surface dependent components of Blanns geometry-dependent precompound mechanism of the statistical state density and level density contributions of the compound and precompound components beeing calculated according to the recent developments of Anzaldo using the analytic number theory. The experimental data have been taken from the results of Hermsdorf, Meister, Sassonov, Seeliger, Seidel, Shahin and of A.Takahashi

  11. Aromatic products from reaction of lignin model compounds with UV-alkaline peroxide

    International Nuclear Information System (INIS)

    Sun, Y.P.; Wallis, A.F.A.; Nguyen, K.L.

    1997-01-01

    A series of guaiacyl and syringyl lignin model compounds and their methylated analogues were reacted with alkaline hydrogen peroxide while irradiating with UV light at 254 nm. The aromatic products obtained were investigated by gas chromatography-mass spectrometry (GC-MS). Guaiacol, syringol and veratrol gave no detectable aromatic products. However, syringol methyl ether gave small amounts of aromatic products, resulting from ring substitution and methoxyl displacement by hydroxyl radicals. Reaction of vanillin and syringaldehyde gave the Dakin reaction products, methoxy-1,4-hydroquinones, while reaction of their methyl ethers yielded benzoic acids. Acetoguaiacone, acetosyringone and their methyl ethers afforded several hydroxylated aromatic products, but no aromatic products were identified in the reaction mixtures from guaiacylpropane and syringylpropane. In contrast, veratrylpropane gave a mixture from which 17 aromatic hydroxylated compounds were identified. It is concluded that for phenolic lignin model compounds, particularly those possessing electrondonating aromatic ring substituents, ring-cleavage reactions involving superoxide radical anions are dominant, whereas for non-phenolic lignin models, hydroxylation reactions through attack of hydroxyl radicals prevail

  12. Model compounds of humic acid and oxovanadium cations. Potentiometric titration and EPR spectroscopy studies

    Directory of Open Access Journals (Sweden)

    Mercê Ana Lucia Ramalho

    1999-01-01

    Full Text Available The stability constants and the isotropic EPR parameters Ao (hyperfine splitting constant and g o (g value were obtained by potentiometric titrations and EPR spectroscopy, respectively, of 85%v/v aqueous solutions of model compounds of humic acids - salicylic acid (SALA - and both nitrohumic acids, a laboratory artifact - nitrosalicylic acids, 3-nitrosalicylic acid (3-NSA, 5-nitrosalicylic acid (5-NSA and 3,5-dinitrosalicylic acid (3,5-DNSA and oxovanadium cations. It was possible to record EPR spectra of those model compounds and the ion VO2+ (V(IV, and the stability constants were obtained from a solution of VO3+ (V(V, the values for the logarithms of the stability constants ranging from 12.77 ± 0.04 to 7.06 ± 0.05 for the species ML, and from 9.90 ±0.04 to 4.06 ± 0.05 for the species ML2 according to the decrease in the acidity of the carboxylic and the hydroxyl groups in the aromatic ring of the model compounds studied as the -NO2 substituents were added. Species distribution diagrams were also obtained for the equilibria studied. The EPR parameters showed that as the logarithm of the overall stability constants increase, g o values also increase, while Ao values show a tendency to decrease.

  13. Stability studies of endocrine disrupting tributyltin and triphenyltin compounds in an artificial sea water model.

    Science.gov (United States)

    Novotny, Ladislav; Sharaf, Leyla; Abdel-Hamid, Mohammed E; Brtko, Julius

    2018-01-01

    Triorganotins belong to toxic components present predominantly in antifouling paints for marine vessels. Tributyltin/triphenyltin at pico- or nanomolar concentrations in sea water are known to induce an irreversible sexual abnormality in females of over 190 marine species, an "imposex" phenomenon - the superimposition of male genitalia on a female. Moreover, trialkyltins and triaryltins function as potent nuclear retinoid X receptors (RXR) agonists. In mammals, triorganotin compounds induce immunosuppressive, metabolic, reproductive or developmental effects. Toxic effects of triorganotins warrant the need for monitoring of their long-lasting presence in the environment. This study brings novel data on the stability of two triorganotin compounds in artificial sea water model obtained by applying ultra-pressure liquid chromatography (UPLC) and gas chromatography-mass spectrometry (GC-MS) methods. Stability of tributyltin and triphenyltin chlorides was studied for 180 days and the degradation kinetic parameters were obtained. Tributyltin chloride was the less stable with the degradation kinetic parameters Kdeg = 0.00014 day-1 and t1/2 = 4950 days (13.6 years). Kdeg of the more stable triphenyltin chloride was determined to be Kdeg = 0.00006 day-1 with t1/2 = 11550 days (31.6 years). Since similar stability data of triorganotin compounds were not published previously, we report high stability for both tested compounds, which indicates a significant environmental problem when these substances enter sea water and later coastal sediments.

  14. Hydrodeoxygenation of O-containing polycyclic model compounds using a novel organometallic catalyst-precursor

    Energy Technology Data Exchange (ETDEWEB)

    Kirby, S.R.; Song, C.S.; Schobert, H.H. [Pennsylvania State University, University Park, PA (United States). Dept. of Materials Science and Engineering

    1996-09-05

    Compounds containing oxygen functional groups, especially phenols, are undesirable components of coal-derived liquids. Removal of these compounds from the products of coal liquefaction is required. A beneficial alternative would be the removal of these compounds, or the prevention of their formation, during the liquefaction reaction itself, rather than as a separate processing step. A novel organometallic catalyst precursor containing Co and Mo has been studied as a potential hydrogenation catalyst for coal liquefaction. To ascertain the hydrodeoxygenation activity of this catalyst under liquefaction conditions, model compounds were investigated. Anthrone, 2,6-di-r-btuyl-4-methyl-phenol, dinaphthyl ether and xanthene were reacted in the presence of the Co-Mo catalyst precursor and a precursor containing only Mo over a range of temperatures, providing a comparison of conversions to deoxygenated products. These conversions give an indication of the hydrodeoxygenating abilities of organometallic catalyst precursors within a coal liquefaction system. For example, at 400{degree}C dinaphthyl ether was converted 100% (4.5% O-containing products) in the presence of the Co-Mo organometallic precursor, compared to 76.5% conversion (7.4% O-products) in the presence of the Mo catalyst.

  15. Parity violating NN forcES in the quark compound bag model

    International Nuclear Information System (INIS)

    Simonov, Yu.A.

    1982-01-01

    Parity violation (PV) in the interaction is considered as due to the Weinberg-Salam quark-quark interaction inside the six-quark bag. The initial and final strong interaction is described within the same quark compound bag (QCB) model, where the NN coupling to the six quark QCB is defined from the NN experimental data. The resulting PV amplitude contains no free parameters and allows therefore an unambiguous test of the QCB model. An estimate of the 1 S 0 → 3 P 0 contribution to the proton-proton asymmetry is in a rough agreement with experimental data [ru

  16. Measurement of infrared refractive indices of organic and organophosphorous compounds for optical modeling

    Energy Technology Data Exchange (ETDEWEB)

    Tonkyn, Russell G.; Danby, Tyler O.; Birnbaum, Jerome C.; Taubman, Matthew S.; Bernacki, Bruce E.; Johnson, Timothy J.; Myers, Tanya L.

    2017-05-03

    The complex optical refractive index contains the optical constants, n($\\tilde{u}$)and k($\\tilde{u}$), which correspond to the dispersion and absorption of light within a medium, respectively. By obtaining the optical constants one can in principle model most optical phenomena in media and at interfaces including reflection, refraction and dispersion. We have developed improved protocols based on the use of multiple path lengths to determine the optical constants for dozens of liquids, including organic and organophosphorous compounds. Detailed description of the protocols to determine the infrared indices will be presented, along with preliminary results using the constants with their applications to optical modeling.

  17. Isoflavonoid compounds extracted from Pueraria lobata suppress alcohol preference in a pharmacogenetic rat model of alcoholism.

    Science.gov (United States)

    Lin, R C; Guthrie, S; Xie, C Y; Mai, K; Lee, D Y; Lumeng, L; Li, T K

    1996-06-01

    The extract from an edible vine, Pueraria lobata, has long been used in China to lessen alcohol intoxication. We have previously shown that daidzin, one of the major components from this plant extract, is efficacious in lowering blood alcohol levels and shortens sleep time induced by alcohol ingestion. This study was conducted to test the antidipsotropic effect of daidzin and two other major isoflavonoids, daidzein and puerarin, from Pueraria lobata administered by the oral route. An alcohol-preferring rat model, the selectively-bred P line of rats, was used for the study. All three isoflavonoid compounds were effective in suppressing voluntary alcohol consumption by the P rats. When given orally to P rats at a dose of 100 mg/kg/day, daidzein, daidzin, and puerarin decreased ethanol intake by 75%, 50%, and 40%, respectively. The decrease in alcohol consumption was accompanied by an increase in water intake, so that the total fluid volume consumed daily remained unchanged. The effects of these isoflavonoid compounds on alcohol and water intake were reversible. Suppression of alcohol consumption was evident after 1 day of administration and became maximal after 2 days. Similarly, alcohol preference returned to baseline levels 2 days after discontinuation of the isoflavonoids. Rats receiving the herbal extracts ate the same amounts of food as control animals, and they gained weight normally during the experiments. When administered orally, none of these compounds affected the activities of liver alcohol dehydrogenase and aldehyde dehydrogenase. Therefore, the reversal of alcohol preference produced by these compounds may be mediated via the CNS. Data demonstrate that isoflavonoid compounds extracted from Pueraria lobata is effective in suppressing the appetite for alcohol when taken orally, raising the possibility that other constituents of edible plants may exert similar and more potent actions.

  18. Estimating effectiveness in HIV prevention trials with a Bayesian hierarchical compound Poisson frailty model

    Science.gov (United States)

    Coley, Rebecca Yates; Browna, Elizabeth R.

    2016-01-01

    Inconsistent results in recent HIV prevention trials of pre-exposure prophylactic interventions may be due to heterogeneity in risk among study participants. Intervention effectiveness is most commonly estimated with the Cox model, which compares event times between populations. When heterogeneity is present, this population-level measure underestimates intervention effectiveness for individuals who are at risk. We propose a likelihood-based Bayesian hierarchical model that estimates the individual-level effectiveness of candidate interventions by accounting for heterogeneity in risk with a compound Poisson-distributed frailty term. This model reflects the mechanisms of HIV risk and allows that some participants are not exposed to HIV and, therefore, have no risk of seroconversion during the study. We assess model performance via simulation and apply the model to data from an HIV prevention trial. PMID:26869051

  19. Stochastic Interest Model Based on Compound Poisson Process and Applications in Actuarial Science

    Directory of Open Access Journals (Sweden)

    Shilong Li

    2017-01-01

    Full Text Available Considering stochastic behavior of interest rates in financial market, we construct a new class of interest models based on compound Poisson process. Different from the references, this paper describes the randomness of interest rates by modeling the force of interest with Poisson random jumps directly. To solve the problem in calculation of accumulated interest force function, one important integral technique is employed. And a conception called the critical value is introduced to investigate the validity condition of this new model. We also discuss actuarial present values of several life annuities under this new interest model. Simulations are done to illustrate the theoretical results and the effect of parameters in interest model on actuarial present values is also analyzed.

  20. Fast fission phenomenon, deep inelastic reactions and compound nucleus formation described within a dynamical macroscopic model

    International Nuclear Information System (INIS)

    Gregoire, C.; Ngo, C.; Remaud, B.

    1982-01-01

    We present a dynamical model to describe dissipative heavy ion reactions. It treats explicitly the relative motion of the two ions, the mass asymmetry of the system and the projection of the isospin of each ion. The deformations, which are induced during the collision, are simulated with a time-dependent interaction potential. This is done by a time-dependent transition between a sudden interaction potential in the entrance channel and an adiabatic potential in the exit channel. The model allows us to compute the compound-nucleus cross section and multidifferential cross-sections for deep inelastic reactions. In addition, for some systems, and under certain conditions which are discussed in detail, a new dissipative heavy ion collision appears: fast-fission phenomenon which has intermediate properties between deep inelastic and compound nucleus reactions. The calculated properties concerning fast fission are compared with experimental results and reproduce some of those which could not be understood as belonging to deep inelastic or compound-nucleus reactions. (orig.)

  1. Thermal remediation of tar-contaminated soil and oil-contaminated gravel

    International Nuclear Information System (INIS)

    Anthony, E.J.; Wang, J.

    2005-01-01

    High temperature treatments are commonly considered for the decontamination of soil as they have the advantages of reliability, high capacity, and effective destruction of hazardous materials with reduced long-term liability. This paper examined the remediation of soil contaminated by coal tar as well as gravel contaminated by oil. Pilot plant studies were conducted using 2 representative incineration technologies: rotary kiln and fluidized bed. The coal tar contaminated soil had accumulated over a few decades at a calcination plant in western Canada. The soil was sticky and could not be handled by conventional feeding and combustion systems. Crushed lignite was mixed with the soil as an auxiliary fuel and to reduce stickiness. A pilot plant furnace was used to evaluate the potential of decontamination in a rotary calciner. An analysis of both a modelling study and the test results showed that complete decontamination could be achieved in the targeted calciner. The results suggested that energy recovery was also possible, which could in turn make the remediation process more cost-effective. Decontamination of oil-contaminated gravel was conducted with a pilot plant fluidized bed combustor to study the feasibility of using incineration technology in the remediation of gravel and debris contaminated by oil spills. Results indicated that the gravel was decontaminated with acceptable emission performance. It was concluded that the study will be valuable to the application of commercial incineration processes for the remediation of polluted soils. It was observed that the weathering of the oiled gravel lowered the rate of decontamination. A small amount of salt water resulted in lowered decontamination rates, which may be an important factor for situations involving the remediation of shoreline gravel contaminated by oil. 24 refs., 6 tabs., 7 figs

  2. Quark compound Bag model for NN scattering up to 1 GeV

    International Nuclear Information System (INIS)

    Fasano, C.; Lee, T.S.H.

    1987-01-01

    A Quark Compound Bag model has been constructed to describe NN s-wave scattering up to 1 GeV. The model contains a vertex interaction H/sub D/leftrightarrow/NN/ for describing the excitation of a confined six-quark Bag state, and a meson-exchange interaction obtained from modifying the phenomenological core of the Paris potential. Explicit formalisms and numerical results are presented to reveal the role of the Bag excitation mechanism in determining the relative wave function, P- and S-matrix of NN scattering. We explore the merit as well as the shortcoming of the Quark Compound Bag model developed by the ITEP group. It is shown that the parameters of the vertex interaction H/sub D/leftrightarrow/NN/ can be more rigorously determined from the data if the notation of the Chiral/Cloudy Bag model is used to allow the presence of the background meson-exchange interaction inside Bag excitation region. The application of the model in the study of quark degrees of freedom in nuclei is discussed. 41 refs., 6 figs., 3 tabs

  3. Linear and nonlinear methods in modeling the aqueous solubility of organic compounds.

    Science.gov (United States)

    Catana, Cornel; Gao, Hua; Orrenius, Christian; Stouten, Pieter F W

    2005-01-01

    Solubility data for 930 diverse compounds have been analyzed using linear Partial Least Square (PLS) and nonlinear PLS methods, Continuum Regression (CR), and Neural Networks (NN). 1D and 2D descriptors from MOE package in combination with E-state or ISIS keys have been used. The best model was obtained using linear PLS for a combination between 22 MOE descriptors and 65 ISIS keys. It has a correlation coefficient (r2) of 0.935 and a root-mean-square error (RMSE) of 0.468 log molar solubility (log S(w)). The model validated on a test set of 177 compounds not included in the training set has r2 0.911 and RMSE 0.475 log S(w). The descriptors were ranked according to their importance, and at the top of the list have been found the 22 MOE descriptors. The CR model produced results as good as PLS, and because of the way in which cross-validation has been done it is expected to be a valuable tool in prediction besides PLS model. The statistics obtained using nonlinear methods did not surpass those got with linear ones. The good statistic obtained for linear PLS and CR recommends these models to be used in prediction when it is difficult or impossible to make experimental measurements, for virtual screening, combinatorial library design, and efficient leads optimization.

  4. Simplified fate modelling in respect to ecotoxicological and human toxicological characterisation of emissions of chemical compounds

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    The impact assessment of chemical compounds in Life Cycle Impact Assessment (LCIA) and Environmental Risk Assessment (ERA) requires a vast amount of data on the properties of the chemical compounds being assessed. The purpose of the present study is to explore statistical options for reduction...... of the data demand associated with characterisation of chemical emissions in LCIA and ERA.Based on a USEtox™ characterisation factor set consisting of 3,073 data records, multi-dimensional bilinear models for emission compartment specific fate characterisation of chemical emissions were derived by application...... the independent chemical input parameters from the minimum data set, needed for characterisation in USEtox™, according to general availability, importance and relevance for fate factor prediction.Each approach (63% and 75% of the minimum data set needed for characterisation in USEtox™) yielded 66 meta...

  5. Experimental transmission electron microscopy studies and phenomenological model of bismuth-based superconducting compounds

    International Nuclear Information System (INIS)

    Elboussiri, Khalid

    1991-01-01

    The main part of this thesis is devoted to an experimental study by transmission electron microscopy of the different phases of the superconducting bismuth cuprates Bi_2Sr_2Ca_n_-_1Cu_nO_2_n_+_4. In high resolution electron microscopy, the two types of incommensurate modulation realized in these compounds have been observed. A model of structure has been proposed from which the simulated images obtained are consistent with observations. The medium resolution images correlated with the electron diffraction data have revealed existence of a multi-soliton regime with latent lock in phases of commensurate periods between 4b and 10b. At last, a description of different phases of these compounds as a result of superstructures from a disordered perovskite type structure is proposed (author) [fr

  6. Spatial arrangement of organic compounds on a model mineral surface: implications for soil organic matter stabilization.

    Science.gov (United States)

    Petridis, Loukas; Ambaye, Haile; Jagadamma, Sindhu; Kilbey, S Michael; Lokitz, Bradley S; Lauter, Valeria; Mayes, Melanie A

    2014-01-01

    The complexity of the mineral-organic carbon interface may influence the extent of stabilization of organic carbon compounds in soils, which is important for global climate futures. The nanoscale structure of a model interface was examined here by depositing films of organic carbon compounds of contrasting chemical character, hydrophilic glucose and amphiphilic stearic acid, onto a soil mineral analogue (Al2O3). Neutron reflectometry, a technique which provides depth-sensitive insight into the organization of the thin films, indicates that glucose molecules reside in a layer between Al2O3 and stearic acid, a result that was verified by water contact angle measurements. Molecular dynamics simulations reveal the thermodynamic driving force behind glucose partitioning on the mineral interface: The entropic penalty of confining the less mobile glucose on the mineral surface is lower than for stearic acid. The fundamental information obtained here helps rationalize how complex arrangements of organic carbon on soil mineral surfaces may arise.

  7. Opening of the TAR hairpin in the HIV-1 genome causes aberrant RNA dimerization and packaging

    Directory of Open Access Journals (Sweden)

    Das Atze T

    2012-07-01

    Full Text Available Abstract Background The TAR hairpin is present at both the 5′ and 3′ end of the HIV-1 RNA genome. The 5′ element binds the viral Tat protein and is essential for Tat-mediated activation of transcription. We recently observed that complete TAR deletion is allowed in the context of an HIV-1 variant that does not depend on this Tat-TAR axis for transcription. Mutations that open the 5′ stem-loop structure did however affect the leader RNA conformation and resulted in a severe replication defect. In this study, we set out to analyze which step of the HIV-1 replication cycle is affected by this conformational change of the leader RNA. Results We demonstrate that opening the 5′ TAR structure through a deletion in either side of the stem region caused aberrant dimerization and reduced packaging of the unspliced viral RNA genome. In contrast, truncation of the TAR hairpin through deletions in both sides of the stem did not affect RNA dimer formation and packaging. Conclusions These results demonstrate that, although the TAR hairpin is not essential for RNA dimerization and packaging, mutations in TAR can significantly affect these processes through misfolding of the relevant RNA signals.

  8. Application of organic geochemistry to coastal tar residues from central California

    Energy Technology Data Exchange (ETDEWEB)

    Kvenvolden, K.A.; Rosenbauer, R.J.; Hostettler, F.D.; Lorenson, T.D.

    2000-01-01

    Tar residues are common on the Monterey Bay National Marine Sanctuary. These coastal tar residues have been washed ashore and usually occur on headlands near the high-tide line. In this study, 18 coastal tar residues were collected and analyzed to determine their carbon isotopic compositions and values of selected biomarker ratios. All of the residues have very heavy ({sup 13}C-enriched) carbon isotopic compositions spanning a narrow range ({delta}{sup 13}C = {minus}22.2 to {minus}23.4{per{underscore}thousand}), and 28,30-bisnorhopane is present in all samples. These same geochemical characteristics are found in Monterey Formation oils from which the coastal tar residues were likely derived. These coastal residues could result from natural seeps or from accidental spills. Statistically the coastal tar residues can be organized into three groups, each of which may represent different spill or seep events. Seven samples of potential local representative sources for the tar residues were examined, but none could account for the coastal tars.

  9. Model compounds for heavy crude oil components and tetrameric acids: Characterization and interfacial behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Nordgaard, Erland Loeken

    2009-07-01

    The tendency during the past decades in the quality of oil reserves shows that conventional crude oil is gradually being depleted and the demand being replaced by heavy crude oils. These oils contain more of a class high-molecular weight components termed asphaltenes. This class is mainly responsible for stable water-in-crude oil emulsions. Both heavy and lighter crude oils in addition contain substantial amounts of naphthenic acids creating naphthenate deposits in topside facilities. The asphaltene class is defined by solubility and consists of several thousand different structures which may behave differently in oil-water systems. The nature of possible sub fractions of the asphaltene has been received more attention lately, but still the properties and composition of such is not completely understood. In this work, the problem has been addressed by synthesizing model compounds for the asphaltenes, on the basis that an acidic function incorporated could be crucial. Such acidic, poly aromatic surfactants turned out to be highly inter facially active as studied by the pendant drop technique. Langmuir monolayer compressions combined with fluorescence of deposited films indicated that the interfacial activity was a result of an efficient packing of the aromatic cores in the molecules, giving stabilizing interactions at the o/w interface. Droplet size distributions of emulsions studied by PFG NMR and adsorption onto hydrophilic silica particles demonstrated the high affinity to o/w interfaces and that the efficient packing gave higher emulsion stability. Comparing to a model compound lacking the acidic group, it was obvious that sub fractions of asphaltenes that contain an acidic, or maybe similar hydrogen bonding functions, could be responsible for stable w/o emulsions. Indigenous tetrameric acids are the main constituent of calcium naphthenate deposits. Several synthetic model tetra acids have been prepared and their properties have been compared to the indigenous

  10. Impact of organic-mineral matter interactions on thermal reaction pathways for coal model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Buchanan, A.C. III; Britt, P.F.; Struss, J.A. [Oak Ridge National Lab., TN (United States). Chemical and Analytical Sciences Div.

    1995-07-01

    Coal is a complex, heterogeneous solid that includes interdispersed mineral matter. However, knowledge of organic-mineral matter interactions is embryonic, and the impact of these interactions on coal pyrolysis and liquefaction is incomplete. Clay minerals, for example, are known to be effective catalysts for organic reactions. Furthermore, clays such as montmorillonite have been proposed to be key catalysts in the thermal alteration of lignin into vitrinite during the coalification process. Recent studies by Hatcher and coworkers on the evolution of coalified woods using microscopy and NMR have led them to propose selective, acid-catalyzed, solid state reaction chemistry to account for retained structural integrity in the wood. However, the chemical feasibility of such reactions in relevant solids is difficult to demonstrate. The authors have begun a model compound study to gain a better molecular level understanding of the effects in the solid state of organic-mineral matter interactions relevant to both coal formation and processing. To satisfy the need for model compounds that remain nonvolatile solids at temperatures ranging to 450 C, model compounds are employed that are chemically bound to the surface of a fumed silica (Si-O-C{sub aryl}linkage). The organic structures currently under investigation are phenethyl phenyl ether (C{sub 6}H{sub 5}CH{sub 2}CH{sub 2}OC{sub 6}H{sub 5}) derivatives, which serve as models for {beta}-alkyl aryl ether units that are present in lignin and lignitic coals. The solid-state chemistry of these materials at 200--450 C in the presence of interdispersed acid catalysts such as small particle size silica-aluminas and montmorillonite clay will be reported. Initial focus will be on defining the potential impact of these interactions on coal pyrolysis and liquefaction.

  11. The Legend of Hot Tar or Pitch as a Defensive Weapon

    DEFF Research Database (Denmark)

    Atzbach, Rainer

    2015-01-01

    research. In reality, this way of fighting can only be seen as a legend, i.e. a story with only a relative truth at its core. This paper will examine the origin of this historical tradition and its archaeological and architectural sources. The chemical and physical properties of tar pitch and its...... production and use during the Middle Ages will be discussed with special focus on the application of tar pitch as an ingredient in medieval and post-medieval thermal weapons (especially Greek Fire, the firebomb and the fire arrow). The punishment of tarring and feathering will also be considered...

  12. A role for nuclear energy in the recovery of oil from the tar sands of Alberta

    International Nuclear Information System (INIS)

    Puttagunta, V.R.; Sochaski, R.O.; Robertson, R.F.S.

    1976-12-01

    Techniques of oil recovery from the tar sands and the energy requirements of this operation are described. Fossil fuels, and CANDU reactors are examined as competitive sources of energy for the tar sands plants. The CANDU-OCR reactor appears to have the necessary flexibility to fit into many of the possible methods of recovering oil from the tar sands. Cost comparisons of fossil and nuclear sources show that, for the supply of process steam, the nuclear source is competitive under the criteria of debt financing or low discount rates on capital, continued escalation, and long plant capital write-off period. (author)

  13. The extraction of bitumen from western tar sands. Annual report, July 1990--July 1991

    Energy Technology Data Exchange (ETDEWEB)

    Oblad, A.G.; Bunger, J.W.; Deo, M.D.; Hanson, F.V.; Miller, J.D.; Seader, J.D.

    1992-04-01

    Contents of this report include the following: executive summary; characterization of the native bitumen from the Whiterocks oil sand deposit; influence of carboxylic acid content on bitumen viscosity; water based oil sand separation technology; extraction of bitumen from western oil sands by an energy-efficient thermal method; large- diameter fluidized bed reactor studies; rotary kiln pyrolysis of oil sand; catalytic upgrading of bitumen and bitumen derived liquids; ebullieted bed hydrotreating and hydrocracking; super critical fluid extraction; bitumen upgrading; 232 references; Appendix A--Whiterocks tar sand deposit bibliography; Appendix B--Asphalt Ridge tar sand deposit bibliography; and Appendix C--University of Utah tar sands bibliography.

  14. Model for fusion and cool compound nucleus formation based on the fragmentation theory

    International Nuclear Information System (INIS)

    Malhotra, N.; Aroumougame, R.; Saroha, D.R.; Gupta, R.K.

    1986-01-01

    Collective potential energy surfaces are calculated in both the adiabatic and sudden approximations by using the asymmetric two-center shell model in the Strutinsky method. It is shown that fusion of two colliding heavy ions occurs by their crossing over of the adiabatic interaction barrier. The adiabatic scattering potentials present two barriers, whereas no barrier is shown to occur in sudden scattering potentials. The first barrier is obtained just past the saddle shape but is too low, such that a deep inelastic process is expected. The other, inner, barrier is high enough to let the system fall into the fusion well, whose excitation energy then determines whether a cool compound nucleus is produced or the fusion-fission process occurs. For a given compound nucleus, the excitation energy is found to be small for only a few target-projectile combinations, which increase as their mass asymmetry increases. Such target-projectile combinations which refer to a cool compound nucleus can be identified by a simple calculation of the fragmentation potential based on the ground state binding energies with Coulomb and proximity effects calculated at a constant relative separation of the two nuclei. Our calculations are made for the composite systems with 102 < or =Z < or =114

  15. Model for fusion and cool compound nucleus formation based on the fragmentation theory

    International Nuclear Information System (INIS)

    Malhotra, N.; Aroumougame, R.; Saroha, D.R.; Gupta, R.K.

    1985-07-01

    The collective potential energy surfaces are calculated in both the adiabatic and sudden approximations by using the asymmetric two centre shell model in Strutinsky method. It is shown that fusion of two colliding heavy ions occur by their crossing over of the adiabatic interaction barrier. The adiabatic scattering potentials present two barriers whereas no barrier is shown to occur in sudden scattering potentials. The first barrier is obtained just past the saddle shape but is too low, such that a deep inelastic process is expected. The other, inner, barrier is high enough to let the system fall into the fusion well, whose excitation energy then determine whether a cool compound nucleus is produced or the fusion-fission process occurs. For a given compound nucleus, the excitation energy is found to be small for only a few target-projectile combinations, which increase as their mass asymmetry increases. Such target-projectile combinations which refer to a cool compound nucleus, can be identified by a simple calculation of the fragmentation potential based on the ground state binding energies with Couloumb and proximity effects calculated at a constant relative separation of the two nuclei. Our calculations are made for the composite systems with 102<=Z<=114. (author)

  16. Photoproduction of hydrogen peroxide in aqueous solution from model compounds for chromophoric dissolved organic matter (CDOM)

    International Nuclear Information System (INIS)

    Clark, Catherine D.; Bruyn, Warren de; Jones, Joshua G.

    2014-01-01

    Highlights: • CDOM produces hydrogen peroxide in sunlit surface waters. • Quinone moieties have been proposed as the photo-active chromophore in CDOM. • Hydrogen peroxide is produced in irradiated aqueous quinone solutions. • Concentrations and production rates are comparable to humic and fulvic acids. • Optical properties post-irradiation were similar to CDOM. - Abstract: To explore whether quinone moieties are important in chromophoric dissolved organic matter (CDOM) photochemistry in natural waters, hydrogen peroxide (H 2 O 2 ) production and associated optical property changes were measured in aqueous solutions irradiated with a Xenon lamp for CDOM model compounds (dihydroquinone, benzoquinone, anthraquinone, napthoquinone, ubiquinone, humic acid HA, fulvic acid FA). All compounds produced H 2 O 2 with concentrations ranging from 15 to 500 μM. Production rates were higher for HA vs. FA (1.32 vs. 0.176 mM h −1 ); values ranged from 6.99 to 0.137 mM h −1 for quinones. Apparent quantum yields (Θ app ; measure of photochemical production efficiency) were higher for HA vs. FA (0.113 vs. 0.016) and ranged from 0.0018 to 0.083 for quinones. Dihydroquinone, the reduced form of benzoquinone, had a higher production rate and efficiency than its oxidized form. Post-irradiation, quinone compounds had absorption spectra similar to HA and FA and 3D-excitation–emission matrix fluorescence spectra (EEMs) with fluorescent peaks in regions associated with CDOM

  17. Photoproduction of hydrogen peroxide in aqueous solution from model compounds for chromophoric dissolved organic matter (CDOM).

    Science.gov (United States)

    Clark, Catherine D; de Bruyn, Warren; Jones, Joshua G

    2014-02-15

    To explore whether quinone moieties are important in chromophoric dissolved organic matter (CDOM) photochemistry in natural waters, hydrogen peroxide (H2O2) production and associated optical property changes were measured in aqueous solutions irradiated with a Xenon lamp for CDOM model compounds (dihydroquinone, benzoquinone, anthraquinone, napthoquinone, ubiquinone, humic acid HA, fulvic acid FA). All compounds produced H2O2 with concentrations ranging from 15 to 500 μM. Production rates were higher for HA vs. FA (1.32 vs. 0.176 mM h(-1)); values ranged from 6.99 to 0.137 mM h(-1) for quinones. Apparent quantum yields (Θ app; measure of photochemical production efficiency) were higher for HA vs. FA (0.113 vs. 0.016) and ranged from 0.0018 to 0.083 for quinones. Dihydroquinone, the reduced form of benzoquinone, had a higher production rate and efficiency than its oxidized form. Post-irradiation, quinone compounds had absorption spectra similar to HA and FA and 3D-excitation-emission matrix fluorescence spectra (EEMs) with fluorescent peaks in regions associated with CDOM. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Compound toxicity screening and structure-activity relationship modeling in Escherichia coli.

    Science.gov (United States)

    Planson, Anne-Gaëlle; Carbonell, Pablo; Paillard, Elodie; Pollet, Nicolas; Faulon, Jean-Loup

    2012-03-01

    Synthetic biology and metabolic engineering are used to develop new strategies for producing valuable compounds ranging from therapeutics to biofuels in engineered microorganisms. When developing methods for high-titer production cells, toxicity is an important element to consider. Indeed the production rate can be limited due to toxic intermediates or accumulation of byproducts of the heterologous biosynthetic pathway of interest. Conversely, highly toxic molecules are desired when designing antimicrobials. Compound toxicity in bacteria plays a major role in metabolic engineering as well as in the development of new antibacterial agents. Here, we screened a diversified chemical library of 166 compounds for toxicity in Escherichia coli. The dataset was built using a clustering algorithm maximizing the chemical diversity in the library. The resulting assay data was used to develop a toxicity predictor that we used to assess the toxicity of metabolites throughout the metabolome. This new tool for predicting toxicity can thus be used for fine-tuning heterologous expression and can be integrated in a computational-framework for metabolic pathway design. Many structure-activity relationship tools have been developed for toxicology studies in eukaryotes [Valerio (2009), Toxicol Appl Pharmacol, 241(3): 356-370], however, to the best of our knowledge we present here the first E. coli toxicity prediction web server based on QSAR models (EcoliTox server: http://www.issb.genopole.fr/∼faulon/EcoliTox.php). Copyright © 2011 Wiley Periodicals, Inc.

  19. Priming of plant resistance by natural compounds. Hexanoic acid as a model

    Directory of Open Access Journals (Sweden)

    Paz eAranega Bou

    2014-10-01

    Full Text Available Some alternative control strategies of currently emerging plant diseases are based on the use of resistance inducers. This review highlights the recent advances made in the characterization of natural compounds that induce resistance by a priming mechanism. These include vitamins, chitosans, oligogalacturonides, volatile organic compounds, azelaic and pipecolic acid, among others. Overall, other than providing novel disease control strategies that meet environmental regulations, natural priming agents are valuable tools to help unravel the complex mechanisms underlying the induced resistance phenomenon. The data presented in this review reflect the novel contributions made from studying these natural plant inducers, with special emphasis placed on hexanoic acid (Hx, proposed herein as a model tool for this research field. Hx is a potent natural priming agent of proven efficiency in a wide range of host plants and pathogens. It can early activate broad-spectrum defenses by inducing callose deposition and the SA and JA pathways. Later it can prime pathogen-specific responses according to the pathogen’s lifestyle. Interestingly, Hx primes redox-related genes to produce an anti-oxidant protective effect, which might be critical for limiting the infection of necrotrophs. Our Hx-induced resistance (Hx-IR findings also strongly suggest that it is an attractive tool for the molecular characterization of the plant alarmed state, with the added advantage of it being a natural compound.

  20. Nucleon-nucleon interaction in the quark-compound-bag model

    International Nuclear Information System (INIS)

    Simonov, Yu.A.

    1982-01-01

    The NN potential is investigated in the framework of the quark-compound-bag model. The cluster decomposition of the total six-quark wave function are obtained. The resulting potential is nonlocal and energy dependent with coefficients which can be derived both phenomenologically and theoretically. Stringent conditions exist for those coefficients. As an example the NN potentials for the 3 S 1 and 1 S 0 states are presented. The properties of the wave functions are studied both in the configurational and momentum space

  1. Quest for consistent modelling of statistical decay of the compound nucleus

    Science.gov (United States)

    Banerjee, Tathagata; Nath, S.; Pal, Santanu

    2018-01-01

    A statistical model description of heavy ion induced fusion-fission reactions is presented where shell effects, collective enhancement of level density, tilting away effect of compound nuclear spin and dissipation are included. It is shown that the inclusion of all these effects provides a consistent picture of fission where fission hindrance is required to explain the experimental values of both pre-scission neutron multiplicities and evaporation residue cross-sections in contrast to some of the earlier works where a fission hindrance is required for pre-scission neutrons but a fission enhancement for evaporation residue cross-sections.

  2. Repair of model compounds of photoinduced lesions in DNA. Electrochemical approaches

    International Nuclear Information System (INIS)

    Boussicault, F.

    2006-09-01

    The goal of this work is to better understand the repair mechanism of photoinduced lesions in DNA (cyclobutane dimers and pyrimidine (6-4) pyrimidone adducts) by photolyase redox enzymes, using tools and concepts of molecular electrochemistry. Thanks to the study of model compounds of cyclobutane lesions by cyclic voltametry, we have been able to mimic the key step of the enzymatic repair (dissociative electron transfer) and to monitor the repair of model compounds by Escherichia coli DNA photolyase. From these results, we have discussed the repair mechanism, especially the stepwise or concerted character of the process. Repair mechanism of (6-4) adducts is not known now, but a possible pathway implies an electron transfer coupled to the cleavage of two bonds in the closed form of the lesions (oxetanes). Voltammetric study of reduction and oxidation of model oxetanes and their repair by E. coli DNA photolyase gave some experimental evidence confirming the proposed mechanism and allowing a better understanding of it. (author)

  3. Effect of Selected Mercapto Flavor Compounds on Acrylamide Elimination in a Model System

    Directory of Open Access Journals (Sweden)

    Zhiyong Xiong

    2017-05-01

    Full Text Available The effect of four mercapto flavor compounds (1,2-ethanedithiol, 1-butanethiol, 2-methyl-3-furanthiol, and 2-furanmethanethiol on acrylamide elimination were investigated in model systems. The obtained results showed that mercaptans assayed were effective in elimination arylamide in a model system. Their reactivities for decreasing acrylamide content depended on mercaptan’s molecular structure and acrylamide disappearance decreased in the following order: 1,2-ethanedithiol > 2-methyl-3-furanthiol > 1-butanethiol > 2-furanmethanethiol. Mercaptans were added to acrylamide to produce the corresponding 3-(alkylthio propionamides. This reaction was irreversible and only trace amounts of acrylamide were formed by thermal heating of 3-(alkylthio propanamide. Although a large amount disappeared, only part of the acrylamide conversed into 3-(alkylthio propionamides. All of these results constitute a fundamental proof of the complexity of the reactions involved in the removal of free acrylamide in foods. This implies mercapto flavor/aroma may directly or indirectly reduce the level of acrylamide in food processing. This study could be regarded as a pioneer contribution on acrylamide elimination in a model system by the addition of mercapto flavor compounds.

  4. The catalytic ozonization of model lignin compounds in the presence of Fe(III) ions

    Science.gov (United States)

    Ben'ko, E. M.; Mukovnya, A. V.; Lunin, V. V.

    2007-05-01

    The ozonization of several model lignin compounds (guaiacol, 2,6-dimethoxyphenol, phenol, and vanillin) was studied in acid media in the presence of iron(III) ions. It was found that Fe3+ did not influence the initial rate of the reactions between model phenols and ozone but accelerated the oxidation of intermediate ozonolysis products. The metal concentration dependences of the total ozone consumption and effective rate constants of catalytic reaction stages were determined. Data on reactions in the presence of oxalic acid as a competing chelate ligand showed that complex formation with Fe3+ was the principal factor that accelerated the ozonolysis of model phenols at the stage of the oxidation of carboxylic dibasic acids and C2 aldehydes formed as intermediate products.

  5. Activity Prediction of Schiff Base Compounds using Improved QSAR Models of Cinnamaldehyde Analogues and Derivatives

    Directory of Open Access Journals (Sweden)

    Hui Wang

    2015-10-01

    Full Text Available In past work, QSAR (quantitative structure-activity relationship models of cinnamaldehyde analogues and derivatives (CADs have been used to predict the activities of new chemicals based on their mass concentrations, but these approaches are not without shortcomings. Therefore, molar concentrations were used instead of mass concentrations to determine antifungal activity. New QSAR models of CADs against Aspergillus niger and Penicillium citrinum were established, and the molecular design of new CADs was performed. The antifungal properties of the designed CADs were tested, and the experimental Log AR values were in agreement with the predicted Log AR values. The results indicate that the improved QSAR models are more reliable and can be effectively used for CADs molecular design and prediction of the activity of CADs. These findings provide new insight into the development and utilization of cinnamaldehyde compounds.

  6. Predictive QSPR Modelling for the Second Virial Coefficient of the Pure Organic Compounds.

    Science.gov (United States)

    Mokshyna, E; Polishchuk, P G; Nedostup, V I; Kuzmin, V E

    2015-01-01

    In this article we developed a system of the predictive models for the second virial coefficients of the pure compounds. Second virial coefficient is the property derived from the virial equation of state, and is of particular interest as it describes pair intermolecular interactions. The two-layer QSPR models were developed, which exploited the well-known physical equations and allowed us to include this information into traditional QSPR methodology. This shows some new perspectives for work with temperature-dependent properties. It was shown that 2D descriptors can be successfully used for modeling of complex thermodynamic properties like virial coefficients. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Alternative host models for Testing Anti-Protozoal or Antifungal Compounds and fungal infection.

    Science.gov (United States)

    Torrecilhas, Ana Claudia; Xander, Patricia; Ferreira, Karen Spadari; Batista, Wagner Luiz

    2018-04-12

    The neglected tropical diseases (NTDs) are caused by several parasites, fungi, bacteria and viruses and affect more than one billion people in the world. The control and prevention against NTDs need implementation of alternative methods for testing new compounds against these diseases. For the implementation of alternative methods, it is necessary to apply the principles of replacement, reduction and refinement (the 3Rs) for the use of laboratory animals. Accordingly, the present review addressed a variety of alternative models to study the infections caused by protozoa and fungi. Overall, vertebrate and invertebrate models of fungal infection have been used to elucidate hostpathogen interactions. However, until now the insect model has not been used in protozoal studies as an alternative method, but there is interest in the scientific community to try new tools to screen alternative drugs to control and prevent protozoal infections. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  8. Comparison of receptor models for source apportionment of volatile organic compounds in Beijing, China

    International Nuclear Information System (INIS)

    Song Yu; Dai Wei; Shao Min; Liu Ying; Lu Sihua; Kuster, William; Goldan, Paul

    2008-01-01

    Identifying the sources of volatile organic compounds (VOCs) is key to reducing ground-level ozone and secondary organic aerosols (SOAs). Several receptor models have been developed to apportion sources, but an intercomparison of these models had not been performed for VOCs in China. In the present study, we compared VOC sources based on chemical mass balance (CMB), UNMIX, and positive matrix factorization (PMF) models. Gasoline-related sources, petrochemical production, and liquefied petroleum gas (LPG) were identified by all three models as the major contributors, with UNMIX and PMF producing quite similar results. The contributions of gasoline-related sources and LPG estimated by the CMB model were higher, and petrochemical emissions were lower than in the UNMIX and PMF results, possibly because the VOC profiles used in the CMB model were for fresh emissions and the profiles extracted from ambient measurements by the two-factor analysis models were 'aged'. - VOCs sources were similar for three models with CMB showing a higher estimate for vehicles

  9. Comparison of receptor models for source apportionment of volatile organic compounds in Beijing, China

    Energy Technology Data Exchange (ETDEWEB)

    Song Yu; Dai Wei [Department of Environmental Sciences, Peking University, Beijing 100871 (China); Shao Min [State Joint Key Laboratory of Environmental Simulation and Pollution Control, Peking University, Beijing 100871 (China)], E-mail: mshao@pku.edu.cn; Liu Ying; Lu Sihua [State Joint Key Laboratory of Environmental Simulation and Pollution Control, Peking University, Beijing 100871 (China); Kuster, William; Goldan, Paul [Chemical Sciences Division, NOAA Earth System Research Laboratory, Boulder, CO 80305 (United States)

    2008-11-15

    Identifying the sources of volatile organic compounds (VOCs) is key to reducing ground-level ozone and secondary organic aerosols (SOAs). Several receptor models have been developed to apportion sources, but an intercomparison of these models had not been performed for VOCs in China. In the present study, we compared VOC sources based on chemical mass balance (CMB), UNMIX, and positive matrix factorization (PMF) models. Gasoline-related sources, petrochemical production, and liquefied petroleum gas (LPG) were identified by all three models as the major contributors, with UNMIX and PMF producing quite similar results. The contributions of gasoline-related sources and LPG estimated by the CMB model were higher, and petrochemical emissions were lower than in the UNMIX and PMF results, possibly because the VOC profiles used in the CMB model were for fresh emissions and the profiles extracted from ambient measurements by the two-factor analysis models were 'aged'. - VOCs sources were similar for three models with CMB showing a higher estimate for vehicles.

  10. A systematics of optical model compound nucleus formation cross sections for neutrons, proton, deuteron, 3He and alpha particle incidents

    International Nuclear Information System (INIS)

    Murata, Toru

    2000-01-01

    Simple formulae to reproduce the optical model compound nucleus formation cross sections for neutron, proton, deuteron, triton, 3 He and alpha particles are presented for target nuclei of light to medium weight mass region. (author)

  11. PAH concentrations in lake sediment decline following ban on coal-tar-based pavement sealants in Austin, Texas

    Science.gov (United States)

    Van Metre, Peter C.; Mahler, Barbara J.

    2013-01-01

    Recent studies have concluded that coal-tar-based pavement sealants are a major source of polycyclic aromatic hydrocarbons (PAHs) in urban settings in large parts of the United States. In 2006, Austin, TX, became the first jurisdiction in the U.S. to ban the use of coal-tar sealants. We evaluated the effect of Austin’s ban by analyzing PAHs in sediment cores and bottom-sediment samples collected in 1998, 2000, 2001, 2012, and 2014 from Lady Bird Lake, the principal receiving water body for Austin urban runoff. The sum concentration of the 16 EPA Priority Pollutant PAHs (∑PAH16) in dated core intervals and surficial bottom-sediment samples collected from sites in the lower lake declined about 44% from 1998–2005 to 2006–2014 (means of 7980 and 4500 μg kg–1, respectively), and by 2012–2014, the decline was about 58% (mean of 3320 μg kg–1). Concentrations of ∑PAH16 in bottom sediment from two of three mid-lake sites decreased by about 71 and 35% from 2001 to 2014. Concentrations at a third site increased by about 14% from 2001 to 2014. The decreases since 2006 reverse a 40-year (1959–1998) upward trend. Despite declines in PAH concentrations, PAH profiles and source-receptor modeling results indicate that coal-tar sealants remain the largest PAH source to the lake, implying that PAH concentrations likely will continue to decline as stocks of previously applied sealant gradually become depleted.

  12. Gc/ms analysis of coal tar composition produced from coal

    African Journals Online (AJOL)

    Coal pyrolysis is one of the significant approaches for the comprehensive utilization ... planigraphy-GC/MS; therefore a satisfactory analytical result obtained, which .... Among the aliphatic group of the coal tar, the proportion of alkene is larger ...

  13. Characterisation and catalytic upgrading of tars from coal-tyre hydropyrolysis

    Energy Technology Data Exchange (ETDEWEB)

    Mastral, A.M.; Murillo, R.; Callen, M.S.; Garcia, T. [Instituto de Carboquimica, Zaragoza (Spain)

    1999-07-01

    Tars from coal-tyre hydropyrolysis obtained in a swept fixed bed reactor were upgraded with catalysts. Upgraded oils were characterized, and naphtha, kerosene, gas oil, heavy gas oil and vacuum residue percentages were quantified. 7 refs., 3 tabs.

  14. 48 CFR 1201.301-70 - Amendment of (TAR) 48 CFR chapter 12.

    Science.gov (United States)

    2010-10-01

    ...) 48 CFR chapter 12 is maintained by the SPE through the TAR/TAM change process. This process consists... (C) To issue guidance which may be effective for a period of 1 year or less. (ii) Each TN will expire...

  15. Research and information needs for management of tar sands development. Interim report Apr-May 83

    Energy Technology Data Exchange (ETDEWEB)

    1983-05-01

    The report discusses important research and information needs for federal lease management of lands with tar sands resources. Short-term needs include more complete definition and characterization of deposits, hydrology, and regions downwind from tar sands areas. Longer-term needs include demonstration-scale operations to resolve production, waste management, and reclamation problems and to provide opportunities for measurement, analysis, and assessment of mining and processing wastes and emissions. Most of the known federal tar sands resource is in eastern Utah and contains about 25 billion barrels of bitumen. Recent legislation provides that existing mining claims and oil and gas leases may be converted to combined hydrocarbon leases including tar sands. Federal approval, which must be applied for by November 1983, is a condition for conversion.

  16. Multienzyme Immobilized Polymeric Membrane Reactor for the Transformation of a Lignin Model Compound

    Directory of Open Access Journals (Sweden)

    Rupam Sarma

    2018-04-01

    Full Text Available We have developed an integrated, multienzyme functionalized membrane reactor for bioconversion of a lignin model compound involving enzymatic catalysis. The membrane bioreactors were fabricated through the layer-by-layer assembly approach to immobilize three different enzymes (glucose oxidase, peroxidase and laccase into pH-responsive membranes. This novel membrane reactor couples the in situ generation of hydrogen peroxide (by glucose oxidase to oxidative conversion of a lignin model compound, guaiacylglycerol-β-guaiacyl ether (GGE. Preliminary investigation of the efficacy of these functional membranes towards GGE degradation is demonstrated under convective flow mode. Over 90% of the initial feed could be degraded with the multienzyme immobilized membranes at a residence time of approximately 22 s. GGE conversion product analysis revealed the formation of oligomeric oxidation products upon reaction with peroxidase, which may be a potential hazard to membrane bioreactors. These oxidation products could further be degraded by laccase enzymes in the multienzymatic membranes, explaining the potential of multi enzyme membrane reactors. The multienzyme incorporated membrane reactors were active for more than 30 days of storage time at 4 °C. During this time span, repetitive use of the membrane reactor was demonstrated involving 5–6 h of operation time for each cycle. The membrane reactor displayed encouraging performance, losing only 12% of its initial activity after multiple cycles of operation.

  17. Use on non-conjugate prior distributions in compound failure models. Final technical report

    International Nuclear Information System (INIS)

    Shultis, J.K.; Johnson, D.E.; Milliken, G.A.; Eckhoff, N.D.

    1981-12-01

    Several theoretical and computational techniques are presented for compound failure models in which the failure rate or failure probability for a class of components is considered to be a random variable. Both the failure-on-demand and failure-rate situation are considered. Ten different prior families are presented for describing the variation or uncertainty of the failure parameter. Methods considered for estimating values for the prior parameters from a given set of failure data are (1) matching data moments to those of the prior distribution, (2) matching data moments to those of the compound marginal distribution, and (3) the marginal maximum likelihood method. Numerical methods for computing the parameter estimators for all ten prior families are presented, as well as methods for obtaining estimates of the variances and covariance of the parameter estimators, it is shown that various confidence, probability, and tolerance intervals can be evaluated. Finally, to test the resulting failure models against the given failure data, generalized chi-squage and Kolmogorov-Smirnov goodness-of-fit tests are proposed together with a test to eliminate outliers from the failure data. Computer codes based on the results presented here have been prepared and are presented in a companion report

  18. Compounds from silicones alter enzyme activity in curing barnacle glue and model enzymes.

    Science.gov (United States)

    Rittschof, Daniel; Orihuela, Beatriz; Harder, Tilmann; Stafslien, Shane; Chisholm, Bret; Dickinson, Gary H

    2011-02-17

    Attachment strength of fouling organisms on silicone coatings is low. We hypothesized that low attachment strength on silicones is, in part, due to the interaction of surface available components with natural glues. Components could alter curing of glues through bulk changes or specifically through altered enzyme activity. GC-MS analysis of silicone coatings showed surface-available siloxanes when the coatings were gently rubbed with a cotton swab for 15 seconds or given a 30 second rinse with methanol. Mixtures of compounds were found on 2 commercial and 8 model silicone coatings. The hypothesis that silicone components alter glue curing enzymes was tested with curing barnacle glue and with commercial enzymes. In our model, barnacle glue curing involves trypsin-like serine protease(s), which activate enzymes and structural proteins, and a transglutaminase which cross-links glue proteins. Transglutaminase activity was significantly altered upon exposure of curing glue from individual barnacles to silicone eluates. Activity of purified trypsin and, to a greater extent, transglutaminase was significantly altered by relevant concentrations of silicone polymer constituents. Surface-associated silicone compounds can disrupt glue curing and alter enzyme properties. Altered curing of natural glues has potential in fouling management.

  19. Parallels between playbacks and Pleistocene tar seeps suggest sociality in an extinct sabretooth cat, Smilodon

    OpenAIRE

    Carbone, Chris; Maddox, Tom; Funston, Paul J.; Mills, Michael G.L.; Grether, Gregory F.; Van Valkenburgh, Blaire

    2008-01-01

    Inferences concerning the lives of extinct animals are difficult to obtain from the fossil record. Here we present a novel approach to the study of extinct carnivores, using a comparison between fossil records (n=3324) found in Late Pleistocene tar seeps at Rancho La Brea in North America and counts (n=4491) from playback experiments used to estimate carnivore abundance in Africa. Playbacks and tar seep deposits represent competitive, potentially dangerous encounters where multiple predators ...

  20. Selected constituents in the smokes of foreign commercial cigaretts: tar, nicotine, carbon monoxide, and carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Jenkins, R.A.; Quincy, R.B.; Guerin, M.R.

    1979-05-01

    The tar, nicotine, carbon monoxide, and carbon dioxide contents of the smokes of 220 brands of foreign commercial cigarettes are reported. In some instances, filter cigarettes of certain brands were found to deliver as much or more smoke constituents than their nonfilter counterparts. Also, data indicated that there can be a great variation in the tar, nicotine, or carbon monoxide content of the smoke of samples of a given brand of cigarettes, depending on the nation in which they are purchased. 24 tables.

  1. Natural attenuation of aged tar-oil in soils: A case study from a former gas production site

    Science.gov (United States)

    Ivanov, Pavel; Eickhorst, Thilo; Wehrer, Markus; Georgiadis, Anna; Rennert, Thilo; Eusterhues, Karin; Totsche, Kai Uwe

    2017-04-01

    unidentified, suggesting the presence of other microorganisms using high-molecular weight HC as carbon source. All contaminated layers were found to be enriched in total Fe and both dithionite-extractable and oxalate-extractable Fe. Besides, siderite crystals were identified using FTIR microscopy. The presence of secondary crystalline and poorly crystalline Fe(III)-oxides and secondary Fe(II)-carbonates in the same horizons suggests simultaneous occurrence of oxic and anoxic zones within the porous system of the contaminated layers. Although HC pollution is often considered to inhibit microbial activity in soil, in our study the layers with highest TPH-amounts were the most "alive". We assume that aging processes (the sum of volatilization, dissolution, microbial degradation, chemical oxidation, polymerization and migration) and eventually a long-term microbial adaption to the HC carbon source resulted in the development of a microbial consortium, capable of transforming high-molecular weight HC. Presumably, iron-compounds in the tar oil act as an electron acceptor and trigger HC degradation. However, to unravel natural attenuation processes and degradation pathways it seems mandatory to take into account the soil structure and spatial distribution of microbes.

  2. Statistical Assessment of Solvent Mixture Models Used for Separation of Biological Active Compounds

    Directory of Open Access Journals (Sweden)

    Lorentz Jäntschi

    2008-08-01

    Full Text Available Two mathematical models with seven and six parameters have been created for use as methods for identification of the optimum mobile phase in chromatographic separations. A series of chromatographic response functions were proposed and implemented in order to assess and validate the models. The assessment was performed on a set of androstane isomers. Pearson, Spearman, Kendall tau-a,b,c and Goodman-Kruskal correlation coefficients were used in order to identify and to quantify the link and its nature (quantitative, categorical, semi-quantitative, both quantitative and categorical between experimental values and the values estimated by the mathematical models. The study revealed that the six parameter model is valid and reliable for five chromatographic response factors (retardation factor, retardation factor ordered ascending by the chromatographic peak, resolution of pairs of compound, resolution matrix of successive chromatographic peaks, and quality factor. Furthermore, the model could be used as an instrument in analysis of the quality of experimental data. The results obtained by applying the model with six parameters for deviations of rank sums suggest that the data of the experiment no. 8 are questionable.

  3. APPLICATION OF A C-13 NMR TOPOLOGICAL MODEL TO THE STRUCTURE ELUCIDATION OF ORGANIC COMPOUNDS

    Institute of Scientific and Technical Information of China (English)

    袁身刚; 彭琛; 郑崇直

    1992-01-01

    This paper presents an approach which can elucidate automatically the structures of simple organic compounds from their C-13 NMR spectral data by using a computer. Based on a substructure/C-13 NMR chemical shift topological correlation model, the approach deduces the candidate substructures and the constraints for the substructure assembling from the molecular formula and C-13 NMR spectral data. Then, candidate structures are generated under these constraints by assembling the candidate substructures in a partial superposition manner. Candidate substructures or structures are evaluated once they are generated in order to eliminate those conflicting with the original data as early as possible. The evaluation of a (sub)structure is mainly carried out by simulating its C-13 NMR (sub) spectrum, which is again based on the model, and comparing the simulated spectrum with the original data.

  4. Core-level satellites and outer core-level multiplet splitting in Mn model compounds

    International Nuclear Information System (INIS)

    Nelson, A. J.; Reynolds, John G.; Roos, Joseph W.

    2000-01-01

    We report a systematic study of the Mn 2p, 3s, and 3p core-level photoemission and satellite structures for Mn model compounds. Charge transfer from the ligand state to the 3d metal state is observed and is distinguished by prominent shake-up satellites. We also observe that the Mn 3s multiplet splitting becomes smaller as the Mn oxidation state increases, and that 3s-3d electron correlation reduces the branching ratio of the 7 S: 5 S states in the Mn 3s spectra. In addition, as the ligand electronegativity decreases, the spin-state purity is lost in the 3s spectra, as evidenced by peak broadening. Our results are best understood in terms of the configuration-interaction model including intrashell electron correlation, charge transfer, and final-state screening. (c) 2000 American Vacuum Society

  5. The Compound Binomial Risk Model with Randomly Charging Premiums and Paying Dividends to Shareholders

    Directory of Open Access Journals (Sweden)

    Xiong Wang

    2013-01-01

    Full Text Available Based on characteristics of the nonlife joint-stock insurance company, this paper presents a compound binomial risk model that randomizes the premium income on unit time and sets the threshold for paying dividends to shareholders. In this model, the insurance company obtains the insurance policy in unit time with probability and pays dividends to shareholders with probability when the surplus is no less than . We then derive the recursive formulas of the expected discounted penalty function and the asymptotic estimate for it. And we will derive the recursive formulas and asymptotic estimates for the ruin probability and the distribution function of the deficit at ruin. The numerical examples have been shown to illustrate the accuracy of the asymptotic estimations.

  6. Isolation of CYP1A inducing components in coal tar fraction (F3) of Alaska north slope crude oil : a preliminary study

    Energy Technology Data Exchange (ETDEWEB)

    Saravanabhavan, G.; Brown, R.S. [Queen' s Univ., Kingston, ON (Canada). Dept. of Chemistry; Khan, C.W.; Hodson, P.V. [Queen' s Univ., Kingston, ON (Canada). Dept. of Biology

    2004-07-01

    Recent concerns regarding the effects of weathered crude oil on the early life stage of aquatic organisms are related to reports that blue sac disease (BSD) has been linked to larval fish exposed to crude oil. Studies have shown that a relationship exists between the induction of CYP1A enzymes and the occurrence of BSD in fish species. However, the mechanism of BSD is not fully understood. This study contributed to the Toxicity Identification and Evaluation (TIE) approach by isolating the CYP1A enzyme. An improved separation and analysis method for characterizing crude oil was also developed. Earlier studies revealed that the highest CYP1A activity occurred in the coal tar fraction of crude oil, which is rich in polycyclic aromatic hydrocarbons (PAH) and which contains many classes of compounds such as waxes, asphaltenes and resins. The TIE method included separation of these compound classes as well as a detailed characterization of the PAH classes. A solvent extraction method was also developed to fractionate the coal tar fraction into compound classes with particular emphasis on isolating PAH components. The study showed that fractions rich in PAH were responsible for a significant CYP1A induction in juvenile trout, but fractions poor in PAH did not. The solid phase extraction method offered better PAH fractions for further analysis by liquid chromatography.

  7. Modeling volatile organic compounds sorption on dry building materials using double-exponential model

    International Nuclear Information System (INIS)

    Deng, Baoqing; Ge, Di; Li, Jiajia; Guo, Yuan; Kim, Chang Nyung

    2013-01-01

    A double-exponential surface sink model for VOCs sorption on building materials is presented. Here, the diffusion of VOCs in the material is neglected and the material is viewed as a surface sink. The VOCs concentration in the air adjacent to the material surface is introduced and assumed to always maintain equilibrium with the material-phase concentration. It is assumed that the sorption can be described by mass transfer between the room air and the air adjacent to the material surface. The mass transfer coefficient is evaluated from the empirical correlation, and the equilibrium constant can be obtained by linear fitting to the experimental data. The present model is validated through experiments in small and large test chambers. The predicted results accord well with the experimental data in both the adsorption stage and desorption stage. The model avoids the ambiguity of model constants found in other surface sink models and is easy to scale up

  8. Inhaled smoke volume and puff indices with cigarettes of different tar and nicotine levels

    International Nuclear Information System (INIS)

    Woodman, G.; Newman, S.P.; Pavia, D.; Clarke, S.W.

    1987-01-01

    Ten asymptomatic smokers each smoked a low, low-to-middle and a middle tar cigarette with approximately the same tar-to-nicotine ratio, in a randomised order. The inhaled smoke volume was measured by tracing the smoke with the inert gas 81 Kr m . Puffing indices were recorded using an electronic smoking analyser and flowhead/cigarette holder. Throughout the study neither the mean inhaled smoke volume per puff nor the total inhaled smoke volume per cigarette changed significantly; however, the mean and total puff volumes were largest with the low tar cigarette and decreased with the higher tar brands. Puff volume was related to puff work (r s =0.83,P s =0.10,P>0.1). It is concluded that when switched between brands with the same tar-to-nicotine ratio, smokers increase their puff volumes with a lower tar cigarette but do not change the volume of smoke inhaled. Puff work and puff resistance were significantly correlated (r s =0.45,P<0.02). (author)

  9. Influence of cigarette filter ventilation on smokers' mouth level exposure to tar and nicotine.

    Science.gov (United States)

    Caraway, John W; Ashley, Madeleine; Bowman, Sheri A; Chen, Peter; Errington, Graham; Prasad, Krishna; Nelson, Paul R; Shepperd, Christopher J; Fearon, Ian M

    2017-12-01

    Cigarette filter ventilation allows air to be drawn into the filter, diluting the cigarette smoke. Although machine smoking reveals that toxicant yields are reduced, it does not predict human yields. The objective of this study was to investigate the relationship between cigarette filter ventilation and mouth level exposure (MLE) to tar and nicotine in cigarette smokers. We collated and reviewed data from 11 studies across 9 countries, in studies performed between 2005 and 2013 which contained data on MLE from 156 products with filter ventilation between 0% and 87%. MLE among 7534 participants to tar and nicotine was estimated using the part-filter analysis method from spent filter tips. For each of the countries, MLE to tar and nicotine tended to decrease as filter ventilation increased. Across countries, per-cigarette MLE to tar and nicotine decreased as filter ventilation increased from 0% to 87%. Daily MLE to tar and nicotine also decreased across the range of increasing filter ventilation. These data suggest that on average smokers of highly ventilated cigarettes are exposed to lower amounts of nicotine and tar per cigarette and per day than smokers of cigarettes with lower levels of ventilation. Copyright © 2017 British American Tobacco. Published by Elsevier Inc. All rights reserved.

  10. Low-temperature tar from bituminous coal and its further treatment

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, C J

    1950-01-01

    High-temperature carbonization of bituminous coal yields only 3 to 4 percent tar, as compared with 8 to 10 percent or even more for low-temperature carbonization. The yield of phenols is 20 to 30 times as great from the low-temperature tar. Five conditions that must be met by a satisfactory low-temperature carbonization process are listed. The only method that satisfies all of these conditions is the Brennstoff-Technik (BT) process, in which iron retorts with movable walls are used. One disadvantage of most of the other processes is the high-pitch content of the tar. These tars are processed further to a neutral oil and a phenol-containing oil which are good diesel fuels with high-cetane numbers; the neutral oil can be fractionated to give oils of high-, medium-, and low-cetane number. Attempts to fractionate the tar oil by solvents have not proved commercially useful. However, the tar can be diluted with low-temperature light oil and phenols extracted with NaOH solution without distillation. Some difficulty is found, owing to the simultaneous extraction of viscous resins and other products that are readily removed from the phenols by distillation.

  11. Catalytic decomposition of tar derived from wood waste pyrolysis using Indonesian low grade iron ore as catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Wicakso, Doni Rahmat [Chemical Engineering Department, Faculty of Engineering, Lambung Mangkurat University, Jalan A. Yani KM. 36 Banjarbaru, 70714, South Kalimantan (Indonesia); Chemical Engineering Department, Faculty of Engineering, Gadjah Mada University, Jalan Grafika No. 2 Bulaksumur, Yogyakarta, 55281 (Indonesia); Sutijan; Rochmadi [Chemical Engineering Department, Faculty of Engineering, Gadjah Mada University, Jalan Grafika No. 2 Bulaksumur, Yogyakarta, 55281 (Indonesia); Budiman, Arief, E-mail: abudiman@ugm.ac.id [Chemical Engineering Department, Faculty of Engineering, Gadjah Mada University, Jalan Grafika No. 2 Bulaksumur, Yogyakarta, 55281 (Indonesia); Center for Energy Studies, Gadjah Mada University, Sekip K1A, Yogyakarta, 55281 (Indonesia)

    2016-06-03

    Low grade iron ore can be used as an alternative catalyst for bio-tar decomposition. Compared to other catalysts, such as Ni, Rd, Ru, Pd and Pt, iron ore is cheaper. The objective of this research was to investigate the effect of using low grade iron ore as catalyst for tar catalytic decomposition in fixed bed reactor. Tar used in this experiment was pyrolysis product of wood waste while the catalyst was Indonesian low grade iron ore. The variables studied were temperatures between 500 – 600 °C and catalyst weight between 0 – 40 gram. The first step, tar was evaporated at 450 °C to produce tar vapor. Then, tar vapor was flowed to fixed bed reactor filled low grade iron ore. Gas and tar vapor from reactor was cooled, then the liquid and uncondensable gas were analyzed by GC/MS. The catalyst, after experiment, was weighed to calculate total carbon deposited into catalyst pores. The results showed that the tar components that were heavy and light hydrocarbon were decomposed and cracked within the iron ore pores to from gases, light hydrocarbon (bio-oil) and carbon, thus decreasing content tar in bio-oil and increasing the total gas product. In conclusion, the more low grade iron ore used as catalyst, the tar content in the liquid decrease, the H{sup 2} productivity increased and calorimetric value of bio-oil increased.

  12. Sydney Tar Ponds: Some problems in quantifying toxic waste

    Energy Technology Data Exchange (ETDEWEB)

    Furimsky, E. [IMAF Group, Ottawa, ON (Canada)

    2002-07-01

    Information on the type and amount of hazardous and toxic waste is required to develop a meaningful strategy and estimate a realistic cost for clean up of the Sydney Tar Pond site which is located on Cape Breton, in the province of Nova Scotia, Canada. The site covers the area of the decommissioned Sysco (Sydney Steel Corporation) plant. The materials of concern include BTEX (benzene, toluene, ethylbenzene, and xylenes), PAH (polycyclic aromatic hydrocarbons), PCB (polychlorinated biphenyl), and particulates laden with toxic metals, such as arsenic, lead, and others. The originally nontoxic materials such as soil, blast furnace slag, and vegetation, as well as surface and ground waters, which were subsequently contaminated, must also be included if they fail tests prescribed by environmental regulations. An extensive sampling program must be undertaken to obtain data for an accurate estimate of the waste to be cleaned and disposed of. Apparently, 700,000 tons of toxic waste which is believed to be present on the site, may represent only a fraction of the actual amount. The clean-up of the site is only part of the solution. Toxic waste has to be disposed of in accordance with environmental regulations.

  13. Sydney tar ponds: some problems in quantifying toxic waste.

    Science.gov (United States)

    Furimsky, Edward

    2002-12-01

    Information on the type and amount of hazardous and toxic waste is required to develop a meaningful strategy and estimate a realistic cost for clean up of the Sydney Tar Pond site which is located on Cape Breton, in the province of Nova Scotia, Canada. The site covers the area of the decommissioned Sysco (Sydney Steel Corporation) plant. The materials of concern include BTEX (benzene, toluene, ethylbenzene, and xylenes), PAH (polycyclic aromatic hydrocarbons), PCB (polychlorinated biphenyl), and particulates laden with toxic metals, such as arsenic, lead, and others. The originally nontoxic materials such as soil, blast furnace slag, and vegetation, as well as surface and ground waters, which were subsequently contaminated, must also be included if they fail tests prescribed by environmental regulations. An extensive sampling program must be undertaken to obtain data for an accurate estimate of the waste to be cleaned and disposed of. Apparently, 700,000 tons of toxic waste, which is believed to be present on the site, may represent only a fraction of the actual amount. The clean-up of the site is only part of the solution. Toxic waste has to be disposed of in accordance with environmental regulations.

  14. A clinical study of oropharyngeal carcinoma. Chemoradioselection by TAR therapy

    International Nuclear Information System (INIS)

    Wada, Tetsuro; Yoshimura, Tomonori; Ohara, Hirotatsu

    2013-01-01

    The data of 91 patients with oropharyngeal carcinoma treated at the University of Tsukuba Hospital between 2002 and 2011 were reviewed. The mean age (±standard deviation) was 62.5 (±10.2) years and the male-female ratio was 5.5 : 1. The tumor originated from the lateral wall in 58 cases (63.7%), the anterior wall in 22 cases (24.2%), the superior wall in 8 cases (8.8%), and the posterior wall in 3 cases (3.3%). Six cases were revealed to be positive for human papilloma virus (HPV) among the 7 cases examined. Only supportive care was administered in 12 cases. The remaining 79 cases were treated, and the disease-specific 5-year survival rate was 55.6%. Smoking and alcohol consumption were significantly related to the disease-specific survival rate. At our department, chemoradiotherapy is initiated with 45 Gy of radiation concurrently with a novel oral fluoropyrimidine derivative (Teysuno, Taiho Phamaceutical Co., Ltd.) and vitamin A (TAR therapy), to improve the rate of curative surgical resection and select appropriate candidates for further definitive chemoradiotherapy to allow organ preservation (chemoradioselection). Chemoselection by induction chemotherapy, or chemoradioselection by initial concurrent chemoradiotherapy is considered to be important to make individualized treatment selection for patients with oropharyngeal carcinoma, because of the highly variable response to definitive chemoradiotherapy among cases. (author)

  15. First experimental results on the IShTAR testbed

    Energy Technology Data Exchange (ETDEWEB)

    D’Inca, R.; Jacquot, J.; Ochoukov, R.; Morgal, I.; Fünfgelder, H.; Faugel, H. [Max-Planck-Institut für Plasmaphysik, Garching (Germany); Crombe, K.; Louche, F.; Van Eester, D. [LPP-ERM-KMS, TEC partner, Brussels (Belgium); Heuraux, S.; Devaux, S.; Moritz, J.; Faudot, E. [Institut Jean Lamour UMR 7198 CNRS-Université de Lorraine, Nancy (France); Noterdaeme, J.-M. [Max-Planck-Institut für Plasmaphysik, Garching (Germany); Department of Applied Physics, Ghent University (Belgium)

    2015-12-10

    IShTAR (Ion cyclotron Sheath Test ARrangement) is a linear magnetized plasma test facility dedicated to the investigation of RF wave/plasma interaction [1] in the Ion Cyclotron Range of Frequencies (ICRF). It provides a better accessibility for the instrumentation than tokamaks while being representative of the neighboring region of the wave emitter. It is equipped with a magnetized plasma source (1 m long, 0.4 m diameter) powered by a helical antenna up to 3 kW at 11 MHz. We present the results of the first analysis of the plasma characteristics (plasma density, electron temperature) in function of the operating parameters (injected power, neutral pressure and magnetic field) as measured with fixed and movable Langmuir probes, spectrometer and cameras. The plasma is presently produced only by the helical antenna (no ICRF). We show that the plasma exists in three regime depending on the power level: the first two ones are stable and separated by a jump in density; a first spatial profile of the plasma density has been established for these modes; The third mode is unstable, characterized by strong oscillations of the plasma tube position.

  16. Topical tazarotene vs. coal tar in stable plaque psoriasis

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, U.; Kaur, I.; Dogra, S.; De, D.; Kumar, B. [Postgraduate Institute of Medical Education & Research, Chandigarh (India)

    2010-07-15

    The efficacy of topical tazarotene has not previously been compared with the conventional topical treatment of crude coal tar (CCT) in stable plaque psoriasis. In this nonblinded side-to-side comparison study, patients with chronic stable plaque psoriasis, who had bilaterally symmetrical plaques on the limbs, applied 0.1% tazarotene gel on the right side and 5% CCT ointment on the left side once daily for 12 weeks followed by an 8-week treatment-free follow up period. Severity of psoriatic lesions and response to treatment was evaluated by scoring erythema, scaling and induration (ESI). Of 30 patients recruited, 27 could be assessed. In the per-protocol analysis, the mean percentage reduction in ESI score at the end of the treatment period was 74.15% {+-} 9.43 and 77.37% {+-} 10.93 with tazarotene and CCT, respectively (P {gt} 0.05). A reduction in ESI score of {gt} 75% was seen in 11 (40.74%) and 16 (59.26%) patients with tazarotene and CCT, respectively, at the end of 12 weeks. Side-effects were seen in 48.14% of patients treated with tazarotene, but in no patient treated with CCT. Tazarotene 0.1% gel has comparable clinical efficacy to CCT 5% ointment. CCT ointment remains a cost-effective therapy for plaque psoriasis.

  17. Source targeting tar balls along the southern Louisiana coastline

    International Nuclear Information System (INIS)

    Boerts, P.O.; Henry, C.B. Jr.; Overton, E.B.

    1993-01-01

    Stranded oil and tarballs deposited along the southern coast of Louisiana were source targeted, or compared for petroleum similarities, during 1992. The distribution, frequency, and composition of the stranded oil was assessed for specific study sites covering about 200 miles of the Louisiana coastline. Petroleum transportation off Louisiana shores is in the millions of barrels; with the Louisiana Offshore Oil Port receiving more than 200 million barrels per year. Also contributing to this transportation system are the outer continental shelf production activities, transporting 98 percent of their production by pipeline and 2 percent by barge. The questions addressed here are: What are the sources of the stranded oil and tar found upon the beaches? Are they primarily from small unrelated events, or are they from chronic discharges of identifiable sources? Preliminary data indicates a wide range of petroleum sources, with bunker oils most abundant. The petroleum has undergone varying degrees of weathering, or degradation by environmental processes. Preliminary data indicate relatively undegraded as well as extremely degraded petroleum, with no apparent correlation with study stations. Stations selected along the coastline were biannually surveyed, and petroleum samples collected were quantitatively assessed for petroleum per square meter per station. For a complete chemical assessment, the samples were qualitatively analyzed by detailed gas chromatography/mass spectrometry (GC/MS) characterization and source fingerprinting using selective ion monitoring (SIM). The results were plotted in a cluster matrix to highlight the number of possible sources and the chemical characteristics of the petroleum found

  18. X-ray magnetic circular dichroism in (Ge,Mn) compounds: Experiments and modeling

    International Nuclear Information System (INIS)

    Tardif, Samuel; Titov, Andrey; Arras, Emmanuel; Slipukhina, Ivetta; Hlil, El-Kébir; Cherifi, Salia; Joly, Yves; Jamet, Matthieu; Barski, André; Cibert, Joël; Kulatov, Erkin; Uspenskii, Yurii A.; Pochet, Pascal

    2014-01-01

    X-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD) spectra at the L 2,3 edges of Mn in (Ge,Mn) compounds have been measured and are compared to the results of first principles calculation. Early ab initio studies show that the Density Functional Theory (DFT) can very well describe the valence band electronic properties but fails to reproduce a characteristic change of sign in the L 3 XMCD spectrum of Mn in Ge 3 Mn 5 , which is observed in experiments. In this work we demonstrate that this disagreement is partially related to an underestimation of the exchange splitting of Mn 2p core states within the local density approximation. It is shown that the change in sign experimentally observed is reproduced if the exchange splitting is accurately calculated within the Hartree–Fock approximation, while the final states can be still described by the DFT. This approach is further used to calculate the XMCD in different (Ge,Mn) compounds. It demonstrates that the agreement between experimental and theoretical spectra can be improved by combining state of the art calculations for the core and valence states respectively. - Highlights: • X-ray absorption and magnetic circular dichroism spectra are measured and compared to first principles calculations in (Ge,Mn) compounds. • Standard density functional theory fails in properly describing peculiar features observed in the experiment. • A new approach to calculate theoretical X-ray absorption and magnetic circular dichroism spectra is proposed. • Improved modeling of the core levels splitting using the Hartree–Fock approximation allows for a better matching with the experiment. • This new method could be generalized to any 3d metallic-like system

  19. Overlapping gene expression profiles of model compounds provide opportunities for immunotoxicity screening

    International Nuclear Information System (INIS)

    Baken, Kirsten A.; Pennings, Jeroen L.A.; Jonker, Martijs J.; Schaap, Mirjam M.; Vries, Annemieke de; Steeg, Harry van; Breit, Timo M.; Loveren, Henk van

    2008-01-01

    In order to investigate immunotoxic effects of a set of model compounds in mice, a toxicogenomics approach was combined with information on macroscopical and histopathological effects on spleens and on modulation of immune function. Bis(tri-n-butyltin)oxide (TBTO), cyclosporin A (CsA), and benzo[a]pyrene (B[a]P) were administered to C57BL/6 mice at immunosuppressive dose levels. Acetaminophen (APAP) was included in the study since indications of immunomodulating properties of this compound have appeared in the literature. TBTO exposure caused the most pronounced effect on gene expression and also resulted in the most severe reduction of body weight gain and induction of splenic irregularities. All compounds caused inhibition of cell division in the spleen as shown by microarray analysis as well as by suppression of lymphocyte proliferation after application of a contact sensitizer as demonstrated in an immune function assay that was adapted from the local lymph node assay. The immunotoxicogenomics approach applied in this study thus pointed to immunosuppression through cell cycle arrest as a common mechanism of action of immunotoxicants, including APAP. Genes related to cell division such as Ccna2, Brca1, Birc5, Incenp, and Cdkn1a (p21) were identified as candidate genes to indicate anti-proliferative effects of xenobiotics in immune cells for future screening assays. The results of our experiments also show the value of group wise pathway analysis for detection of more subtle transcriptional effects and the potency of evaluation of effects in the spleen to demonstrate immunotoxicity

  20. Study on Evaporation Characteristics of Bio-oil and its Compound Models

    Directory of Open Access Journals (Sweden)

    Tan Long

    2014-05-01

    Full Text Available In this study, bio-oil was analyzed by gas chromatography mass spectrometry (GC-MS, and the evaporation characteristics of bio-oil were studied at different heating rates (10, 20, and 30 °C/min from 35 °C to 250 °C by a thermal analyzer (TG-DSC. The TG-DSC results of bio-oil showed that the heat requirement of bio-oil during the evaporation process ranged from 2.072103 to 2.299103 J/g, and the bio-oil activation energy ranged from 1.22×104 to 3.34×104 J/mol. Moreover, four models with five compounds (methanol, water, ethanol, furfural, and phenol were established to study the bio-oil evaporation process. By comparing the TG-DSC results of bio-oil and its models at 30 °C/min, it was shown that the optimal model was model 2, which has the following chemical composition: methanol (27.10 wt.%, water (44.96 wt.%, ethanol (16.24 wt.%, furfural (4.40 wt.%, and phenol (7.30 wt.%. Model 2 exhibited a minimal relative error in dynamic parameters and characteristic curve parameters. The errors for activation energy of the TG, activation energy of the DSC, maximum endothermic rates, and the total of the heat absorption were 3.04%, 5.88%, 2.49%, and 1.06%, respectively.

  1. Modeling Human Exposure Levels to Airborne Volatile Organic Compounds by the Hebei Spirit Oil Spill

    Science.gov (United States)

    Kim, Jong Ho; Kwak, Byoung Kyu; Ha, Mina; Cheong, Hae-Kwan

    2012-01-01

    Objectives The goal was to model and quantify the atmospheric concentrations of volatile organic compounds (VOCs) as the result of the Hebei Spirit oil spill, and to predict whether the exposure levels were abnormally high or not. Methods We developed a model for calculating the airborne concentration of VOCs that are produced in an oil spill accident. The model was applied to a practical situation, namely the Hebei Spirit oil spill. The accuracy of the model was verified by comparing the results with previous observation data. The concentrations were compared with the currently used air quality standards. Results Evaporation was found to be 10- to 1,000-fold higher than the emissions produced from a surrounding industrial complex. The modeled concentrations for benzene failed to meet current labor environmental standards, and the concentration of benzene, toluene, ortho- meta- para-xylene were higher than the values specified by air quality standards and guideline values on the ocean. The concentrations of total VOCs were much higher than indoor environmental criteria for the entire Taean area for a few days. Conclusions The extent of airborne exposure was clearly not the same as that for normal conditions. PMID:22468262

  2. Development of a whole-organism model to screen new compounds for sun protection.

    Science.gov (United States)

    Wang, Yun-Hsin; Wen, Chi-Chung; Yang, Zhi-Shiang; Cheng, Chien-Chung; Tsai, Jen-Ning; Ku, Chia-Chen; Wu, Hsin-Ju; Chen, Yau-Hung

    2009-01-01

    We used zebrafish as a whole-organism model to screen new compounds for sun protection activity. First of all, we designed a series of UVB exposure experiments and recorded the phenotypic changes of zebrafish embryos. Results showed that 100 mJ/cm(2) of UVB given six times separated by 30 min intervals is the best condition. Fin malformation (reduced and/or absent fin) phenotypes are the most evident consequences after exposure to UVB. Each fin was affected by UVB, including pelvic, ventral, caudal, and dorsal fin, but pelvic fin seemed to be the most sensitive target after UVB exposure. We furthermore carried out "prevention" and "treatment" experiments using green tea extract and/or (-)-epigallocatechin (EGCG) to test this whole-organism model by observing the morphological changes of all fins (especially pelvic fin) after UVB exposure. Effects of UVB, green tea extract and EGCG on fin development were assessed using the Kaplan-Meier analysis, log-rank test and Cox proportional hazards regression. Results showed that a zebrafish pelvic fin in the UVB + green tea (treatment) group is 5.51 (range from 2.39 to 14.90) times, one in the UVB + green tea (prevention) group is 7.04 (range from 3.11 to 18.92) times, and one in the 25 ppm of EGCG (prevention) group is 22.19 (range from 9.40 to 61.50) times more likely to return to normal fin than one in the UVB only group. On the basis of these observations, we believe this model is effective for screening the higher stability and lower toxicity of new compounds, such as small chemicals which are derivative from EGCG or other dietary agents for sun protection.

  3. Transformations of Phenolic Compounds in an in vitro Model Simulating the Human Alimentary Tract

    Directory of Open Access Journals (Sweden)

    Aleksandra Duda-Chodak

    2009-01-01

    Full Text Available The aim of this work is to establish the antioxidant properties of polyphenolic compounds of selected fruits before and after their transformations during digestion. The experiment was conducted in in vitro conditions on a set of dialysis membranes which simulated the human digestive tract. Apples of the Šampion, Malinowka and Golden Delicious cultivars, black chokeberry, banana, Wegierka zwykla blue plum, melon and Lukasowka pear were chosen for examination. It was found that compounds obtained after simulated digestion of chokeberries, pears and bananas showed lower antioxidant potential than fresh fruits, while the opposite results were obtained for apples and plums. All dialysates obtained after digestion were characterized by lower content of total polyphenols in comparison with raw material (fresh fruits. It was found that the polyphenols were hydrolyzed, especially glycosides of quercetin and cyanidin. Phenolic acids and cyanidin were characterized by low availability for absorption, whereas catechin and quercetin had a very high level of accessibility in the model small intestine.

  4. Empirical modeling of drying kinetics and microwave assisted extraction of bioactive compounds from Adathoda vasica

    Directory of Open Access Journals (Sweden)

    Prithvi Simha

    2016-03-01

    Full Text Available To highlight the shortcomings in conventional methods of extraction, this study investigates the efficacy of Microwave Assisted Extraction (MAE toward bioactive compound recovery from pharmaceutically-significant medicinal plants, Adathoda vasica and Cymbopogon citratus. Initially, the microwave (MW drying behavior of the plant leaves was investigated at different sample loadings, MW power and drying time. Kinetics was analyzed through empirical modeling of drying data against 10 conventional thin-layer drying equations that were further improvised through the incorporation of Arrhenius, exponential and linear-type expressions. 81 semi-empirical Midilli equations were derived and subjected to non-linear regression to arrive at the characteristic drying equations. Bioactive compounds recovery from the leaves was examined under various parameters through a comparative approach that studied MAE against Soxhlet extraction. MAE of A. vasica reported similar yields although drastic reduction in extraction time (210 s as against the average time of 10 h in the Soxhlet apparatus. Extract yield for MAE of C. citratus was higher than the conventional process with optimal parameters determined to be 20 g sample load, 1:20 sample/solvent ratio, extraction time of 150 s and 300 W output power. Scanning Electron Microscopy and Fourier Transform Infrared Spectroscopy were performed to depict changes in internal leaf morphology.

  5. Characterization of Novel Antimalarial Compound ACT-451840: Preclinical Assessment of Activity and Dose-Efficacy Modeling.

    Science.gov (United States)

    Le Bihan, Amélie; de Kanter, Ruben; Angulo-Barturen, Iñigo; Binkert, Christoph; Boss, Christoph; Brun, Reto; Brunner, Ralf; Buchmann, Stephan; Burrows, Jeremy; Dechering, Koen J; Delves, Michael; Ewerling, Sonja; Ferrer, Santiago; Fischli, Christoph; Gamo-Benito, Francisco Javier; Gnädig, Nina F; Heidmann, Bibia; Jiménez-Díaz, María Belén; Leroy, Didier; Martínez, Maria Santos; Meyer, Solange; Moehrle, Joerg J; Ng, Caroline L; Noviyanti, Rintis; Ruecker, Andrea; Sanz, Laura María; Sauerwein, Robert W; Scheurer, Christian; Schleiferboeck, Sarah; Sinden, Robert; Snyder, Christopher; Straimer, Judith; Wirjanata, Grennady; Marfurt, Jutta; Price, Ric N; Weller, Thomas; Fischli, Walter; Fidock, David A; Clozel, Martine; Wittlin, Sergio

    2016-10-01

    Artemisinin resistance observed in Southeast Asia threatens the continued use of artemisinin-based combination therapy in endemic countries. Additionally, the diversity of chemical mode of action in the global portfolio of marketed antimalarials is extremely limited. Addressing the urgent need for the development of new antimalarials, a chemical class of potent antimalarial compounds with a novel mode of action was recently identified. Herein, the preclinical characterization of one of these compounds, ACT-451840, conducted in partnership with academic and industrial groups is presented. The properties of ACT-451840 are described, including its spectrum of activities against multiple life cycle stages of the human malaria parasite Plasmodium falciparum (asexual and sexual) and Plasmodium vivax (asexual) as well as oral in vivo efficacies in two murine malaria models that permit infection with the human and the rodent parasites P. falciparum and Plasmodium berghei, respectively. In vitro, ACT-451840 showed a 50% inhibition concentration of 0.4 nM (standard deviation [SD]: ± 0.0 nM) against the drug-sensitive P. falciparum NF54 strain. The 90% effective doses in the in vivo efficacy models were 3.7 mg/kg against P. falciparum (95% confidence interval: 3.3-4.9 mg/kg) and 13 mg/kg against P. berghei (95% confidence interval: 11-16 mg/kg). ACT-451840 potently prevented male gamete formation from the gametocyte stage with a 50% inhibition concentration of 5.89 nM (SD: ± 1.80 nM) and dose-dependently blocked oocyst development in the mosquito with a 50% inhibitory concentration of 30 nM (range: 23-39). The compound's preclinical safety profile is presented and is in line with the published results of the first-in-man study in healthy male participants, in whom ACT-451840 was well tolerated. Pharmacokinetic/pharmacodynamic (PK/PD) modeling was applied using efficacy in the murine models (defined either as antimalarial activity or as survival) in relation to area under

  6. Experimental validation of a model for diffusion-controlled absorption of organic compounds in the trachea

    Energy Technology Data Exchange (ETDEWEB)

    Gerde, P. [National Inst. for Working Life, Solna (Sweden); Muggenburg, B.A.; Thornton-Manning, J.R. [and others

    1995-12-01

    Most chemically induced lung cancer originates in the epithelial cells in the airways. Common conceptions are that chemicals deposited on the airway surface are rapidly absorbed through mucous membranes, limited primarily by the rate of blood perfusion in the mucosa. It is also commonly thought that for chemicals to induce toxicity at the site of entry, they must be either rapidly reactive, readily metabolizable, or especially toxic to the tissues at the site of entry. For highly lipophilic toxicants, there is a third option. Our mathematical model predicts that as lipophilicity increases, chemicals partition more readily into the cellular lipid membranes and diffuse more slowly through the tissues. Therefore, absorption of very lipophilic compounds will be almost entirely limited by the rate of diffusion through the epithelium rather than by perfusion of the capillary bed in the subepithelium. We have reported on a preliminary model for absorption through mucous membranes of any substance with a lipid/aqueous partition coefficient larger than one. The purpose of this work was to experimentally validate the model in Beagle dogs. This validated model on toxicant absorption in the airway mucosa will improve risk assessment of inhaled

  7. Cardioprotective Effect of the Compound Yangshen Granule in Rat Models with Acute Myocardial Infarction

    Directory of Open Access Journals (Sweden)

    Xie Ming

    2012-01-01

    Full Text Available The protective effect of Compound Yangshen Granules was observed in myocardial infarction rat model. Rats were randomly divided into 6 groups: the model group, the control group (sham operated, the positive drug group, and small, medium, and large dosage of the Yangshen granule groups, respectively. The rats in the 3 Yangshen granule groups were orally administrated with 0.7 g/kg, 1.4 g/kg, and 2.8 g/kg for 7 consecutive days, whereas the rats of the positive drug group treated with 0.14 g/kg of Danshen Dropping Pills, and rats in the control and model groups orally administrated with saline. The rat model of acute myocardial infarction was established with ligation of coronary artery. Electrocardiograms at different time points, the blood rheology, myocardial enzymes, infarct size, and myocardial morphologic changes were measured. The results demonstrated that the granules could improve blood rheology, decrease st-segment of electrocardiograms and the activities of LDH and CK in serum, reduce myocardial infarction size, and alleviate myocardial histopathologic changes. In addition, the effect of the granules depended on the dose administrated orally. The results suggest that the Yangshen granules could produce cardioprotection effect and have potential benefits in the prevention of ischemic heart disease.

  8. Assessment of predictivity of volatile organic compounds carcinogenicity and mutagenicity by freeware in silico models.

    Science.gov (United States)

    Guerra, Lília Ribeiro; de Souza, Alessandra Mendonça Teles; Côrtes, Juliana Alves; Lione, Viviane de Oliveira Freitas; Castro, Helena Carla; Alves, Gutemberg Gomes

    2017-12-01

    The application of in silico methods is increasing on toxicological risk prediction for human and environmental health. This work aimed to evaluate the performance of three in silico freeware models (OSIRIS v.2.0, LAZAR, and Toxtree) on the prediction of carcinogenicity and mutagenicity of thirty-eight volatile organic compounds (VOC) related to chemical risk assessment for occupational exposure. Theoretical data were compared with assessments available in international databases. Confusion matrices and ROC curves were used to evaluate the sensitivity, specificity, and accuracy of each model. All three models (OSIRIS, LAZAR and Toxtree) were able to identify VOC with a potential carcinogenicity or mutagenicity risk for humans, however presenting differences concerning the specificity, sensitivity, and accuracy. The best predictive performances were found for OSIRIS and LAZAR for carcinogenicity and OSIRIS for mutagenicity, as these softwares presented a combination of negative predictive power and lower risk of false positives (high specificity) for those endpoints. The heterogeneity of results found with different softwares reinforce the importance of using a combination of in silico models to occupational toxicological risk assessment. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Modeled exposure assessment via inhalation and dermal pathways to airborne semivolatile organic compounds (SVOCs) in residences.

    Science.gov (United States)

    Shi, Shanshan; Zhao, Bin

    2014-05-20

    Exposure to airborne semivolatile organic compounds (SVOCs) in indoor and outdoor environments of humans may lead to adverse health risks. Thus, we established a model to evaluate exposure to airborne SVOCs. In this model, SVOCs phase-specific concentrations were estimated by a kinetic partition model accounting for particle dynamics. The exposure pathways to airborne SVOCs included inhalation exposure to gas- and particle-phases, dermal exposure by direct gas-to-skin pathway and dermal exposure by direct particle deposition. Exposures of defined "reference people" to two typical classifications of SVOCs, one generated from both indoor and outdoor sources, represented by polycyclic aromatic hydrocarbons (PAHs), and the other generated mainly from only indoor sources, represented by di 2-ethylhexyl phthalate (DEHP), were analyzed as an example application of the model. For PAHs with higher volatility, inhalation exposure to gas-phase, ranging from 6.03 to 16.4 ng/kg/d, accounted for the most of the exposure to the airborne phases. For PAHs with lower volatility, inhalation exposure to particle-phase, ranging from 1.48 to 1.53 ng/kg/d, was the most important exposure pathway. As for DEHP, dermal exposure via direct gas-to-skin pathway was 460 ng/kg/d, which was the most striking exposure pathway when the barrier effect of clothing was neglected.

  10. Development of a canine model to enable the preclinical assessment of pH-dependent absorption of test compounds.

    Science.gov (United States)

    Fancher, R Marcus; Zhang, Hongjian; Sleczka, Bogdan; Derbin, George; Rockar, Richard; Marathe, Punit

    2011-07-01

    A preclinical canine model capable of predicting a compound's potential for pH-dependent absorption in humans was developed. This involved the surgical insertion of a gastrostomy feeding tube into the stomach of a beagle dog. The tube was sutured in position to allow frequent withdrawal of gastric fluid for pH measurement. Therefore, it was possible to measure pH in the stomach and assess the effect of gastric pH-modifying agents on the absorption of various test compounds. Fasted gastric pH in the dog showed considerable inter- and intra-animal variability. Pretreatment of pentagastrin (6 µg/kg intramuscularly) 20 min prior to test compound administration was determined to be adequate for simulating fasting stomach pH in humans. Pretreatment with famotidine [40 mg orally] 1 h prior to test compound administration was determined to be adequate for simulating human gastric pH when acid-reducing agents are coadministered. Pentagastrin and famotidine pretreatments were used to test two discovery compounds and distinct differences in their potential for pH-dependent absorption were observed. The model described herein can be used preclinically to screen out compounds, differentiate compounds, and support the assessment of various formulation- and prodrug-based strategies to mitigate the pH effect. Copyright © 2011 Wiley-Liss, Inc. and the American Pharmacists Association

  11. Molecular dynamics and MM/GBSA-integrated protocol probing the correlation between biological activities and binding free energies of HIV-1 TAR RNA inhibitors.

    Science.gov (United States)

    Peddi, Saikiran Reddy; Sivan, Sree Kanth; Manga, Vijjulatha

    2018-02-01

    The interaction of HIV-1 transactivator protein Tat with its cognate transactivation response (TAR) RNA has emerged as a promising target for developing antiviral compounds and treating HIV infection, since it is a crucial step for efficient transcription and replication. In the present study, molecular dynamics (MD) simulations and MM/GBSA calculations have been performed on a series of neamine derivatives in order to estimate appropriate MD simulation time for acceptable correlation between ΔG bind and experimental pIC 50 values. Initially, all inhibitors were docked into the active site of HIV-1 TAR RNA. Later to explore various conformations and examine the docking results, MD simulations were carried out. Finally, binding free energies were calculated using MM/GBSA method and were correlated with experimental pIC 50 values at different time scales (0-1 to 0-10 ns). From this study, it is clear that in case of neamine derivatives as simulation time increased the correlation between binding free energy and experimental pIC 50 values increased correspondingly. Therefore, the binding energies which can be interpreted at longer simulation times can be used to predict the bioactivity of new neamine derivatives. Moreover, in this work, we have identified some plausible critical nucleotide interactions with neamine derivatives that are responsible for potent inhibitory activity. Furthermore, we also provide some insights into a new class of oxadiazole-based back bone cyclic peptides designed by incorporating the structural features of neamine derivatives. On the whole, this approach can provide a valuable guidance for designing new potent inhibitors and modify the existing compounds targeting HIV-1 TAR RNA.

  12. Dissolved organic matter from soils contaminated by coal tars: towards a better understanding of its nature and reactivity

    International Nuclear Information System (INIS)

    Hanser, Ogier

    2015-01-01

    A large amount of wastelands inherited from former industrial activities contains persistent organic contamination (coal, coal tar...). While the regulation requires an evaluation of the contamination degree of these soils, it doesn't take into account the transformation byproducts such as polar compounds, poorly studied. Yet they solubilize in aqueous phase by percolation of meteoric waters through these contaminated sites. Despite the fact that literature targeting the fresh DOM is abundant, it is not directly transposable to the anthropogenic DOM coming from wastelands, which still need to be more precisely defined to improve our knowledge of this specific DOM and its evolution over time. A multi-technical approach was developed to comprehend the anthropogenic DOM coming from former coking and gas plant soils, thanks to a combination of laboratory experiments (under controlled conditions) and on field devices (lysimeters). Their study show that they contained a high aromatic DOM, while the aromatic polycyclic compounds only consist of a low proportion of the total DOM. Complementary experiences targeting the influence of some parameters (pH, hydrophobicity) suggest a strong link between the pH and the spatial DOM organization and a decrease in the apparent molecular weight with the hydrophobicity. Artificial aging experiences show an enrichment in polar condensed compounds leading to their water mobilization. (author) [fr

  13. Gum forming olefinic precursors in motor gasoline: a model compound study

    Energy Technology Data Exchange (ETDEWEB)

    Nagpal, J.M.; Joshi, G.C.; Singh, J.; Rastogi, S.N. (Indian Institute of Petroleum, Dehradun (India))

    1994-01-01

    The source of the cracked components in motor gasoline are generally (Fluid Catalytic Cracking) FCC and thermal cracking naphthas incorporated in the gasoline pool. The FCC olefins are predominant in isostructures, while thermal cracking naphthas obtained from visbreaking and coking operations contain substantial amounts of cyclic structures. The contribution of various olefinic structures present in these naphthas are likely to vary. The gum forming tendencies of different types of olefinic structures have been studied by taking model compounds in a known sample matrix through potential gum measurements under accelerated test conditions. Peroxide number values have also been determined on aged sample. Cyclic and dicyclic structures have been found to contribute maximum, towards gum formation tendencies. Branching generally increases the gum formation. However, position of branching plays an important role besides the double bond. Synergistic effects of dienes with straight chain and branched olefins have also been studied. 11 refs., 10 figs., 2 tabs.

  14. Reaction pathways of model compounds of biomass-derived oxygenates on Fe/Ni bimetallic surfaces

    Science.gov (United States)

    Yu, Weiting; Chen, Jingguang G.

    2015-10-01

    Controlling the activity and selectivity of converting biomass-derivatives to fuels and valuable chemicals is critical for the utilization of biomass feedstocks. There are primarily three classes of non-food competing biomass, cellulose, hemicellulose and lignin. In the current work, glycolaldehyde, furfural and acetaldehyde are studied as model compounds of the three classes of biomass-derivatives. Monometallic Ni(111) and monolayer (ML) Fe/Ni(111) bimetallic surfaces are studied for the reaction pathways of the three biomass surrogates. The ML Fe/Ni(111) surface is identified as an efficient surface for the conversion of biomass-derivatives from the combined results of density functional theory (DFT) calculations and temperature programmed desorption (TPD) experiments. A correlation is also established between the optimized adsorption geometry and experimental reaction pathways. These results should provide helpful insights in catalyst design for the upgrading and conversion of biomass.

  15. A process-based emission model of volatile organic compounds from silage sources on farms

    DEFF Research Database (Denmark)

    Bonifacio, H. F.; Rotz, C. A.; Hafner, S. D.

    2017-01-01

    Silage on dairy farms can emit large amounts of volatile organic compounds (VOCs), a precursor in the formation of tropospheric ozone. Because of the challenges associated with direct measurements, process-based modeling is another approach for estimating emissions of air pollutants from sources...... was evaluated using ethanol and methanol emissions measured from conventional silage piles (CSP), silage bags (SB), total mixed rations (TMR), and loose corn silage (LCS) at a commercial dairy farm in central California. With transport coefficients for ethanol refined using experimental data from our previous......% if feeds were delivered as four feedings per day rather than as one. Reducing the exposed face of storage can also be useful. Simulated use of silage bags resulted in 90% and 18% reductions in emissions from the storage face and whole farm, respectively....

  16. Density of states model for the lattice transformation in A-15 compounds

    International Nuclear Information System (INIS)

    Pietrass, B.; Handstein, A.; Behr, G.

    1980-01-01

    The cubic-tetragonal lattice transformation in A-15 compounds is described by an empirical model in which the density of states function near the Fermi energy is characterized by a two-parametric peak in addition to the constant part. Two types of peak splitting under tetragonal deformation are considered, leading to qualitatively different results about the phase transition. Results are given for the order parameter, the phase stability, the soft elastic modulus, and the paramagnetic spin susceptibility. Comparing with measurements of the magnetic susceptibility of V 3 Si single crystals near the phase transition a better agreement is obtained for a twofold degenerate density of states peak than for a threefold degenerate one. (author)

  17. Standardized Competencies for Parenteral Nutrition Order Review and Parenteral Nutrition Preparation, Including Compounding: The ASPEN Model.

    Science.gov (United States)

    Boullata, Joseph I; Holcombe, Beverly; Sacks, Gordon; Gervasio, Jane; Adams, Stephen C; Christensen, Michael; Durfee, Sharon; Ayers, Phil; Marshall, Neil; Guenter, Peggi

    2016-08-01

    Parenteral nutrition (PN) is a high-alert medication with a complex drug use process. Key steps in the process include the review of each PN prescription followed by the preparation of the formulation. The preparation step includes compounding the PN or activating a standardized commercially available PN product. The verification and review, as well as preparation of this complex therapy, require competency that may be determined by using a standardized process for pharmacists and for pharmacy technicians involved with PN. An American Society for Parenteral and Enteral Nutrition (ASPEN) standardized model for PN order review and PN preparation competencies is proposed based on a competency framework, the ASPEN-published interdisciplinary core competencies, safe practice recommendations, and clinical guidelines, and is intended for institutions and agencies to use with their staff. © 2016 American Society for Parenteral and Enteral Nutrition.

  18. Screening of Catalysts for Hydrodeoxygenation of Phenol as Model Compound for Bio-oil

    DEFF Research Database (Denmark)

    Mortensen, Peter Mølgaard; Grunwaldt, Jan-Dierk; Jensen, Peter Arendt

    2013-01-01

    Four groups of catalysts have been tested for hydrodeoxygenation (HDO) of phenol as a model compound of bio-oil, including: oxide catalysts, methanol synthesis catalysts, reduced noble metal catalysts, and reduced non-noble metal catalysts. In total 23 different catalysts were tested at 100 bar H2...... and 275 °C in a batch reactor. The experiments showed that none of the tested oxides and methanol synthesis catalysts had any significant activity for phenol HDO at the given conditions, which were linked to their inability to hydrogenate the phenol. HDO of phenol over reduced metal catalysts could...... on a carbon support, but more active than the carbon supported noble metal catalysts when supported on ZrO2. This observation indicates that the nickel based catalysts require a metal oxide as carrier on which the activation of the phenol for the hydrogenation can take place through heterolytic dissociation...

  19. Evaluation of the health risk resulting from exposure to polycyclic aromatic hydrocarbons in coal-tar shampoo

    Energy Technology Data Exchange (ETDEWEB)

    Mennes, W.C.; Van Veen, M.P.; Kroese, E.D.; Speijers, G.J.A.

    1996-10-01

    Shampoos may contain as much as 56 mg benzo(a)pyrene (BaP)/kg product. Based on a human dermal uptake study, it is plausible that BaP and other PAHs become systemically available after a single use of coal-tar shampoos. Because several PAHs, among which BaP are considered to be carcinogenic substances, the safety of these products has been questioned. Dermal exposure results in skin tumours, but after inhalatory or oral exposure besides to local tumour formation, systemic tumours are found as well. In this report, an estimate of external dermal exposure to BaP has been generated by application of a mathematical model. This estimate was the starting point in an assessment of the additional risk on local skin tumours after contact with a coal-tar shampoo containing 56 mg BaP/kg product. In this assessment it was assumed that this shampoo was used three times weekly. Four different risk estimates were derived, namely for contact times of 1 or 5 minutes per event and for life-time or 40 years of use. 4 tabs., 3 appendices, 15 refs.

  20. Engineering New Catalysts for In-Process Elimination of Tars

    Energy Technology Data Exchange (ETDEWEB)

    Felix, Larry G. [Gas Technology Inst., Des Plaines, IL (United States)

    2012-09-30

    The key objective of this project was to develop a new and more efficient methodology for engineering and economically producing optimized robust catalysts for the reduction or elimination of tars in biomass gasification. Whereas current catalyst technology typically disposes thin layers of catalytically-active material onto rigid supports via wet chemistry-based methods, this project investigated novel thermal methods for directly incorporating catalytically active materials onto robust supports as well as novel approaches for incorporating catalytically active materials on and/or within an otherwise inert refractory support material which is then subsequently formed and processed to create a catalytically-active material on all exposed surfaces. Specifically, the focus of this engineered catalyst development was on materials which were derived from, or otherwise related to, olivine-like minerals, due to the inherent attrition resistance and moderate catalytic properties exhibited by natural olivine when used in a fluidized bed biomass gasifier. Task 1 of this project successfully demonstrated the direct thermal impregnation of catalytically-active materials onto an olivine substrate, with the production of a Ni-olivine catalyst. Nickel and nickel oxide were thermally impregnated onto an olivine substrate and when reduced were shown to demonstrate improved catalytic activity over the baseline olivine material and equal the tar-decomposing performance of Ni-olivine catalysts prepared by conventional wet impregnation. Task 2 involved coordination with our subcontracted project partners to further develop and characterize catalyst formulations and to optimize activity and production methods. Within this task, several significant new materials were developed. NexTech Materials developed a sintered ceramic nickel-magnesium-silicate catalyst that demonstrated superb catalytic activity and high resistance to deactivation by H2S. Alfred University developed both supported

  1. Evaluating the behavior of polychlorinated biphenyl compounds in Lake Superior using a dynamic multimedia model

    Science.gov (United States)

    Khan, T.; Perlinger, J. A.; Urban, N. R.

    2017-12-01

    Certain toxic, persistent, bioaccumulative, and semivolatile compounds known as atmosphere-surface exchangeable pollutants or ASEPs are emitted into the environment by primary sources, are transported, deposited to water surfaces, and can be later re-emitted causing the water to act as a secondary source. Polychlorinated biphenyl (PCB) compounds, a class of ASEPs, are of major concern in the Laurentian Great Lakes because of their historical use primarily as additives to oils and industrial fluids, and discharge from industrial sources. Following the ban on production in the U.S. in 1979, atmospheric concentrations of PCBs in the Lake Superior region decreased rapidly. Subsequently, PCB concentrations in the lake surface water also reached near equilibrium as the atmospheric levels of PCBs declined. However, previous studies on long-term PCB levels and trends in lake trout and walleye suggested that the initial rate of decline of PCB concentrations in fish has leveled off in Lake Superior. In this study, a dynamic multimedia flux model was developed with the objective to investigate the observed levelling off of PCB concentrations in Lake Superior fish. The model structure consists of two water layers (the epilimnion and the hypolimnion), and the surface mixed sediment layer, while atmospheric deposition is the primary external pathway of PCB inputs to the lake. The model was applied for different PCB congeners having a range of hydrophobicity and volatility. Using this model, we compare the long-term trends in predicted PCB concentrations in different environmental media with relevant available measurements for Lake Superior. We examine the seasonal depositional and exchange patterns, the relative importance of different process terms, and provide the most probable source of the current observed PCB levels in Lake Superior fish. In addition, we evaluate the role of current atmospheric PCB levels in sustaining the observed fish concentrations and appraise the need

  2. Removal of phenol by powdered activated carbon prepared from coal gasification tar residue.

    Science.gov (United States)

    Wang, Xiong-Lei; Shen, Jun; Niu, Yan-Xia; Wang, Yu-Gao; Liu, Gang; Sheng, Qing-Tao

    2018-03-01

    Coal gasification tar residue (CGTR) is a kind of environmentally hazardous byproduct generated in fixed-bed coal gasification process. The CGTR extracted by ethyl acetate was used to prepare powdered activated carbon (PAC), which is applied later for adsorption of phenol. The results showed that the PAC prepared under optimum conditions had enormous mesoporous structure, and the iodine number reached 2030.11 mg/g, with a specific surface area of 1981 m 2 /g and a total pore volume of 0.92 ml/g. Especially, without loading other substances, the PAC, having a strong magnetism, can be easily separated after it adsorbs phenol. The adsorption of phenol by PAC was studied as functions of contact time, temperature, PAC dosage, solution concentration and pH. The results showed a fast adsorption speed and a high adsorption capacity of PAC. The adsorption process was exothermic and conformed to the Freundlich models. The adsorption kinetics fitted better to the pseudo-second-order model. These results show that CGTR can be used as a potential adsorbent of phenols in wastewater.

  3. Oil from biomass corncob tar as a fuel

    International Nuclear Information System (INIS)

    Zhang, Hongmei; Wang, Jun

    2007-01-01

    In this study, biomass corncob tar oil (B-oil I and B-oil II) was extracted and its characteristics were measured. The characterization data show some similarities and differences among B-oil I, B-oil II and the Diesel: flash point. The densities and viscosities are higher than that of Diesel fuel. The solidifying point for B-oil I and B-oil II were lower than that of Diesel. The heating value of B-oil I and B-oil II were about 85.6% and 87.3% of that ordinary Diesel fuel (OD). The distillation temperatures of B-oil I and B-oil II were lower than that of Diesel fuel, with the 50% evaporation point being as much as 10 o C and 4 o C lower and the 90% evaporation point being 10 o C and 2 o C lower, respectively. These evaporation characteristics implied better cold starting and warm up properties of B-oil I and B-oil II than that of Diesel fuel. B-oil I and B-oil II were blended with Diesel in 10% and 20% by volume. Engine tests have been conducted with the aim of obtaining comparative measures of torque, thermal efficiency, specific fuel consumption and emissions such as CO, smoke density and NO to evaluate and compute the behavior of the Diesel engine running on the above mentioned fuels. The reduction in exhaust emissions, together with the increases in torque and thermal efficiency and the reduction in specific fuel consumption made the blends of B-oil I and B-oil II a suitable alternative fuel for Diesel and could help in controlling air pollution

  4. Ukrainian brown-coal tars recovered at low-temperature carbonization with solid heating medium

    Energy Technology Data Exchange (ETDEWEB)

    Kuznetsov, V I; Govorova, R P; Fadeicheva, A G; Kigel, T B; Chernykh, M K

    1955-01-01

    Three samples of tar were recovered in the laboratory from brown coals carbonized at 375/sup 0/ to 456/sup 0/ +- 25/sup 0/ in a retort with inner heating by solid circulating medium, namely, semicoke (ratio: 4 or 3:1) first heated to 700/sup 0/. One comparative (parallel) experiment was carried out in a retort with inner heating by inert gases entering the retort at 580/sup 0/ to 600/sup 0/ and leaving it at 115/sup 0/ to 120/sup 0/. The tars that were recovered from the retort with the solid heating medium contained a high percentage of coal dust and moisture, which were separated from the tars in supercentrifuges (15,000 rpm). Four samples of cleaned tars were fractionated in a Cu flask with a 2-ball fractional column. The tars from the retort with the solid-heating medium are characterized by increased yield of the petroleum-ether fraction (16.3 or 19.3%) and decreased yield of the paraffin fraction (15.1 to 21.2%) in comparison with those of tar from the retort with gas heating (5.9% of the petroleum ether fraction and 36.5% of paraffin fraction). The yield of paraffin from the paraffin fraction also decreased from 90.6% to 62.6-74.3%. This result shows that in the first case the carbonized products were cracked to a higher degree than those from the retort with gas heating. In raw phenols recovered from fractions of investigated tars, the yield of the phenol-cresol fraction (182/sup 0/ to 204/sup 0/) decreased from 25.9% to 13.0-18.9%.

  5. The documentation of tar balls on oiled shorelines : lessons from the New Carissa, Oregon

    International Nuclear Information System (INIS)

    Owens, E.H.; Zimlicki-Owens, L.M.; Lamarche, A.; Reimer, P.D.; Martin, C.A.

    2000-01-01

    The New Carissa, carrying approximately 400,000 gallons of fuel oils ran aground on the outer shore of North Spit, in the vicinity of Coos Bay, Oregon, on February 4, 1999. The oil was released directly into the nearshore surf zone. Following the spill, a stretch of approximately 300 km of the coast of Oregon was surveyed and monitored. The need for the documentation of stranded tar balls in the neighbourhood of the spill site prompted the implementation of a long-term observation program. Initially, Shoreline Clean-up and Assessment Technique (SCAT) reporting procedures were required. Heavy oiling was followed by stranded oil taking the form of tar balls. The amount of oil on the shoreline decreased and the SCAT procedures alone were no longer adequate. They provided estimations of oil quantities that were too high and failed to provide any discrimination between amounts of oil observed on the beaches. A new reporting technique called Beach Assessment Reporting was designed to overcome the difficulties and record adequately the character and frequency of stranded tar balls. Maps, tables and histograms of stranded tar ball volumes and concentrations were discussed. Since the data spanned nine orders of magnitude at times, the semi-logarithmic scale time series plots of the concentration of the tar balls was used in order to identify trends. Conventional histograms only identified large values and camouflaged smaller trends in the time series. A direct method for describing tar ball concentrations geographically proved to be the use of weekly maximum tar ball concentration maps by segment. 10 refs., 2 tabs., 9 figs

  6. Cancer risk estimation for mixtures of coal tars and benzo(a)pyrene

    International Nuclear Information System (INIS)

    Gaylor, D.W.; Culp, S.J.; Goldstein, L.S.; Beland, F.A.

    2000-01-01

    Two-year chronic bioassays were conducted by using B6C3F1 female mice fed several concentrations of two different mixtures of coal tars from manufactured gas waste sites or benzo(a)pyrene (BaP). The purpose of the study was to obtain estimates of cancer potency of coal tar mixtures, by using conventional regulatory methods, for use in manufactured gas waste site remediation. A secondary purpose was to investigate the validity of using the concentration of a single potent carcinogen, in this case benzo(a)pyrene, to estimate the relative risk for a coal tar mixture. The study has shown that BaP dominates the cancer risk when its concentration is greater than 6,300 ppm in the coal tar mixture. In this case the most sensitive tissue site is the forestomach. Using low-dose linear extrapolation, the lifetime cancer risk for humans is estimated to be: Risk -4 (ppm coal tar in total diet) + 240 x 10 -4 (ppm BaP in total diet), based on forestomach tumors. If the BaP concentration in the coal tar mixture is less than 6,300 ppm, the more likely case, then lung tumors provide the largest estimated upper limit of risk, Risk -4 (ppm coal tar in total diet), with no contribution of BaP to lung tumors. The upper limit of the cancer potency (slope factor) for lifetime oral exposure to benzo(a)pyrene is 1.2 x 10 -3 per microg per kg body weight per day from this Good Laboratory Practice (GLP) study compared with the current value of 7.3 x 10 -3 per microg per kg body weight per day listed in the US EPA Integrated Risk Information System

  7. The influence of model resolution on ozone in industrial volatile organic compound plumes.

    Science.gov (United States)

    Henderson, Barron H; Jeffries, Harvey E; Kim, Byeong-Uk; Vizuete, William G

    2010-09-01

    Regions with concentrated petrochemical industrial activity (e.g., Houston or Baton Rouge) frequently experience large, localized releases of volatile organic compounds (VOCs). Aircraft measurements suggest these released VOCs create plumes with ozone (O3) production rates 2-5 times higher than typical urban conditions. Modeling studies found that simulating high O3 productions requires superfine (1-km) horizontal grid cell size. Compared with fine modeling (4-kmin), the superfine resolution increases the peak O3 concentration by as much as 46%. To understand this drastic O3 change, this study quantifies model processes for O3 and "odd oxygen" (Ox) in both resolutions. For the entire plume, the superfine resolution increases the maximum O3 concentration 3% but only decreases the maximum Ox concentration 0.2%. The two grid sizes produce approximately equal Ox mass but by different reaction pathways. Derived sensitivity to oxides of nitrogen (NOx) and VOC emissions suggests resolution-specific sensitivity to NOx and VOC emissions. Different sensitivity to emissions will result in different O3 responses to subsequently encountered emissions (within the city or downwind). Sensitivity of O3 to emission changes also results in different simulated O3 responses to the same control strategies. Sensitivity of O3 to NOx and VOC emission changes is attributed to finer resolved Eulerian grid and finer resolved NOx emissions. Urban NOx concentration gradients are often caused by roadway mobile sources that would not typically be addressed with Plume-in-Grid models. This study shows that grid cell size (an artifact of modeling) influences simulated control strategies and could bias regulatory decisions. Understanding the dynamics of VOC plume dependence on grid size is the first step toward providing more detailed guidance for resolution. These results underscore VOC and NOx resolution interdependencies best addressed by finer resolution. On the basis of these results, the

  8. Modeling the response of small myelinated axons in a compound nerve to kilohertz frequency signals.

    Science.gov (United States)

    Pelot, N A; Behrend, C E; Grill, W M

    2017-08-01

    There is growing interest in electrical neuromodulation of peripheral nerves, particularly autonomic nerves, to treat various diseases. Electrical signals in the kilohertz frequency (KHF) range can produce different responses, including conduction block. For example, EnteroMedics' vBloc ® therapy for obesity delivers 5 kHz stimulation to block the abdominal vagus nerves, but the mechanisms of action are unclear. We developed a two-part computational model, coupling a 3D finite element model of a cuff electrode around the human abdominal vagus nerve with biophysically-realistic electrical circuit equivalent (cable) model axons (1, 2, and 5.7 µm in diameter). We developed an automated algorithm to classify conduction responses as subthreshold (transmission), KHF-evoked activity (excitation), or block. We quantified neural responses across kilohertz frequencies (5-20 kHz), amplitudes (1-8 mA), and electrode designs. We found heterogeneous conduction responses across the modeled nerve trunk, both for a given parameter set and across parameter sets, although most suprathreshold responses were excitation, rather than block. The firing patterns were irregular near transmission and block boundaries, but otherwise regular, and mean firing rates varied with electrode-fibre distance. Further, we identified excitation responses at amplitudes above block threshold, termed 're-excitation', arising from action potentials initiated at virtual cathodes. Excitation and block thresholds decreased with smaller electrode-fibre distances, larger fibre diameters, and lower kilohertz frequencies. A point source model predicted a larger fraction of blocked fibres and greater change of threshold with distance as compared to the realistic cuff and nerve model. Our findings of widespread asynchronous KHF-evoked activity suggest that conduction block in the abdominal vagus nerves is unlikely with current clinical parameters. Our results indicate that compound neural or downstream muscle

  9. Modeling the response of small myelinated axons in a compound nerve to kilohertz frequency signals

    Science.gov (United States)

    Pelot, N. A.; Behrend, C. E.; Grill, W. M.

    2017-08-01

    Objective. There is growing interest in electrical neuromodulation of peripheral nerves, particularly autonomic nerves, to treat various diseases. Electrical signals in the kilohertz frequency (KHF) range can produce different responses, including conduction block. For example, EnteroMedics’ vBloc® therapy for obesity delivers 5 kHz stimulation to block the abdominal vagus nerves, but the mechanisms of action are unclear. Approach. We developed a two-part computational model, coupling a 3D finite element model of a cuff electrode around the human abdominal vagus nerve with biophysically-realistic electrical circuit equivalent (cable) model axons (1, 2, and 5.7 µm in diameter). We developed an automated algorithm to classify conduction responses as subthreshold (transmission), KHF-evoked activity (excitation), or block. We quantified neural responses across kilohertz frequencies (5-20 kHz), amplitudes (1-8 mA), and electrode designs. Main results. We found heterogeneous conduction responses across the modeled nerve trunk, both for a given parameter set and across parameter sets, although most suprathreshold responses were excitation, rather than block. The firing patterns were irregular near transmission and block boundaries, but otherwise regular, and mean firing rates varied with electrode-fibre distance. Further, we identified excitation responses at amplitudes above block threshold, termed ‘re-excitation’, arising from action potentials initiated at virtual cathodes. Excitation and block thresholds decreased with smaller electrode-fibre distances, larger fibre diameters, and lower kilohertz frequencies. A point source model predicted a larger fraction of blocked fibres and greater change of threshold with distance as compared to the realistic cuff and nerve model. Significance. Our findings of widespread asynchronous KHF-evoked activity suggest that conduction block in the abdominal vagus nerves is unlikely with current clinical parameters. Our

  10. Fundamental mass transfer modeling of emission of volatile organic compounds from building materials

    Science.gov (United States)

    Bodalal, Awad Saad

    In this study, a mass transfer theory based model is presented for characterizing the VOC emissions from building materials. A 3-D diffusion model is developed to describe the emissions of volatile organic compounds (VOCs) from individual sources. Then the formulation is extended to include the emissions from composite sources (system comprising an assemblage of individual sources). The key parameters for the model (The diffusion coefficient of the VOC in the source material D, and the equilibrium partition coefficient k e) were determined independently (model parameters are determined without the use of chamber emission data). This procedure eliminated to a large extent the need for emission testing using environmental chambers, which is costly, time consuming, and may be subject to confounding sink effects. An experimental method is developed and implemented to measure directly the internal diffusion (D) and partition coefficients ( ke). The use of the method is illustrated for three types of VOC's: (i) Aliphatic Hydrocarbons, (ii) Aromatic Hydrocarbons and ( iii) Aldehydes, through typical dry building materials (carpet, plywood, particleboard, vinyl floor tile, gypsum board, sub-floor tile and OSB). Then correlations for predicting D and ke based solely on commonly available properties such as molecular weight and vapour pressure were proposed for each product and type of VOC. These correlations can be used to estimate the D and ke when direct measurement data are not available, and thus facilitate the prediction of VOC emissions from the building materials using mass transfer theory. The VOC emissions from a sub-floor material (made of the recycled automobile tires), and a particleboard are measured and predicted. Finally, a mathematical model to predict the diffusion coefficient through complex sources (floor adhesive) as a function of time was developed. Then this model (for diffusion coefficient in complex sources) was used to predict the emission rate from

  11. Crystallization and preliminary X-ray diffraction analysis of the periplasmic domain of the Escherichia coli aspartate receptor Tar and its complex with aspartate

    Energy Technology Data Exchange (ETDEWEB)

    Mise, Takeshi; Matsunami, Hideyuki; Samatey, Fadel A.; Maruyama, Ichiro N., E-mail: ichi@oist.jp [Okinawa Institute of Science and Technology Graduate University, 1919-1 Tancha, Onna-son, Kunigami, Okinawa 904-0495 (Japan)

    2014-08-27

    The periplasmic domain of the E. coli aspartate receptor Tar was cloned, expressed, purified and crystallized with and without bound ligand. The crystals obtained diffracted to resolutions of 1.58 and 1.95 Å, respectively. The cell-surface receptor Tar mediates bacterial chemotaxis toward an attractant, aspartate (Asp), and away from a repellent, Ni{sup 2+}. To understand the molecular mechanisms underlying the induction of Tar activity by its ligands, the Escherichia coli Tar periplasmic domain with and without bound aspartate (Asp-Tar and apo-Tar, respectively) were each crystallized in two different forms. Using ammonium sulfate as a precipitant, crystals of apo-Tar1 and Asp-Tar1 were grown and diffracted to resolutions of 2.10 and 2.40 Å, respectively. Alternatively, using sodium chloride as a precipitant, crystals of apo-Tar2 and Asp-Tar2 were grown and diffracted to resolutions of 1.95 and 1.58 Å, respectively. Crystals of apo-Tar1 and Asp-Tar1 adopted space group P4{sub 1}2{sub 1}2, while those of apo-Tar2 and Asp-Tar2 adopted space groups P2{sub 1}2{sub 1}2{sub 1} and C2, respectively.

  12. An accurate real-time model of maglev planar motor based on compound Simpson numerical integration

    Directory of Open Access Journals (Sweden)

    Baoquan Kou

    2017-05-01

    Full Text Available To realize the high-speed and precise control of the maglev planar motor, a more accurate real-time electromagnetic model, which considers the influence of the coil corners, is proposed in this paper. Three coordinate systems for the stator, mover and corner coil are established. The coil is divided into two segments, the straight coil segment and the corner coil segment, in order to obtain a complete electromagnetic model. When only take the first harmonic of the flux density distribution of a Halbach magnet array into account, the integration method can be carried out towards the two segments according to Lorenz force law. The force and torque analysis formula of the straight coil segment can be derived directly from Newton-Leibniz formula, however, this is not applicable to the corner coil segment. Therefore, Compound Simpson numerical integration method is proposed in this paper to solve the corner segment. With the validation of simulation and experiment, the proposed model has high accuracy and can realize practical application easily.

  13. Measurements and receptor modeling of volatile organic compounds in Southeastern Mexico City, 2000–2007

    Directory of Open Access Journals (Sweden)

    H. Wöhrnschimmel

    2010-09-01

    Full Text Available Ambient samples of volatile organic compounds (VOCs were measured between 2000 and 2007 in Southeastern Mexico City, quantifying 13 species (ethane, propane, propylene, butane, acetylene, pentane, hexane, heptane, benzene, octane, toluene, nonane, o-xylene. These time series were analyzed for long-term trends, using linear regression models. A main finding was that the concentrations for several VOC species were decreasing during this period. A receptor model was applied to identify possible VOC sources, as well as temporal patterns in their respective contributions. Domestic use of liquefied petroleum gas (LPG and vehicle exhaust are suggested to be the principal emission sources, contributing together between 70% and 80% to the total of quantified species. Both diurnal and seasonal patterns, as well as a weekend effect were recognized in the modelled source contributions. Furthermore, decreasing trends over time were found for LPG and hot soak (−7.8% and −12.7% per year, respectively, p < 0.01, whereas for vehicle exhaust no significant trend was found.

  14. An accurate real-time model of maglev planar motor based on compound Simpson numerical integration

    Science.gov (United States)

    Kou, Baoquan; Xing, Feng; Zhang, Lu; Zhou, Yiheng; Liu, Jiaqi

    2017-05-01

    To realize the high-speed and precise control of the maglev planar motor, a more accurate real-time electromagnetic model, which considers the influence of the coil corners, is proposed in this paper. Three coordinate systems for the stator, mover and corner coil are established. The coil is divided into two segments, the straight coil segment and the corner coil segment, in order to obtain a complete electromagnetic model. When only take the first harmonic of the flux density distribution of a Halbach magnet array into account, the integration method can be carried out towards the two segments according to Lorenz force law. The force and torque analysis formula of the straight coil segment can be derived directly from Newton-Leibniz formula, however, this is not applicable to the corner coil segment. Therefore, Compound Simpson numerical integration method is proposed in this paper to solve the corner segment. With the validation of simulation and experiment, the proposed model has high accuracy and can realize practical application easily.

  15. IDENTIFICATION OF SOME CARCINOGENIC POLYCYCLIC AROMATIC HYDROCARBONS IN BANGLADESHI VEHICLES EXHAUST TAR BY GAS CHROMATOGRAPHY-MASS SPECTROPHOTOMETER

    Directory of Open Access Journals (Sweden)

    M. Amzad Hossain

    2010-06-01

    Full Text Available A more sensitive GC-MS method has been established for the determination of some carcinogenic polycyclic aromatic hydrocarbons (PAHs in vehicles exhaust tar samples. The tar samples were extracted using dichloromethane (DMC: n-hexane solvent mixture. A multi-layer clean-up (silica gel/sodium sulphate column was used, followed by glass fiber filter (GFF paper. The method was successfully applied to determine a number of PAHs present in exhaust tar sample of different vehicles of the Atomic Energy Centre, Dhaka, Bangladesh.   Keywords: Carcinogenic polycyclic aromatic hydrocarbons, vehicles tar samples, identification, GC-MS/MS

  16. Fungal cultures of tar bush and creosote bush for production of two phenolic antioxidants (pyrocatechol and gallic acid).

    Science.gov (United States)

    Ventura, J; Gutiérrez-Sanchez, G; Rodríguez-Herrera, R; Aguilar, C N

    2009-01-01

    'Tar bush' and 'creosote bush' were substrates of fungal cultivation for tannase production and gallic acid and pyrocatechol accumulation. Aspergillus niger GH1 grew similarly on both plant materials under solid state culture conditions, reaching maximal levels after 4 d. Fungal strain degraded all tannin content of creosote bush after 4 d of fermentation and >75 % of tar bush after 5 d. Higher level of tannase activity was detected in tar bush fermentation. Biotransformation of tannins to gallic acid was high (93 % in creosote bush and 89 % in tar bush). Pyrocatechol was released poorly. Kinetic parameters of tannin conversion were calculated.

  17. Selected constituents in the smokes of U. S. commercial cigaretts: tar, nicotine, carbon monoxide and carbon dioxide

    Energy Technology Data Exchange (ETDEWEB)

    Jenkins, R.A.; Quincy, R.B.; Guerin, M.R.

    1979-05-01

    One hundred twenty-one brands of United States commercial cigarettes were analyzed for their deliveries of tar, nicotine, carbon monoxide, and carbon dioxide under standard analytical smoking conditions. The sample included both filter and nonfilter cigarettes. Comparisons of carbon monoxide deliveries over the range of observed tar deliveries indicated a very high correlation between CO and tar for filter cigarettes, but nonfilter cigarettes tended to produce much less CO than would have been predicted from their tar deliveries. Comparison of ORNL nicotine values for specific brands with those determined by the Federal Trade Commission yield no statistically significant differences between laboratories. 4 figures, 6 tables.

  18. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry’s Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds

    Science.gov (United States)

    The SPARC (SPARC Performs Automated Reasoning in Chemistry) physicochemical mechanistic models for neutral compounds have been extended to estimate Henry’s Law Constant (HLC) for charged species by incorporating ionic electrostatic interaction models. Combinations of absolute aq...

  19. Analysis of thermoluminescence kinetics of Mg2SiO4:Tb compounds employing an interactive model

    International Nuclear Information System (INIS)

    Marcazzo, J.; Prokic, M.; Santiago, M.; Molina, P.; Caselli, E.

    2009-01-01

    The kinetics involved in the thermoluminescence (TL) of Mg 2 SiO 4 :Tb compounds has been investigated by unfolding glow curves employing both the General Order model and a model that takes into account interactions among traps. The dependence of the glow curve shape on dose is only correctly described if interaction among traps is included in the analysis.

  20. Construction and Optimization of a Heterologous Pathway for Protocatechuate Catabolism in Escherichia coli Enables Bioconversion of Model Aromatic Compounds.

    Science.gov (United States)

    Clarkson, Sonya M; Giannone, Richard J; Kridelbaugh, Donna M; Elkins, James G; Guss, Adam M; Michener, Joshua K

    2017-09-15

    The production of biofuels from lignocellulose yields a substantial lignin by-product stream that currently has few applications. Biological conversion of lignin-derived compounds into chemicals and fuels has the potential to improve the economics of lignocellulose-derived biofuels, but few microbes are able both to catabolize lignin-derived aromatic compounds and to generate valuable products. While Escherichia coli has been engineered to produce a variety of fuels and chemicals, it is incapable of catabolizing most aromatic compounds. Therefore, we engineered E. coli to catabolize protocatechuate, a common intermediate in lignin degradation, as the sole source of carbon and energy via heterologous expression of a nine-gene pathway from Pseudomonas putida KT2440. We next used experimental evolution to select for mutations that increased growth with protocatechuate more than 2-fold. Increasing the strength of a single ribosome binding site in the heterologous pathway was sufficient to recapitulate the increased growth. After optimization of the core pathway, we extended the pathway to enable catabolism of a second model compound, 4-hydroxybenzoate. These engineered strains will be useful platforms to discover, characterize, and optimize pathways for conversions of lignin-derived aromatics. IMPORTANCE Lignin is a challenging substrate for microbial catabolism due to its polymeric and heterogeneous chemical structure. Therefore, engineering microbes for improved catabolism of lignin-derived aromatic compounds will require the assembly of an entire network of catabolic reactions, including pathways from genetically intractable strains. Constructing defined pathways for aromatic compound degradation in a model host would allow rapid identification, characterization, and optimization of novel pathways. We constructed and optimized one such pathway in E. coli to enable catabolism of a model aromatic compound, protocatechuate, and then extended the pathway to a related

  1. Characterization of Novel Antimalarial Compound ACT-451840: Preclinical Assessment of Activity and Dose–Efficacy Modeling

    Science.gov (United States)

    Le Bihan, Amélie; Angulo-Barturen, Iñigo; Binkert, Christoph; Boss, Christoph; Brun, Reto; Brunner, Ralf; Buchmann, Stephan; Dechering, Koen J.; Delves, Michael; Ewerling, Sonja; Ferrer, Santiago; Fischli, Christoph; Gamo–Benito, Francisco Javier; Heidmann, Bibia; Jiménez-Díaz, María Belén; Leroy, Didier; Martínez, Maria Santos; Meyer, Solange; Moehrle, Joerg J.; Noviyanti, Rintis; Sanz, Laura María; Sauerwein, Robert W.; Scheurer, Christian; Schleiferboeck, Sarah; Sinden, Robert; Snyder, Christopher; Straimer, Judith; Wirjanata, Grennady; Marfurt, Jutta; Weller, Thomas; Clozel, Martine; Wittlin, Sergio

    2016-01-01

    Background Artemisinin resistance observed in Southeast Asia threatens the continued use of artemisinin-based combination therapy in endemic countries. Additionally, the diversity of chemical mode of action in the global portfolio of marketed antimalarials is extremely limited. Addressing the urgent need for the development of new antimalarials, a chemical class of potent antimalarial compounds with a novel mode of action was recently identified. Herein, the preclinical characterization of one of these compounds, ACT-451840, conducted in partnership with academic and industrial groups is presented. Method and Findings The properties of ACT-451840 are described, including its spectrum of activities against multiple life cycle stages of the human malaria parasite Plasmodium falciparum (asexual and sexual) and Plasmodium vivax (asexual) as well as oral in vivo efficacies in two murine malaria models that permit infection with the human and the rodent parasites P. falciparum and Plasmodium berghei, respectively. In vitro, ACT-451840 showed a 50% inhibition concentration of 0.4 nM (standard deviation [SD]: ± 0.0 nM) against the drug-sensitive P. falciparum NF54 strain. The 90% effective doses in the in vivo efficacy models were 3.7 mg/kg against P. falciparum (95% confidence interval: 3.3–4.9 mg/kg) and 13 mg/kg against P. berghei (95% confidence interval: 11–16 mg/kg). ACT-451840 potently prevented male gamete formation from the gametocyte stage with a 50% inhibition concentration of 5.89 nM (SD: ± 1.80 nM) and dose-dependently blocked oocyst development in the mosquito with a 50% inhibitory concentration of 30 nM (range: 23–39). The compound’s preclinical safety profile is presented and is in line with the published results of the first-in-man study in healthy male participants, in whom ACT-451840 was well tolerated. Pharmacokinetic/pharmacodynamic (PK/PD) modeling was applied using efficacy in the murine models (defined either as antimalarial activity or as

  2. A biokinetic model of inhaled Cm compounds in dogs: Application to human exposure data

    International Nuclear Information System (INIS)

    Guilmette, R.A.; Mewhinney, J.A.

    1989-01-01

    Curium isotopes are major by-products in irradiated nuclear reactor fuel and comprise a significant fraction of the alpha-emitting radionuclide inventory. Although little use is currently being made of purified Cm sources, such usage is possible if reprocessing of spent fuel becomes feasible. Because little information is available on the biokinetics and dosimetry of inhaled Cm compounds, a study was conducted in which adult beagle dogs received a single inhalation exposure to either a monodisperse aerosol of 244Cm2O3 (1.4 micron activity median aerodynamic diameter [AMAD]; sigma g = 1.16) or a polydisperse aerosol of 244Cm (NO3)3 (1.1 micron AMAD; sigma g = 1.74). At times ranging from 4 h to 2 y after exposure, animals were sacrificed and their tissues analyzed for Cm content. The data describing the uptake and retention of 244Cm in the different organs and tissues and the measured rates of excretion of these dogs formed the basis on which a biokinetic model of Cm metabolism was constructed. This Cm model was based on a previously published model of the biokinetics of 241Am that was shown to be applicable to data from human cases of inhalation exposure to 241Am aerosols. This Cm model was found to be adequate to describe the biological distribution of Cm in dogs and was also applied to the sparse data from humans. Reasonable agreement was found between the model predictions for lung retention of Cm and for urinary excretion patterns in humans

  3. Adsorption and degradation of model volatile organic compounds by a combined titania-montmorillonite-silica photocatalyst

    International Nuclear Information System (INIS)

    Chen Jiangyao; Li Guiying; He Zhigui; An Taicheng

    2011-01-01

    Highlights: → Adsorptive combined titania-montmorillonite-silica photocatalysts synthesized. → All catalysts had relatively high adsorption capacities of multinary VOCs. → All catalysts preferred to adsorb the VOCs with higher polarity. → CTMS80 can effectively photocatalytically remove VOCs of various components. - Abstract: A series of adsorptive photocatalysts, combined titania-montmorillonite-silica were synthesized. The resultant photocatalysts consisted of more and more spherically agglomerated TiO 2 particles with increasing of TiO 2 content, and anatase was the only crystalline phase with nano-scale TiO 2 particles. With increasing of the cation exchange capacity to TiO 2 molar ratio, specific surface area and pore volume increased very slightly. In a fluidized bed photocatalytic reactor by choosing toluene, ethyl acetate and ethanethiol as model pollutants, all catalysts had relatively high adsorption capacities and preferred to adsorb higher polarity pollutants. Langmuir isotherm model better described equilibrium data compared to Freundlich model. Competitive adsorptions were observed for the mixed pollutants on the catalysts, leading to decrease adsorption capacity for each pollutant. The combined titania-montmorillonite-silica photocatalyst exhibited excellent photocatalytic removal ability to model pollutants of various components. Almost 100% of degradation efficiency was achieved within 120 min for each pollutant with about 500 ppb initial concentration, though the efficiencies of multi-component compounds slightly decreased. All photocatalytic reactions followed the Langmuir-Hinshelwood model. Degradation rate constants of multi-component systems were lower than those for single systems, following the order of toluene < ethyl acetate < ethanethiol, and increased with the increase of adsorption capacities for different pollutants of various components.

  4. The purification of coal tar by the addition of quinoline and Zn(oh)/sub 2/

    International Nuclear Information System (INIS)

    Zhou, P.; Chen, Q.L.; Ao, X.Q.; Kang, C

    2017-01-01

    The coal tar was purified by the addition of quinoline and Zn(OH)2, in order to decrease the content of carbon and inorganic oxide particles. The effect on the viscosity and ash content of the coal tar were investigated by altering temperature, time, and the amount of quinolone and Zn(OH)2 . When the volume ratio between quinolone and coal tar was 20:1 and the static time was 24 h. The viscosity of three layers decreased with rising temperature. When the static temperature and time was 45 °C and 24 h, respectively. The viscosity of three layers decreased with the arising amount of quinoline. And when the volume ratio between quinolone and coal tar was 20:1 and the temperature was 45 °C. The viscosity of three layers decreased first and then increased with the prolonging of static time. And when the static time of coal tar was 24 h, the viscosity of coal tar is the lowest. Because of the lower viscosity of coal tar, decreasing the content of carbon and ash particles in upper and middle layer, the ash content decreased from 0.168% to 0.092%. The addition of Zn(OH)2 can lead ash content in middle layer decrease to 0.058%. Zn2SiO4 and ZnAl2O4 may be produced due to the reaction between Zn (OH) 2 and SiO2 or Al2O3, which can settle down easily. The results show that the content of carbon and inorganic oxide particles in upper-middle-class (the middle 4/5 of the whole volume) decreased with the addition of quinolone and Zn(OH)2 . When the volume ratio between quinolone and coal tar was 50:2, quality ratio between coal tar and Zn(OH)2 was 20000:1, the mixture were heated up to 45 °C at atmospheric pressure and keeping this constant temperature for 24 h, the ash content in upper-middle-class can decreased to 0.058%. (author)

  5. The separate effects of tar and nicotine on the cigarette smoking manoeuvre

    International Nuclear Information System (INIS)

    Woodman, G.; Newman, S.P.; Paiva, D.; Clarke, S.W.

    1987-01-01

    The separate effects of tar and nicotine on the cigarette smoking manoeuvre were investigated. Each of ten asymptomatic habitual smokers smoked three different commercially available cigarettes in a randomised order. The brands were chosen such that two had the same tar yield (10 mg) and two had the same nicotine yield (1.4 mg). The volume of smoke inhaled into the lungs was measured by tracing the smoke with the inert gas 81 Kr m . Puffing indices were recorded using an electronic smoking analyser and flowhead/cigarette holder. There was no difference in the total volume of smoke puffed from each of the cigarette brands. With cigarettes of the samme tar level, the total inhaled smoke volume was lower with the higher nicotine cigarette (P<0.05): by contrast, with cigarettes of the same nicotine level, the toal inhaled smoke volume was lower with the lower tar cigarette (P<0.02). Tar and nicotine appear to exercise independent control over the volume of smoke inhaled. (author)

  6. Thermodynamic analysis of tar reforming through auto-thermal reforming process

    Energy Technology Data Exchange (ETDEWEB)

    Nurhadi, N., E-mail: nurhadi@tekmira.esdm.go.id; Diniyati, Dahlia; Efendi, M. Ade Andriansyah [R& D Centre for Mineral and Coal Technology, Jln. Jend.Sudirman no. 623, Bandung. Telp. 022-6030483 (Malaysia); Istadi, I. [Department of Chemical Engineering, Diponegoro University, Jln. Jl. Prof. Soedarto, SH, Semarang (Malaysia)

    2015-12-29

    Fixed bed gasification is a simple and suitable technology for small scale power generation. One of the disadvantages of this technology is producing tar. So far, tar is not utilized yet and being waste that should be treated into a more useful product. This paper presents a thermodynamic analysis of tar conversion into gas producer through non-catalytic auto-thermal reforming technology. Tar was converted into components, C, H, O, N and S, and then reacted with oxidant such as mixture of air or pure oxygen. Thus, this reaction occurred auto-thermally and reached chemical equilibrium. The sensitivity analysis resulted that the most promising process performance occurred at flow rate of air was reached 43% of stoichiometry while temperature of process is 1100°C, the addition of pure oxygen is 40% and preheating of oxidant flow is 250°C. The yield of the most promising process performance between 11.15-11.17 kmol/h and cold gas efficiency was between 73.8-73.9%.The results of this study indicated that thermodynamically the conversion of tar into producer gas through non-catalytic auto-thermal reformingis more promising.

  7. Copyrolysis of coal with coke-oven gas. III. Analysis of tar

    Energy Technology Data Exchange (ETDEWEB)

    Liao, H.; Sun, C.; Li, B.; Liu, Z. [Chinese Academy of Sciences, Taiyuan (China). State Key Laboratory of Coal Conversion, Institute of Coal Chemistry

    1998-02-01

    Tars from copyrolysis of Xianfeng lignite with coke-oven gas (COG) at different pressures (0.1-5 MPa) and heating rates (5-25{degree}C/min) to a final temperature of 650{degree}C were analyzed and compared with hydropyrolysis under the same H{sub 2} partial pressure. The results indicated that high contents of BTX, PCX and naphthalene were found in the tar from copyrolysis of Xianfeng lignite with COG. Pressure and heating rate have important effects on tar yields and the contents of BTX, PCX and naphthalene in oil. Increasing pressure and decreasing heating rate enhance the tar yields and result in high yields of BTX and PCX. When compared with hydropyrolysis under the same H{sub 2} partial pressure, the tar yield increases by 1.2 times and the yields of BTX, PCX and naphthalene by about 1.6, 1.3 and 1.6 times, respectively. At the same total pressure (3MPa), the yields of BTX and naphthalene from copyrolysis are equal to those from hydropyrolysis. The results reveal that other components in COG, such as methane, carbon monoxide etc., are of importance for pyrolysis behaviour of coal under COG and improvement of oil qualities. 5 refs., 5 figs., 2 tabs.

  8. Decomposition of tar in gas from updraft gasifier by thermal cracking

    DEFF Research Database (Denmark)

    Brandt, Peder; Henriksen, Ulrik Birk

    2000-01-01

    Continuing earlier work with tar reduction by partial oxidation of pyrolysis gas [1] thermal cracking has been evaluated as a gas cleaning process. The work has been focusing on cleaning gas from updraft gasifiers, and the long term purpose is to develop a tar cleaning unit based on thermal...... cracking. An experimental set-up has been built, in which a flow of contaminated gas can be heated up to 1290°C in a reactor made of pure Al2O3. Four measurements were made. Three with gas from a pyrolysis unit simulating updraft gasifier, and one with gas from an updraft gasifier. Cracking temperatures...... was 1200, 1250 and 1290°C, and the residence time at this temperature was 0.5 second. The measurements show that at the selected residence time of 0.5 second, the gas flow in a thermal tar cracking unit has to be heated to at least 1250°C to achieve sufficient tar cleaning. At 1290°C, a tar content as low...

  9. New Linear Partitioning Models Based on Experimental Water: Supercritical CO2 Partitioning Data of Selected Organic Compounds.

    Science.gov (United States)

    Burant, Aniela; Thompson, Christopher; Lowry, Gregory V; Karamalidis, Athanasios K

    2016-05-17

    Partitioning coefficients of organic compounds between water and supercritical CO2 (sc-CO2) are necessary to assess the risk of migration of these chemicals from subsurface CO2 storage sites. Despite the large number of potential organic contaminants, the current data set of published water-sc-CO2 partitioning coefficients is very limited. Here, the partitioning coefficients of thiophene, pyrrole, and anisole were measured in situ over a range of temperatures and pressures using a novel pressurized batch-reactor system with dual spectroscopic detectors: a near-infrared spectrometer for measuring the organic analyte in the CO2 phase and a UV detector for quantifying the analyte in the aqueous phase. Our measured partitioning coefficients followed expected trends based on volatility and aqueous solubility. The partitioning coefficients and literature data were then used to update a published poly parameter linear free-energy relationship and to develop five new linear free-energy relationships for predicting water-sc-CO2 partitioning coefficients. A total of four of the models targeted a single class of organic compounds. Unlike models that utilize Abraham solvation parameters, the new relationships use vapor pressure and aqueous solubility of the organic compound at 25 °C and CO2 density to predict partitioning coefficients over a range of temperature and pressure conditions. The compound class models provide better estimates of partitioning behavior for compounds in that class than does the model built for the entire data set.

  10. Kinetic modelling and optimisation of antimicrobial compound production by Candida pyralidae KU736785 for control of Candida guilliermondii.

    Science.gov (United States)

    Mewa-Ngongang, Maxwell; du Plessis, Heinrich W; Hutchinson, Ucrecia F; Mekuto, Lukhanyo; Ntwampe, Seteno Ko

    2017-06-01

    Biological antimicrobial compounds from yeast can be used to address the critical need for safer preservatives in food, fruit and beverages. The inhibition of Candida guilliermondii, a common fermented beverage spoilage organism, was achieved using antimicrobial compounds produced by Candida pyralidae KU736785. The antimicrobial production system was modelled and optimised using response surface methodology, with 22.5 ℃ and pH of 5.0 being the optimum conditions. A new concept for quantifying spoilage organism inhibition was developed. The inhibition activity of the antimicrobial compounds was observed to be at a maximum after 17-23 h of fermentation, with C. pyralidae concentration being between 0.40 and 1.25 × 10 9 CFU ml -1 , while its maximum specific growth rate was 0.31-0.54 h -1 . The maximum inhibitory activity was between 0.19 and 1.08 l contaminated solidified media per millilitre of antimicrobial compound used. Furthermore, the antimicrobial compound formation rate was 0.037-0.086 l VZI ml -1 ACU h -1 , respectively. The response surface methodology analysis showed that the model developed sufficiently described the antimicrobial compound formation rate 1.08 l VZI ml -1 ACU, as 1.17 l VZI ml -1 ACU, predicted under the optimum production conditions.

  11. LES Modeling with Experimental Validation of a Compound Channel having Converging Floodplain

    Science.gov (United States)

    Mohanta, Abinash; Patra, K. C.

    2018-04-01

    Computational fluid dynamics (CFD) is often used to predict flow structures in developing areas of a flow field for the determination of velocity field, pressure, shear stresses, effect of turbulence and others. A two phase three-dimensional CFD model along with the large eddy simulation (LES) model is used to solve the turbulence equation. This study aims to validate CFD simulations of free surface flow or open channel flow by using volume of fluid method by comparing the data observed in hydraulics laboratory of the National Institute of Technology, Rourkela. The finite volume method with a dynamic sub grid scale was carried out for a constant aspect ratio and convergence condition. The results show that the secondary flow and centrifugal force influence flow pattern and show good agreement with experimental data. Within this paper over-bank flows have been numerically simulated using LES in order to predict accurate open channel flow behavior. The LES results are shown to accurately predict the flow features, specifically the distribution of secondary circulations both for in-bank channels as well as over-bank channels at varying depth and width ratios in symmetrically converging flood plain compound sections.

  12. Active Compounds of Rhubarb Root and Rhizome in Animal Model Experiments of Focal Cerebral Ischemia

    Directory of Open Access Journals (Sweden)

    Ai-ju Liu

    2015-01-01

    Full Text Available Rhubarb root and rhizome (RRR has been clinically used for stroke at least 2000 years and is still used in modern times in both China and elsewhere worldwide. The objective of present study was to evaluate the efficacy of active compounds of RRR (ACRRR for experimental ischemic stroke. Studies of ACRRR in animal models of ischemic stroke were identified from 5 databases until April 2014. Study quality for each included article was evaluated according to the CAMARADES 10-item checklist. Outcome measures were neurological deficit score and infarct size. All the data were analyzed using RevMan 5.1 software. As a result, 20 studies were identified describing procedures involving 577 animals. The quality score of studies ranges from 2 to 6, and the median was 3.4. Six studies showed significant effects of ACRRR for improving infarct size compared with model group (P<0.01. Six studies indicated significant effects of ACRRR for improving the neurological deficit scores according to Zea longa criterion or eight-point criterion (P<0.01. In conclusion, these findings demonstrated a possible efficacy of ACRRR that have potential neuroprotective effect for experimental ischemic stroke. However, these apparently positive findings should be interpreted with caution because of the methodological flaws.

  13. Biodistribution of a new boron compound for BNCT in an experimental model of oral cancer

    International Nuclear Information System (INIS)

    Kreimann, Erica L.; Itoiz, Maria E.; Schwint, Amanda E.; Miura, M.; Coderre, J.A.; Garavaglia, Ricardo; Batistoni, Daniel A.

    2000-01-01

    We have proposed and validated the HCP carcinogenesis model of oral cancer, a model that mimics spontaneous malignant transformation, for BNCT research in a separate study. We herein perform a biodistribution study of a lipophilic carborane-containing tetraphenylporphyrin, CuTCPH, in this model. This compound was previously tested in a model of mice bearing subcutaneously transplanted mammary carcinomas. In the present study CuTCPH was administered as a single i.p. injection at a dose of 32 μg/g b.w. (10 μg B/g b.w.) or as 4 i.p. injections over 2 days at a dose of 32 μg/g b.w. per injection. Blood (Bl) and tissue, i.e. tumor (T), precancerous tissue surrounding tumor (P), normal pouch (N), skin, tongue, cheek and palate mucosa, liver, spleen, parotid gland and brain were sampled 3, 6, 12, 24, 48 and 72 hs post-administration in the single dose protocol and 1-4 days after the last injection in the multidose protocol. Boron (B) analysis was performed by ICP-AES. The maximum ratio of B concentration for the single dose protocol was 32.7:1 for T:N and 31.8:1 for T:Bl. The B value in tumor reached a maximum of 43.8 ppm. However, the mean value of 16 ± 14.3 ppm fell short of therapeutically useful levels. The multidose protocol yielded maximum ratios of 53.33:1 for T:N and 3633.3:1 for T:Bl. The maximum absolute B value in tumor reached 106.40 ppm. The mean value in tumor 3 days post-administration was 68.02 ± 25.02. Absolute and relative maximum and average B values markedly exceeded the therapeutic threshold values. (author)

  14. Personal Exposure to Mixtures of Volatile Organic Compounds: Modeling and Further Analysis of the RIOPA Data

    Science.gov (United States)

    Batterman, Stuart; Su, Feng-Chiao; Li, Shi; Mukherjee, Bhramar; Jia, Chunrong

    2015-01-01

    INTRODUCTION Emission sources of volatile organic compounds (VOCs) are numerous and widespread in both indoor and outdoor environments. Concentrations of VOCs indoors typically exceed outdoor levels, and most people spend nearly 90% of their time indoors. Thus, indoor sources generally contribute the majority of VOC exposures for most people. VOC exposure has been associated with a wide range of acute and chronic health effects; for example, asthma, respiratory diseases, liver and kidney dysfunction, neurologic impairment, and cancer. Although exposures to most VOCs for most persons fall below health-based guidelines, and long-term trends show decreases in ambient emissions and concentrations, a subset of individuals experience much higher exposures that exceed guidelines. Thus, exposure to VOCs remains an important environmental health concern. The present understanding of VOC exposures is incomplete. With the exception of a few compounds, concentration and especially exposure data are limited; and like other environmental data, VOC exposure data can show multiple modes, low and high extreme values, and sometimes a large portion of data below method detection limits (MDLs). Field data also show considerable spatial or interpersonal variability, and although evidence is limited, temporal variability seems high. These characteristics can complicate modeling and other analyses aimed at risk assessment, policy actions, and exposure management. In addition to these analytic and statistical issues, exposure typically occurs as a mixture, and mixture components may interact or jointly contribute to adverse effects. However most pollutant regulations, guidelines, and studies remain focused on single compounds, and thus may underestimate cumulative exposures and risks arising from coexposures. In addition, the composition of VOC mixtures has not been thoroughly investigated, and mixture components show varying and complex dependencies. Finally, although many factors are

  15. Cubic rare-earth compounds: variants of the three-state Potts model

    International Nuclear Information System (INIS)

    Kim, D.; Levy, P.M.; Uffer, L.F.

    1975-01-01

    In appropriate cubic fields, rare-earth ions have sixfold degenerate ground states. When the angular momentum of the rare earth is large, the six levels are characterized by states that are directed along the cube edges. Within these states the angular momentum operators J/sub x/, J/sub y/, and J/sub z/ have particularly simple matrix representations. The projection of an isotropic pair coupling between the rare earths onto these sixfold degenerate states leads to an interaction Hamiltonian H = -I Σ/sub (ij)/ sigma/sub i/sigma/sub j/delta/sub l/sub i/sub l/sub j//, where sigma takes on the values +-1 and l the values x, y, and z. This interaction is a variant of the three-state Potts model. Magnetic and quadrupolar anisotropy field terms are added to the Hamiltonian and the symmetry properties of the phase diagram associated with this model are determined. For nonzero quadrupolar anisotropy fields, the model is shown to have the thermodynamic behavior of an Ising model. However, for zero fields a new symmetry appears and in the mean-field approximation the model has tricritical-like exponents. This simple model is able to account for the large specific-heat critical exponent α' = 1 / 2 which has been observed for holmium antimonide in zero external fields. To the extent that the mean-field approximation is an accurate guide, we predict there are many cubic rare-earth compounds which exhibit tricritical-like behavior in zero field. In addition, for pure quadrupole coupling between rare earths in the sixfold degenerate states, the interaction Hamiltonian is exactly the three-state Potts model. In the mean-field approximation this system has a first-order phase transition. However, a small quadrupolar anisotropy field is sufficient to drive the system to a wing critical point. The specific heat has a critical exponent of α = 2 / 3 or 1 depending on the path taken to approach this critical point. (auth)

  16. Development of a general model for determination of thermal conductivity of liquid chemical compounds at atmospheric pressure

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Ilani‐Kashkouli, Poorandokht; Sattari, Mehdi

    2013-01-01

    In this communication, a general model for representation/presentation of the liquid thermal conductivity of chemical compounds (mostly organic) at 1 atm pressure for temperatures below normal boiling point and at saturation pressure for temperatures above the normal boiling point is developed...... using the Gene Expression Programming algorithm. Approximately 19,000 liquid thermal conductivity data at different temperatures related to 1636 chemical compounds collected from the DIPPR 801 database are used to obtain the model as well as to assess its predictive capability. The parameters...

  17. Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent.

    Science.gov (United States)

    Lahive, Ciaran W; Deuss, Peter J; Lancefield, Christopher S; Sun, Zhuohua; Cordes, David B; Young, Claire M; Tran, Fanny; Slawin, Alexandra M Z; de Vries, Johannes G; Kamer, Paul C J; Westwood, Nicholas J; Barta, Katalin

    2016-07-20

    The development of fundamentally new approaches for lignin depolymerization is challenged by the complexity of this aromatic biopolymer. While overly simplified model compounds often lack relevance to the chemistry of lignin, the direct use of lignin streams poses significant analytical challenges to methodology development. Ideally, new methods should be tested on model compounds that are complex enough to mirror the structural diversity in lignin but still of sufficiently low molecular weight to enable facile analysis. In this contribution, we present a new class of advanced (β-O-4)-(β-5) dilinkage models that are highly realistic representations of a lignin fragment. Together with selected β-O-4, β-5, and β-β structures, these compounds provide a detailed understanding of the reactivity of various types of lignin linkages in acid catalysis in conjunction with stabilization of reactive intermediates using ethylene glycol. The use of these new models has allowed for identification of novel reaction pathways and intermediates and led to the characterization of new dimeric products in subsequent lignin depolymerization studies. The excellent correlation between model and lignin experiments highlights the relevance of this new class of model compounds for broader use in catalysis studies. Only by understanding the reactivity of the linkages in lignin at this level of detail can fully optimized lignin depolymerization strategies be developed.

  18. A Study on the Use of Compound and Extracted Models in the High Frequency Electromagnetic Exposure Assessment

    Directory of Open Access Journals (Sweden)

    Mario Cvetković

    2017-01-01

    Full Text Available The paper presents the numerical results for the induced electric field in the various models of the human eye and the head. The comparison between the extracted or the single organ models and the compound organ models placed inside realistic head models obtained from the magnetic resonance imaging scans is presented. The numerical results for several frequencies and polarizations of the incident electromagnetic (EM plane wave are obtained using the hybrid finite element method/boundary element method (FEM/BEM formulation and the surface integral equation (SIE based formulation featuring the use of method of moments, respectively. Although some previous analysis showed the similar distribution of the induced electric field along the pupillary axis obtained in both eye models, this study showed this not to be the case in general. The analysis showed that the compound eye model is much more suitable when taking into account the polarization of the incident EM wave. The numerical results for the brain models showed much better agreement in the maximum values and distributions of the induced surface field between detailed models, while homogeneous brain model showed better agreement with the compound model in the distribution along selected sagittal axis points. The analysis could provide some helpful insights when carrying out the dosimetric analysis of the human eye and the head/brain exposed to high frequency EM radiation.

  19. Technological changes illustrated by the coal tar and tar dye industry; Die Wandlung der Technik am Beispiel der Steinkohlenteer- und Teerfarben-Chemie

    Energy Technology Data Exchange (ETDEWEB)

    Collin, G. [Deutsche Gesellschaft fuer Chemisches Apparatewesen, Chemische Technik und Biotechnologie e.V. (DECHEMA), Frankfurt am Main (Germany)

    2001-05-01

    Coal tar was detected in the 17th century in laboratory experiments based on empirical knowledge. In the 18th century industrial revolution, coal tar was an undesired by-product of iron production and coking plants. It was first used in the 19th century for impregnating railway sleepers. Later developments in atomic theory, new chemical symbols and organic element analysis provided the basis for discovering and chemical characterisation of coal tar constituents. Laboratory experiments with these tar constituents resulted in the first synthetic dyes, the postulation of tetravalent carbon and the resulting structural theory in organic chemistry for systematic synthesis of many tar dyes to substitute natural dyes in the textile industry. The technical application of these syntheses was part 2 of the industrial revolution and the foundation of the chemical industry in Germany, which developed rapidly in the 2nd half of the 19th century. Tar dye chemistry has made a significant contribution to Germany's economic growth and the change from an agricultural to an industrialized country. [German] Die Entdeckung des Steinkohlenteers im 17. Jahrhundert basiert auf durch Erfahrungswissen gepraegten Laboratoriumsexperimenten. Im Verlauf der 'Industriellen Revolution' des 18. Jahrhunderts ist der Steinkohlenteer zunaechst ein laestiges Abfallprodukt der Eisengewinnung im Kokshochofen und der Leuchtgasherstellung durch Kohlenverkokung. Erste technische Applikation finden Steinkohlenteeroele im 19. Jahrhundert durch den Eisenbahnbau zur Langzeit-Konservierung der dafuer benoetigten Holzschwellen. Die wissenschaftlichen Erfkenntnisse zur Atomtheorie, eine neue chemische Zeichensprache und die organische Elementaranalyse werden Voraussetzungen zur Entdeckung und chemischen Charakterisierung der Hauptinhaltsstoffe des Steinkohlenteers. Laboratoriumsexperimente mit den entdeckten Teerinhaltsstoffen fuehren zur Erfindung der ersten synthetischen Farbstoffe, die

  20. An acute rat in vivo screening model to predict compounds that alter blood glucose and/or insulin regulation.

    Science.gov (United States)

    Brott, David A; Diamond, Melody; Campbell, Pam; Zuvich, Andy; Cheatham, Letitia; Bentley, Patricia; Gorko, Mary Ann; Fikes, James; Saye, JoAnne

    2013-01-01

    Drug-induced glucose dysregulation and insulin resistance have been associated with weight gain and potential induction and/or exacerbation of diabetes mellitus in the clinic suggesting they may be safety biomarkers when developing antipsychotics. Glucose and insulin have also been suggested as potential efficacy biomarkers for some oncology compounds. The objective of this study was to qualify a medium throughput rat in vivo acute Intravenous Glucose Tolerance Test (IVGTT) for predicting compounds that will induce altered blood glucose and/or insulin levels. Acute and sub-chronic studies were performed to qualify an acute IVGTT model. Double cannulated male rats (Han-Wistar and Sprague-Dawley) were administered vehicle, olanzapine, aripiprazole or other compounds at t=-44min for acute studies and at time=-44min on the last day of dosing for sub-chronic studies, treated with dextrose (time=0min; i.v.) and blood collected using an automated Culex® system for glucose and insulin analysis (time=-45, -1, 2, 10, 15, 30, 45, 60, 75, 90, 120, 150 and 180min). Olanzapine significantly increased glucose and insulin area under the curve (AUC) values while aripiprazole AUC values were similar to control, in both acute and sub-chronic studies. All atypical antipsychotics evaluated were consistent with literature references of clinical weight gain. As efficacy biomarkers, insulin AUC but not glucose AUC values were increased with a compound known to have insulin growth factor-1 (IGF-1) activity, compared to control treatment. These studies qualified the medium throughput acute IVGTT model to more quickly screen compounds for 1) safety - the potential to elicit glucose dysregulation and/or insulin resistance and 2) efficacy - as a surrogate for compounds affecting the glucose and/or insulin regulatory pathways. These data demonstrate that the same in vivo rat model and assays can be used to predict both clinical safety and efficacy of compounds. © 2013.

  1. Fluxes of biogenic volatile organic compounds measured and modelled above a Norway spruce forest

    Science.gov (United States)

    Juráň, Stanislav; Fares, Silvano; Pallozzi, Emanuele; Guidolotti, Gabriele; Savi, Flavia; Alivernini, Alessandro; Calfapietra, Carlo; Večeřová, Kristýna; Křůmal, Kamil; Večeřa, Zbyněk; Cudlín, Pavel; Urban, Otmar

    2016-04-01

    Fluxes of biogenic volatile organic compounds (BVOCs) were investigated at Norway spruce forest at Bílý Kříž in Beskydy Mountains of the Czech Republic during the summer 2014. A proton-transfer-reaction-time-of-flight mass spectrometer (PTR-TOF-MS, Ionicon Analytik, Austria) has been coupled with eddy-covariance system. Additionally, Inverse Lagrangian Transport Model has been used to derive fluxes from concentration gradient of various monoterpenes previously absorbed into n-heptane by wet effluent diffusion denuder with consequent quantification by gas chromatography with mass spectrometry detection. Modelled data cover each one day of three years with different climatic conditions and previous precipitation patterns. Model MEGAN was run to cover all dataset with monoterpene fluxes and measured basal emission factor. Highest fluxes measured by eddy-covariance were recorded during the noon hours, represented particularly by monoterpenes and isoprene. Inverse Lagrangian Transport Model suggests most abundant monoterpene fluxes being α- and β-pinene. Principal component analysis revealed dependencies of individual monoterpene fluxes on air temperature and particularly global radiation; however, these dependencies were monoterpene specific. Relationships of monoterpene fluxes with CO2 flux and relative air humidity were found to be negative. MEGAN model correlated to eddy-covariance PTR-TOF-MS measurement evince particular differences, which will be shown and discussed. Bi-directional fluxes of oxygenated short-chain volatiles (methanol, formaldehyde, acetone, acetaldehyde, formic acid, acetic acid, methyl vinyl ketone, methacrolein, and methyl ethyl ketone) were recorded by PTR-TOF-MS. Volatiles of anthropogenic origin as benzene and toluene were likely transported from the most benzene polluted region in Europe - Ostrava city and adjacent part of Poland around Katowice, where metallurgical and coal mining industries are located. Those were accumulated during

  2. Cigarettes, lung cancer, and coronary heart disease: the effects of inhalation and tar yield.

    Science.gov (United States)

    Higenbottam, T; Shipley, M J; Rose, G

    1982-06-01

    Ten-year mortality rates for lung cancer and coronary heart disease have been related to cigarette smoking habits in 17 475 male civil servants aged 40-64 and in sample of 8089 male British residents aged 35-69. Both diseases were more frequent in smokers. Lung cancer rates were higher overall for "non-inhalers", particularly in heavy smokers. Tar yield correlated with the risk of lung cancer in non-inhalers but less so in inhalers. Conversely, coronary deaths were more common among inhalers, and the effect of tar/nicotine yield (such as it was) was confined to inhalers. It appears that there are subtle interactions between the amount smoked, the tar/nicotine yield of the cigarette, and the style of smoking. Thus the effects of a change in cigarette characteristics are hard to predict, and they may be different for respiratory and cardiovascular disease.

  3. Detailed grouping and functional composition of neutral substances in low-temperature tar

    Energy Technology Data Exchange (ETDEWEB)

    Kalechits, I V; Salimgareeva, F G; Popova, N I; Kurbangaleeva, D K; Klykova, G G

    1955-01-01

    The grouping and the functional composition of the neutral substances in coal tar were characterized by means of adsorption on silica gel with subsequent chemical analysis of each fraction. The neutral materials were obtained by consecutive treatment of a C/sub 6/H/sub 6/ solution of coal tar with 10 percent alkali and 5 percent H/sub 2/SO/sub 4/ to remove the phenols and the bases. The data show that of the neutral substances (only 75% were identified) 40.5% were aromatic hydrocarbons. Based on a study of all of the data, it was proposed that 90% of the composition of coal tars is aromatic. The physical constants of the separated fractions were determined and are presented in tabular form.

  4. Modelling approach to limit aflatoxin B1 contamination in dairy cattle compound feed

    NARCIS (Netherlands)

    Bouzembrak, Y.; Fels-Klerx, van der H.J.

    2016-01-01

    Feeding dairy cattle with safe compound feed helps farmers to ensure food safety. However, several ingredients often used in compound feed production can be contaminated with aflatoxin B1 (AFB1), which may result into milk contaminated with aflatoxin M1. Given the number of ingredients and their

  5. Reading Polymorphemic Dutch Compounds: Toward a Multiple Route Model of Lexical Processing

    Science.gov (United States)

    Kuperman, Victor; Schreuder, Robert; Bertram, Raymond; Baayen, R. Harald

    2009-01-01

    This article reports an eye-tracking experiment with 2,500 polymorphemic Dutch compounds presented in isolation for visual lexical decision while readers' eye movements were registered. The authors found evidence that both full forms of compounds ("dishwasher") and their constituent morphemes (e.g., "dish," "washer," "er") and morphological…

  6. Family physicians and youth tobacco-free education: outcomes of the Colorado Tar Wars program.

    Science.gov (United States)

    Cain, Jeffrey J; Dickinson, W Perry; Fernald, Douglas; Bublitz, Caroline; Dickinson, L Miriam; West, David

    2006-01-01

    Tar Wars is a national school-based tobacco-free education program operated by the American Academy of Family Physicians. The Tar Wars lesson uses an interactive 45-min session taught by volunteer family physicians in 4th- and 5th-grade classrooms and focuses on the short-term image-based consequences of tobacco use. In this study, we evaluated the effectiveness of the Tar Wars program in Colorado with both quantitative and qualitative measures. Students participating in the quantitative evaluation were tested before and after a Tar Wars teaching session using a 14-question test covering the short-term and image-based consequences of tobacco use, cost of smoking, tobacco advertising, and social norms of tobacco use. Qualitative evaluation of the program included guided telephone interviews and focus groups with participating students, teachers, and presenters. Quantitative evaluation showed statistically significant improvement in correct responses for the 14 questions measured with an average increase in correct responses from 8.95 to 10.23. Three areas recommended by the Centers for Disease Control (CDC) for youth tobacco prevention showed greater change in correct responses, including cost of smoking, truth of tobacco advertising, and peer norms of tobacco use. Qualitative evaluation found that the overall message of the session was well received, that previously known tobacco information was reinforced by its presentation in a novel format, and that new information learned included cost of smoking, truth of tobacco advertising, and peer norms of tobacco use. The Tar Wars lesson plan is effective in increasing students' understanding about the short-term consequences of tobacco use, cost of tobacco use, truth of tobacco advertising, and peer norms. Tar Wars meets the CDC guidelines as one component of effective comprehensive youth tobacco prevention.

  7. Substitution of carcinogenic solvent dichloromethane for the extraction of volatile compounds in a fat-free model food system.

    Science.gov (United States)

    Cayot, Nathalie; Lafarge, Céline; Bou-Maroun, Elias; Cayot, Philippe

    2016-07-22

    Dichloromethane is known as a very efficient solvent, but, as other halogenated solvents, is recognized as a hazardous product (CMR substance). The objective of the present work is to propose substitution solvent for the extraction of volatile compounds. The most important physico-chemical parameters in the choice of an appropriate extraction solvent of volatile compounds are reviewed. Various solvents are selected on this basis and on their hazard characteristics. The selected solvents, safer than dichloromethane, are compared using the extraction efficiency of volatile compounds from a model food product able to interact with volatile compounds. Volatile compounds with different hydrophobicity are used. High extraction yields were positively correlated with high boiling points and high Log Kow values of volatile compounds. Mixtures of solvents such as azeotrope propan-2-one/cyclopentane, azeotrope ethyl acetate/ethanol, and mixture ethyl acetate/ethanol (3:1, v/v) gave higher extraction yields than those obtained with dichloromethane. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Modeling of RO/NF membrane rejections of PhACs and organic compounds: a statistical analysis

    Directory of Open Access Journals (Sweden)

    G. Amy

    2008-07-01

    Full Text Available Rejections of pharmaceutical compounds (Ibuprofen, Diclofenac, Clofibric acid, Naproxen, Primidone, Phenacetin and organic compounds (Dichloroacetic acid, Trichloroacetic acid, Chloroform, Bromoform, Trichloroethene, Perchloroethene, Carbontetrachloride, Carbontetrabromide by NF (Filmtec, Saehan and RO (Filmtec, Saehan, Toray, Koch membranes were studied. Chloroform presented the lowest rejection due to small molar volume, equivalent width and length. Diclofenac and Primidone showed high rejections related to high molar volume and length. Dichloroacetic acid and Trichloroacetic acid presented good rejections caused by charge exclusion instead of steric hindrance mechanism influencing rejection. Bromoform and Trichloroethene showed low rejections due to small length and equivalent width. Carbontetrabromide, Perchloroethene and Carbontetrachloride with higher equivalent width than BF and TCE presented better rejections. A qualitative analysis of variables using Principal Component Analysis was successfully implemented for reduction of physical-chemical compound properties that influence membrane rejection of PhACs and organic compounds. Properties such as dipole moment, molar volume, hydrophobicity/hydrophilicity, molecular length and equivalent width were found to be important descriptors for simulation of membrane rejection. For membranes used in the experiments, we may conclude that charge repulsion was an important mechanism of rejection for ionic compounds. After analysis with Multiple Linear Regression, we also may conclude that membrane rejection of neutral compounds was well predicted by molar volume, length, equivalent width, hydrophobicity/hydrophilicity and dipole moment. Molecular weight was a poor descriptor variable for rejection modelling. We were able to provide acceptable statistical significance for important results.

  9. Personal exposure to mixtures of volatile organic compounds: modeling and further analysis of the RIOPA data.

    Science.gov (United States)

    Batterman, Stuart; Su, Feng-Chiao; Li, Shi; Mukherjee, Bhramar; Jia, Chunrong

    2014-06-01

    Emission sources of volatile organic compounds (VOCs*) are numerous and widespread in both indoor and outdoor environments. Concentrations of VOCs indoors typically exceed outdoor levels, and most people spend nearly 90% of their time indoors. Thus, indoor sources generally contribute the majority of VOC exposures for most people. VOC exposure has been associated with a wide range of acute and chronic health effects; for example, asthma, respiratory diseases, liver and kidney dysfunction, neurologic impairment, and cancer. Although exposures to most VOCs for most persons fall below health-based guidelines, and long-term trends show decreases in ambient emissions and concentrations, a subset of individuals experience much higher exposures that exceed guidelines. Thus, exposure to VOCs remains an important environmental health concern. The present understanding of VOC exposures is incomplete. With the exception of a few compounds, concentration and especially exposure data are limited; and like other environmental data, VOC exposure data can show multiple modes, low and high extreme values, and sometimes a large portion of data below method detection limits (MDLs). Field data also show considerable spatial or interpersonal variability, and although evidence is limited, temporal variability seems high. These characteristics can complicate modeling and other analyses aimed at risk assessment, policy actions, and exposure management. In addition to these analytic and statistical issues, exposure typically occurs as a mixture, and mixture components may interact or jointly contribute to adverse effects. However most pollutant regulations, guidelines, and studies remain focused on single compounds, and thus may underestimate cumulative exposures and risks arising from coexposures. In addition, the composition of VOC mixtures has not been thoroughly investigated, and mixture components show varying and complex dependencies. Finally, although many factors are known to

  10. Thermal Modeling of a Hybrid Thermoelectric Solar Collector with a Compound Parabolic Concentrator

    Science.gov (United States)

    Lertsatitthanakorn, C.; Jamradloedluk, J.; Rungsiyopas, M.

    2013-07-01

    In this study radiant light from the sun is used by a hybrid thermoelectric (TE) solar collector and a compound parabolic concentrator (CPC) to generate electricity and thermal energy. The hybrid TE solar collector system described in this report is composed of transparent glass, an air gap, an absorber plate, TE modules, a heat sink to cool the water, and a storage tank. Incident solar radiation falls on the CPC, which directs and reflects the radiation to heat up the absorber plate, creating a temperature difference across the TE modules. The water, which absorbs heat from the hot TE modules, flows through the heat sink to release its heat. The results show that the electrical power output and the conversion efficiency depend on the temperature difference between the hot and cold sides of the TE modules. A maximum power output of 1.03 W and a conversion efficiency of 0.6% were obtained when the temperature difference was 12°C. The thermal efficiency increased as the water flow rate increased. The maximum thermal efficiency achieved was 43.3%, corresponding to a water flow rate of 0.24 kg/s. These experimental results verify that using a TE solar collector with a CPC to produce both electrical power and thermal energy seems to be feasible. The thermal model and calculation method can be applied for performance prediction.

  11. Catalytic Hydrodeoxygenation of Bio-oil Model Compounds over Pt/HY Catalyst

    Science.gov (United States)

    Lee, Heejin; Kim, Hannah; Yu, Mi Jin; Ko, Chang Hyun; Jeon, Jong-Ki; Jae, Jungho; Park, Sung Hoon; Jung, Sang-Chul; Park, Young-Kwon

    2016-06-01

    The hydrodeoxygenation of a model compound of lignin-derived bio-oil, guaiacol, which can be obtained from the pyrolysis of biomass to bio-oil, has attracted considerable research attention because of its huge potential as a substitute for conventional fuels. In this study, platinum-loaded HY zeolites (Pt/HY) with different Si/Al molar ratios were used as catalysts for the hydrodeoxygenation of guaiacol, anisole, veratrole, and phenol to a range of hydrocarbons, such as cyclohexane. The cyclohexane (major product) yield increased with increasing number of acid sites. To produce bio-oil with the maximum level of cyclohexane and alkylated cyclohexanes, which would be suitable as a substitute for conventional transportation fuels, the Si/Al molar ratio should be optimized to balance the Pt particle-induced hydrogenation with acid site-induced methyl group transfer. The fuel properties of real bio-oil derived from the fast pyrolysis of cork oak was improved using the Pt/HY catalyst.

  12. Sorption of agrochemical model compounds by sorbent materials containing beta-cyclodextrin.

    Science.gov (United States)

    Wilson, Lee D; Mohamed, Mohamed H; Guo, Rui; Pratt, Dawn Y; Kwon, Jae Hyuck; Mahmud, Sarker T

    2010-04-01

    Polymeric sorbent materials that incorporate beta-cyclodextrin (CD) have been prepared and their sorption behavior toward two model agrochemical contaminant compounds, p-nitrophenol (PNP) and methyl chloride examined. The sorption of PNP was studied in aqueous solution using ultraviolet-visible (UV-Vis) spectroscopy, whereas the sorption of methyl chloride from the gas phase was studied using a Langmuir adsorption method. The sorption results for PNP in solution were compared between granular activated carbon (GAC), modified GAC, CD copolymers, and CD-based mesoporous silica hybrid materials. Nitrogen porosimetry at 77 K was used to estimate the surface area and pore structure properties of the sorbent materials. The sorbents displayed variable surface areas as follows: copolymers (36.2-157 m(2)/g), CD-silica materials (307-906 m(2)/g), surface modified GAC (657 m(2)/g), and granular activated carbon (approximately 10(3) m(2)/g). The sorption capacities for PNP and methyl chloride with the different sorbents are listed in descending order as follows: GAC > copolymers > surface modified GAC > CD-silica hybrid materials. In general, the differences in the sorption properties of the sorbents were related to the following: (i) surface area of the sorbent, (ii) CD content and accessibility, (iii) and the chemical nature of the sorbent material.

  13. A new synthetic granular calcium phosphate compound induces new bone in a sinus lift rabbit model.

    Science.gov (United States)

    Trbakovic, Amela; Hedenqvist, Patricia; Mellgren, Torbjörn; Ley, Cecilia; Hilborn, Jöns; Ossipov, Dmitri; Ekman, Stina; Johansson, Carina B; Jensen-Waern, Marianne; Thor, Andreas

    2018-03-01

    The aim of this study was to investigate if a synthetic granular calcium phosphate compound (CPC) and a composite bisphosphonate-linked hyaluronic acid-calcium phosphate hydrogel (HABP·CaP) induced similar or more amount of bone as bovine mineral in a modified sinus lift rabbit model. Eighteen adult male New Zeeland White rabbits, received randomly one of the two test materials on a random side of the face, and bovine mineral as control on the contralateral side. In a sinus lift, the sinus mucosa was elevated and a titanium mini-implant was placed in the alveolar bone. Augmentation material (CPC, HABP·CaP or bovine bone) was applied in the space around the implant. The rabbits were euthanized three months after surgery and qualitative and histomorphometric evaluation were conducted. Histomorphometric evaluation included three different regions of interest (ROIs) and the bone to implant contact on each installed implant. Qualitative assessment (p = <.05), histomorphometric evaluations (p = < .01), and implant incorporation (p = <.05) showed that CPC and bovine mineral induced similar amount of bone and more than the HABP·CaP hydrogel. CPC induced similar amount of bone as bovine mineral and both materials induced more bone than HABP·CaP hydrogel. The CPC is suggested as a synthetic alternative for augmentations in the maxillofacial area. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Biomimetic Catalysts for Oxidation of Veratryl Alcohol, a Lignin Model Compound

    Directory of Open Access Journals (Sweden)

    Marcelino Maneiro

    2013-03-01

    Full Text Available Kraft pulp has to be bleached to eliminate the chromophoric structures, which cause a darkening of the pulp. In Nature, an equivalent role is assumed by ligninolytic enzymes such as lignin peroxidases, manganese peroxidases and laccases. The development of low molecular weight manganese peroxidase mimics may achieve environmentally-safe bleaching catalysts for the industry. Herein we report the synthesis and characterization of six manganese(III complexes 1–6, incorporating dianionic hexadentate Schiff base ligands (H2L1-H2L4 and different anions. Complex 4, Mn2L22(H2O2(DCA2 was crystallographically characterized. Complexes 1–4 behave as more efficient mimics of peroxidase in contrast to 5–6. We have studied the use of these complexes as catalysts for the degradation of the lignin model compound veratryl alcohol. The biomimetic catalysts were used in conjunction with chlorine-free inexpensive co-oxidants as dioxygen or hydrogen peroxide. Yields up to 30% of veratryl alcohol conversion to veratraldehyde have been achieved at room temperature in presence of air flow using 0.5% of catalyst.

  15. Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase

    Directory of Open Access Journals (Sweden)

    C. Mouchel-Vallon

    2013-01-01

    Full Text Available The gas phase oxidation of organic species is a multigenerational process involving a large number of secondary compounds. Most secondary organic species are water-soluble multifunctional oxygenated molecules. The fully explicit chemical mechanism GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere is used to describe the oxidation of organics in the gas phase and their mass transfer to the aqueous phase. The oxidation of three hydrocarbons of atmospheric interest (isoprene, octane and α-pinene is investigated for various NOx conditions. The simulated oxidative trajectories are examined in a new two dimensional space defined by the mean oxidation state and the solubility. The amount of dissolved organic matter was found to be very low (yield less than 2% on carbon atom basis under a water content typical of deliquescent aerosols. For cloud water content, 50% (isoprene oxidation to 70% (octane oxidation of the carbon atoms are found in the aqueous phase after the removal of the parent hydrocarbons for low NOx conditions. For high NOx conditions, this ratio is only 5% in the isoprene oxidation case, but remains large for α-pinene and octane oxidation cases (40% and 60%, respectively. Although the model does not yet include chemical reactions in the aqueous phase, much of this dissolved organic matter should be processed in cloud drops and modify both oxidation rates and the speciation of organic species.

  16. Naringin, a natural dietary compound, prevents intestinal tumorigenesis in Apc (Min/+) mouse model.

    Science.gov (United States)

    Zhang, Yu-Sheng; Li, Ye; Wang, Yan; Sun, Shi-Yue; Jiang, Tao; Li, Cong; Cui, Shu-Xiang; Qu, Xian-Jun

    2016-05-01

    Naringin is a natural dietary flavonoid compound. We aimed to evaluate the effects of naringin on intestinal tumorigenesis in the adenomatous polyposis coli multiple intestinal neoplasia (Apc (Min/+)) mouse model. Apc (Min/+) mice were given either naringin (150 mg/kg) or vehicle by p.o. gavage daily for 12 consecutive weeks. Mice were killed with ether, and blood samples were collected to assess the concentrations of IL-6 and PGE2. Total intestines were removed, and the number of polyps was examined. Tissue samples of intestinal polyps were subjected to the assays of histopathology, immunohistochemical analysis and Western blotting analysis. Apc (Min/+) mice fed with naringin developed less and smaller polyps in total intestines. Naringin prevented intestinal tumorigenesis without adverse effects. Histopathologic analysis revealed the reduction of dysplastic cells and dysplasia in the adenomatous polyps. The treatments' effects might arise from its anti-proliferation, induction of apoptosis and modulation of GSK-3β and APC/β-catenin signaling pathways. Naringin also exerted its effects on tumorigenesis through anti-chronic inflammation. Naringin prevented intestinal tumorigenesis likely through a collection of activities including anti-proliferation, induction of apoptosis, modulation of GSK-3β and APC/β-catenin pathways and anti-inflammation. Naringin is a potential chemopreventive agent for reducing the risk of colonic cancers.

  17. Alkoxyl- and carbon-centered radicals as primary agents for degrading non-phenolic lignin-substructure model compounds.

    Science.gov (United States)

    Ohashi, Yasunori; Uno, Yukiko; Amirta, Rudianto; Watanabe, Takahito; Honda, Yoichi; Watanabe, Takashi

    2011-04-07

    Lignin degradation by white-rot fungi proceeds via free radical reaction catalyzed by oxidative enzymes and metabolites. Basidiomycetes called selective white-rot fungi degrade both phenolic and non-phenolic lignin substructures without penetration of extracellular enzymes into the cell wall. Extracellular lipid peroxidation has been proposed as a possible ligninolytic mechanism, and radical species degrading the recalcitrant non-phenolic lignin substructures have been discussed. Reactions between the non-phenolic lignin model compounds and radicals produced from azo compounds in air have previously been analysed, and peroxyl radical (PR) is postulated to be responsible for lignin degradation (Kapich et al., FEBS Lett., 1999, 461, 115-119). However, because the thermolysis of azo compounds in air generates both a carbon-centred radical (CR) and a peroxyl radical (PR), we re-examined the reactivity of the three radicals alkoxyl radical (AR), CR and PR towards non-phenolic monomeric and dimeric lignin model compounds. The dimeric lignin model compound is degraded by CR produced by reaction of 2,2'-azobis(2-amidinopropane) dihydrochloride (AAPH), which under N(2) atmosphere cleaves the α-β bond in 1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol to yield 4-ethoxy-3-methoxybenzaldehyde. However, it is not degraded by the PR produced by reaction of Ce(4+)/tert-BuOOH. In addition, it is degraded by AR produced by reaction of Ti(3+)/tert-BuOOH. PR and AR are generated in the presence and absence of veratryl alcohol, respectively. Rapid-flow ESR analysis of the radical species demonstrates that AR but not PR reacts with the lignin model compound. Thus, AR and CR are primary agents for the degradation of non-phenolic lignin substructures.

  18. Generalized correlation of latent heats of vaporization of coal liquid model compounds between their freezing points and critical points

    Energy Technology Data Exchange (ETDEWEB)

    Sivaraman, A.; Kobuyashi, R.; Mayee, J.W.

    1984-02-01

    Based on Pitzer's three-parameter corresponding states principle, the authors have developed a correlation of the latent heat of vaporization of aromatic coal liquid model compounds for a temperature range from the freezing point to the critical point. An expansion of the form L = L/sub 0/ + ..omega..L /sub 1/ is used for the dimensionless latent heat of vaporization. This model utilizes a nonanalytic functional form based on results derived from renormalization group theory of fluids in the vicinity of the critical point. A simple expression for the latent heat of vaporization L = D/sub 1/epsilon /SUP 0.3333/ + D/sub 2/epsilon /SUP 0.8333/ + D/sub 4/epsilon /SUP 1.2083/ + E/sub 1/epsilon + E/sub 2/epsilon/sup 2/ + E/sub 3/epsilon/sup 3/ is cast in a corresponding states principle correlation for coal liquid compounds. Benzene, the basic constituent of the functional groups of the multi-ring coal liquid compounds, is used as the reference compound in the present correlation. This model works very well at both low and high reduced temperatures approaching the critical point (0.02 < epsilon = (T /SUB c/ - T)/(T /SUB c/- 0.69)). About 16 compounds, including single, two, and three-ring compounds, have been tested and the percent root-mean-square deviations in latent heat of vaporization reported and estimated through the model are 0.42 to 5.27%. Tables of the coefficients of L/sub 0/ and L/sub 1/ are presented. The contributing terms of the latent heat of vaporization function are also presented in a table for small increments of epsilon.

  19. In situ heat treatment of a tar sands formation after drive process treatment

    Science.gov (United States)

    Vinegar, Harold J.; Stanecki, John

    2010-09-21

    A method for treating a tar sands formation includes providing a drive fluid to a hydrocarbon containing layer of the tar sands formation to mobilize at least some hydrocarbons in the layer. At least some first hydrocarbons from the layer are produced. Heat is provided to the layer from one or more heaters located in the formation. At least some second hydrocarbons are produced from the layer of the formation. The second hydrocarbons include at least some hydrocarbons that are upgraded compared to the first hydrocarbons produced by using the drive fluid.

  20. Iron-based materials as tar cracking catalyst in waste gasification

    Energy Technology Data Exchange (ETDEWEB)

    Nordgreen, Thomas

    2011-07-01

    The treatment of municipal solid waste (MSW) in Sweden has changed during the past decades due to national legislation and European Union directives. The former landfills have more or less been abandoned in favour of material recycling and waste incineration. On a yearly basis approximately 2.2 million tonnes waste are incinerated in Sweden with heat recovery and to some extent also with electricity generation, though at a low efficiency. It is desirable to alter this utilisation and instead employ MSW as fuel in a fluid bed gasification process. Then electrical energy may be produced at a much higher efficiency. However, MSW contain about 1 % chlorine in the form of ordinary table salt (NaCl) from food scraps. This implies that the tar cracking catalyst, dolomite, which is normally employed in gasification, will suffer from poisoning if applied under such conditions. Then the tar cracking capacity will be reduced or vanish completely with time. Consequently, an alternative catalyst, more resistant to chlorine, is needed. Preliminary research at KTH has indicated that iron in its metallic state may possess tar cracking ability. With this information at hand and participating in the project 'Energy from Waste' an experimental campaign was launched. Numerous experiments were conducted using iron as tar cracking catalyst. First iron sinter pellets from LKAB were employed. They were reduced in situ with a stream of hydrogen before they were applied. Later iron-based granules from Hoeganaes AB were tested. These materials were delivered in the metallic state. In all tests the KTH atmospheric fluidised bed gasifier with a secondary catalytic reactor housing the catalytic material was deployed. Mostly, the applied fuel was birch. The results show that metallic iron possesses an intrinsic ability, almost in the range of dolomite, to crack tars. Calculations indicate that iron may be more resistant to chlorine than dolomite. The exploration of metallic iron

  1. Durability and regeneration of catalysts of the iron family in hydrogenation of low-temperature tar

    Energy Technology Data Exchange (ETDEWEB)

    Funasaka, W; Yokogawa, C; Hayashi, K; Kawamura, T; Fujita, H; Suga, S

    1949-01-01

    The low-temperature tar consisting of neutral and acidic oils has been reduced under atmospheric pressure between 400/sup 0/ and 500/sup 0/ by using catalysts prepared from Fe-Cr-kieselguhr, yellow ocher, and other material. When the reduction was performed at 480/sup 0/ with the yellow ocher from Niwasaka, Fukushima Prefacture, Japan, the low-temperature tar was easily converted to neutral and light oils and the catalysts could be regenerated by repeated baking and reduction. It is concluded that the commercialization of this reduction process is possible by using a cycle (each takes 20 minutes) composed of catalytic reaction, baking, and reduction of the catalysts.

  2. Polycyclic aromatic hydrocarbons (PAHs) in a coal tar standard reference material - SRM 1597a updated

    Energy Technology Data Exchange (ETDEWEB)

    Wise, Stephen A.; Poster, Dianne L.; Rimmer, Catherine A.; Schubert, Patricia; Sander, Lane C.; Schantz, Michele M. [National Institute of Standards and Technology (NIST), Analytical Chemistry Division, Gaithersburg, MD (United States); Leigh, Stefan D. [National Institute of Standards and Technology (NIST), Statistical Engineering Division, Gaithersburg, MD (United States); Moessner, Stephanie [National Institute of Standards and Technology (NIST), Analytical Chemistry Division, Gaithersburg, MD (United States); GMP/Comparator Labs, Werthenstein Chemie AG, Industrie Nord, Schachen (Switzerland)

    2010-09-15

    SRM 1597 Complex Mixture of Polycyclic Aromatic Hydrocarbons from Coal Tar, originally issued in 1987, was recently reanalyzed and reissued as SRM 1597a with 34 certified, 46 reference, and 12 information concentrations (as mass fractions) for polycyclic aromatic hydrocarbons (PAHs) and polycyclic aromatic sulfur heterocycles (PASHs) including methyl-substituted PAHs and PASHs. The certified and reference concentrations (as mass fractions) were based on results of analyses of the coal tar material using multiple analytical techniques including gas chromatography/mass spectrometry on four different stationary phases and reversed-phase liquid chromatography. SRM 1597a is currently the most extensively characterized SRM for PAHs and PASHs. (orig.)

  3. Heavy crude and tar sands - the long-term oil reserve

    Energy Technology Data Exchange (ETDEWEB)

    Barnea, J

    1984-10-01

    It appears that heavy crude and tar sands occur in many sedimentary areas, and estimates of known world-wide quantities exceed those known for conventional light crude resources. Although there are not precise figures available, production could be as high as three million barrels per day, with Venezuela, the US, and Canada the largest producers. There are different scales to measure the costs of production because of differences in the quality of various types of heavy crude and tar sands. Economic development of these resources should banish fears of oil scarcity in the foreseeable future. A center for information exchange through international meetings and publications is under development.

  4. Radiocarbon dating of extinct fauna in the Americas recovered from tar pits

    International Nuclear Information System (INIS)

    Jull, A.J.T.; Iturralde-Vinent, M.; O'Malley, J.M.; MacPhee, R.D.E.; McDonald, H.G.; Martin, P.S.; Moody, J.; Rincon, A.

    2004-01-01

    We have obtained radiocarbon dates by accelerator mass spectrometry on bones of extinct large mammals from tar pits. Results on some samples of Glyptodon and Holmesina (extinct large mammals similar to armadillos) yielded ages of >25 and >21 ka, respectively. We also studied the radiocarbon ages of three different samples of bones from the extinct Cuban ground sloth, Parocnus bownii, which yielded dates ranging from 4960 ± 280 to 11 880 ± 420 yr BP. In order to remove the tar component pretreat the samples sufficiently to obtain reliable dates, we cleaned the samples by Soxhlet extraction in benzene. Resulting samples of collagenous material were often small

  5. Paleontological overview of oil shale and tar sands areas in Colorado, Utah, and Wyoming.

    Energy Technology Data Exchange (ETDEWEB)

    Murphey, P. C.; Daitch, D.; Environmental Science Division

    2009-02-11

    In August 2005, the U.S. Congress enacted the Energy Policy Act of 2005, Public Law 109-58. In Section 369 of this Act, also known as the ''Oil Shale, Tar Sands, and Other Strategic Unconventional Fuels Act of 2005,'' Congress declared that oil shale and tar sands (and other unconventional fuels) are strategically important domestic energy resources that should be developed to reduce the nation's growing dependence on oil from politically and economically unstable foreign sources. In addition, Congress declared that both research- and commercial-scale development of oil shale and tar sands should (1) be conducted in an environmentally sound manner using management practices that will minimize potential impacts, (2) occur with an emphasis on sustainability, and (3) benefit the United States while taking into account concerns of the affected states and communities. To support this declaration of policy, Congress directed the Secretary of the Interior to undertake a series of steps, several of which are directly related to the development of a commercial leasing program for oil shale and tar sands. One of these steps was the completion of a programmatic environmental impact statement (PEIS) to analyze the impacts of a commercial leasing program for oil shale and tar sands resources on public lands, with an emphasis on the most geologically prospective lands in Colorado, Utah, and Wyoming. For oil shale, the scope of the PEIS analysis includes public lands within the Green River, Washakie, Uinta, and Piceance Creek Basins. For tar sands, the scope includes Special Tar Sand Areas (STSAs) located in Utah. This paleontological resources overview report was prepared in support of the Oil Shale and Tar Sands Resource Management Plan Amendments to Address Land Use Allocations in Colorado, Utah, and Wyoming and PEIS, and it is intended to be used by Bureau of Land Management (BLM) regional paleontologists and field office staff to support future

  6. Investigation of the lithium ion mobility in cyclic model compounds and their ion conduction properties

    Energy Technology Data Exchange (ETDEWEB)

    Thielen, Joerg

    2011-07-27

    In view of both, energy density and energy drain, rechargeable lithium ion batteries outperform other present accumulator systems. However, despite great efforts over the last decades, the ideal electrolyte in terms of key characteristics such as capacity, cycle life, and most important reliable safety, has not yet been identified. Steps ahead in lithium ion battery technology require a fundamental understanding of lithium ion transport, salt association, and ion solvation within the electrolyte. Indeed, well defined model compounds allow for systematic studies of molecular ion transport. Thus, in the present work, based on the concept of immobilizing ion solvents, three main series with a cyclotriphosphazene (CTP), hexaphenylbenzene (HBP), and tetramethylcyclotetrasiloxane (TMS) scaffold were prepared. Lithium ion solvents, among others ethylene carbonate (EC), which has proven to fulfill together with propylene carbonate safety and market concerns in commercial lithium ion batteries, were attached to the different cores via alkyl spacers of variable length. All model compounds were fully characterized, pure and thermally stable up to at least 235 C, covering the requested broad range of glass transition temperatures from -78.1 C up to +6.2 C. While the CTP models tend to rearrange at elevated temperatures over time, which questions the general stability of alkoxide related (poly)phosphazenes, both, the HPB and CTP based models show no evidence of core stacking. In particular the CTP derivatives represent good solvents for various lithium salts, exhibiting no significant differences in the ionic conductivity {sigma}{sub dc} and thus indicating comparable salt dissociation and rather independent motion of cations and ions. In general, temperature-dependent bulk ionic conductivities investigated via impedance spectroscopy follow a William-Landel-Ferry (WLF) type behavior. Modifications of the alkyl spacer length were shown to influence ionic conductivities only in

  7. Genome Sequence of Pseudomonas sp. Strain Chol1, a Model Organism for the Degradation of Bile Salts and Other Steroid Compounds

    KAUST Repository

    Holert, Johannes; Alam, Intikhab; Larsen, Michael; Antunes, Andre; Bajic, Vladimir B.; Stingl, Ulrich; Philipp, Bodo

    2013-01-01

    Bacterial degradation of steroid compounds is of high ecological and biotechnological relevance. Pseudomonas sp. strain Chol1 is a model organism for studying the degradation of the steroid compound cholate. Its draft genome sequence is presented and reveals one gene cluster responsible for the metabolism of steroid compounds.

  8. Genome Sequence of Pseudomonas sp. Strain Chol1, a Model Organism for the Degradation of Bile Salts and Other Steroid Compounds

    KAUST Repository

    Holert, Johannes

    2013-01-15

    Bacterial degradation of steroid compounds is of high ecological and biotechnological relevance. Pseudomonas sp. strain Chol1 is a model organism for studying the degradation of the steroid compound cholate. Its draft genome sequence is presented and reveals one gene cluster responsible for the metabolism of steroid compounds.

  9. Compound analysis of gallstones using dual energy computed tomography-Results in a phantom model

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Ralf W., E-mail: ralfwbauer@aol.co [Department of Diagnostic and Interventional Radiology, Clinic of the Goethe University Frankfurt, Theodor-Stern-Kai 7, 60596 Frankfurt (Germany); Schulz, Julian R., E-mail: julian.schulz@t-online.d [Department of Diagnostic and Interventional Radiology, Clinic of the Goethe University Frankfurt, Theodor-Stern-Kai 7, 60596 Frankfurt (Germany); Zedler, Barbara, E-mail: zedler@em.uni-frankfurt.d [Department of Forensic Medicine, Clinic of the Goethe University Frankfurt, Kennedyallee 104, 60596 Frankfurt (Germany); Graf, Thomas G., E-mail: thomas.gt.graf@siemens.co [Siemens AG Healthcare Sector, Computed Tomography, Physics and Applications, Siemensstrasse 1, 91313 Forchheim (Germany); Vogl, Thomas J., E-mail: t.vogl@em.uni-frankfurt.d [Department of Diagnostic and Interventional Radiology, Clinic of the Goethe University Frankfurt, Theodor-Stern-Kai 7, 60596 Frankfurt (Germany)

    2010-07-15

    Purpose: The potential of dual energy computed tomography (DECT) for the analysis of gallstone compounds was investigated. The main goal was to find parameters, that can reliably define high percentage (>70%) cholesterol stones without calcium components. Materials and methods: 35 gallstones were analyzed with DECT using a phantom model. Stone samples were put into specimen containers filled with formalin. Containers were put into a water-filled cylindrical acrylic glass phantom. DECT scans were performed using a tube voltage/current of 140 kV/83 mAs (tube A) and 80 kV/340 mAs (tube B). ROI-measurements to determine CT attenuation of each sector of the stones that had different appearance on the CT images were performed. Finally, semi-quantitative infrared spectroscopy (FTIR) of these sectors was performed for chemical analysis. Results: ROI-measurements were performed in 45 different sectors in 35 gallstones. Sectors containing >70% of cholesterol and no calcium component (n = 20) on FTIR could be identified with 95% sensitivity and 100% specificity on DECT. These sectors showed typical attenuation of -8 {+-} 4 HU at 80 kV and +22 {+-} 3 HU at 140 kV. Even the presence of a small calcium component (<10%) hindered the reliable identification of cholesterol components as such. Conclusion: Dual energy CT allows for reliable identification of gallstones containing a high percentage of cholesterol and no calcium component in this pre-clinical phantom model. Results from in vivo or anthropomorphic phantom trials will have to confirm these results. This may enable the identification of patients eligible for non-surgical treatment options in the future.

  10. Compound analysis of gallstones using dual energy computed tomography-Results in a phantom model

    International Nuclear Information System (INIS)

    Bauer, Ralf W.; Schulz, Julian R.; Zedler, Barbara; Graf, Thomas G.; Vogl, Thomas J.

    2010-01-01

    Purpose: The potential of dual energy computed tomography (DECT) for the analysis of gallstone compounds was investigated. The main goal was to find parameters, that can reliably define high percentage (>70%) cholesterol stones without calcium components. Materials and methods: 35 gallstones were analyzed with DECT using a phantom model. Stone samples were put into specimen containers filled with formalin. Containers were put into a water-filled cylindrical acrylic glass phantom. DECT scans were performed using a tube voltage/current of 140 kV/83 mAs (tube A) and 80 kV/340 mAs (tube B). ROI-measurements to determine CT attenuation of each sector of the stones that had different appearance on the CT images were performed. Finally, semi-quantitative infrared spectroscopy (FTIR) of these sectors was performed for chemical analysis. Results: ROI-measurements were performed in 45 different sectors in 35 gallstones. Sectors containing >70% of cholesterol and no calcium component (n = 20) on FTIR could be identified with 95% sensitivity and 100% specificity on DECT. These sectors showed typical attenuation of -8 ± 4 HU at 80 kV and +22 ± 3 HU at 140 kV. Even the presence of a small calcium component (<10%) hindered the reliable identification of cholesterol components as such. Conclusion: Dual energy CT allows for reliable identification of gallstones containing a high percentage of cholesterol and no calcium component in this pre-clinical phantom model. Results from in vivo or anthropomorphic phantom trials will have to confirm these results. This may enable the identification of patients eligible for non-surgical treatment options in the future.

  11. Literature search on the environmental impacts of tar sands operations

    International Nuclear Information System (INIS)

    Birkholz, D.; Prendergast, S.

    1990-09-01

    An extensive review is presented of the literature on the chemistry and biological impacts of current and potential effluents and discharges from oil sands plants on the Athabasca River. The pollutant compounds of interest included polycyclic aromatic hydrocarbons, methyl homologues and metabolites, polycyclic aromatic sulfur heterocycles, polycyclic aromatic nitrogen heterocycles, and naphthenic acids. Topics of interest include chemical methods for identifying and quantitating the above compounds and their metabolites, their sources and release rates, their toxicity to native fish of the Athabasca system, and their degradation in the natural environment. 376 refs., 4 figs., 26 tabs

  12. Nonparametric estimation of the heterogeneity of a random medium using compound Poisson process modeling of wave multiple scattering.

    Science.gov (United States)

    Le Bihan, Nicolas; Margerin, Ludovic

    2009-07-01

    In this paper, we present a nonparametric method to estimate the heterogeneity of a random medium from the angular distribution of intensity of waves transmitted through a slab of random material. Our approach is based on the modeling of forward multiple scattering using compound Poisson processes on compact Lie groups. The estimation technique is validated through numerical simulations based on radiative transfer theory.

  13. Catalytic hydroprocessing of lignin β-O-4 ether bond model compound phenethyl phenyl ether over ruthenium catalysts

    NARCIS (Netherlands)

    Gomez-Monedero, B.; Faria, J.; Bimbela, F.; Ruiz, M.P.

    2017-01-01

    The catalytic hydroprocessing of phenethyl phenyl ether (PPE), a model compound of one of the most significant ether linkages within lignin structure, β-O-4, has been studied. Reactions were carried out using two ruthenium-based catalysts, supported on different materials: 3.8 wt.% Ru/C and 3.9 wt.%

  14. A model compound (methyl oleate, oleic acid, triolein) study of triglycerides hydrodeoxygenation over alumina-supported NiMo sulfide

    NARCIS (Netherlands)

    Coumans, A.E.; Hensen, E.J.M.

    We studied hydrodeoxygenation of model compounds for vegetable oil into diesel-range hydrocarbons on a sulfided NiMo/γ-Al2O3 catalyst under trickle-flow conditions. Methyl oleate (methyl ester of oleic acid, a C18 fatty acid with one unsaturated bond in the chain) represented the C18 alkyl esters in

  15. Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization : Identification of Renewable Aromatics and a Lignin-Derived Solvent

    NARCIS (Netherlands)

    Lahive, Ciaran W; Deuss, Peter J; Lancefield, Christopher S; Sun, Zhuohua; Cordes, David B; Young, Claire; Tran, Fanny; Slawin, Alexandra M Z; de Vries, Johannes G; Kamer, Paul C J; Westwood, Nicholas J; Barta, Katalin

    2016-01-01

    The development of fundamentally new approaches for lignin depolymerization is challenged by the complexity of this aromatic biopolymer. While overly simplified model compounds often lack relevance to the chemistry of lignin, the direct use of lignin streams poses significant analytical challenges

  16. In situ spectroscopic investigation of the cobalt-catalyzed oxidation of lignin model compounds in ionic liquids

    NARCIS (Netherlands)

    Zakzeski, J.|info:eu-repo/dai/nl/326160256; Bruijnincx, P.C.A.|info:eu-repo/dai/nl/33799529X; Weckhuysen, B.M.|info:eu-repo/dai/nl/285484397

    2011-01-01

    The cobalt-catalyzed oxidation of lignin and lignin model compounds using molecular oxygen in ionic liquids proceeds readily under mild conditions, but mechanistic insight and evidence for the species involved in the catalytic cycle is lacking. In this study, a spectroscopic investigation of the

  17. Analysis of the use of coal tar as a binder in bituminous mixtures, using Marshall and Ramcodes methodologies

    International Nuclear Information System (INIS)

    Ochoa-Díaz, R

    2013-01-01

    This paper presents an alternative use of coal tar, a by-product of the steel industry, given the problems of accumulation and negative environmental impact. Therefore, it is necessary to analyze the incorporation of coal tar as a binder in paving mixtures. First, this paper presents the origin, description of the main characteristics, and properties of tar. Then, this paper evaluates the mix of coal tar by means of the RAMCODES and Marshall methodologies to determine its resistance. The results of the tests explain the physical and mechanical properties of the mix. Taking into account the results of both methods, this paper makes a comparison to determine the suitability of the RAMCODES methodology in the mix design. Finally, it analyzes the alternatives to coal tar that can be used as binders in bituminous mixes for pavement and the advantages of their uses under some specific conditions

  18. Skin cancer in patients with psoriasis treated with coal tar. A 25-year follow-up study

    International Nuclear Information System (INIS)

    Pittelkow, M.R.; Perry, H.O.; Muller, S.A.; Maughan, W.Z.; O'Brien, P.C.

    1981-01-01

    For many years, crude coal tar has been used for the treatment of psoriasis. The possible carcinogenic effect of crude coal tar and ultraviolet (UV) radiation (Goeckerman regimen), considered individually or in combination, has been of some concern to physicians. A 25-year follow-up study was completed on 280 patients with psoriasis who were hospitalized and treated with crude coal tar and UV radiation at the Mayo Clinic, Rochester, Minn, during the years 1950 through 1954. The results of this study suggest that the incidence of skin cancer is not appreciably increased above the expected incidence for the general population when patients are treated with coal tar ointments. It seems that the Goeckerman regimen (topical crude coal tar combined with UV radiation) can be used with minimal risk for skin cancer in the treatment of psoriasis

  19. Evaluation of different oxygen carriers for biomass tar reforming

    DEFF Research Database (Denmark)

    Mendiara, Teresa; Johansen, Joakim Myung; Utrilla, Rubén

    2011-01-01

    –ZrO2 (Mn40) and FeTiO3 (Fe) and their tendency to carbon deposition was analyzed in the temperature range 873–1073K. In the present paper, the reactivity of these carriers to other compounds in the gasification gas is studied, also with special emphasis on the tendency to carbon deposition. Experiments...

  20. Zero VOC, Coal Tar Free Splash Zone Coating (SZC)

    Science.gov (United States)

    2010-12-01

    used for impregnating leather and other porous materials. Compounds based on these polymers are used in industrial and building construction...in Water D 520 Specification for Zinc Dust Pigment D 521 Test Methods for Chemical Analysis of Zinc Dust (Metallic Zinc Powder