WorldWideScience

Sample records for tar model compound

  1. Thermocatalytic treatment of biomass tar model compounds via radio frequency.

    Science.gov (United States)

    Anis, Samsudin; Zainal, Z A; Bakar, M Z A

    2013-05-01

    A new effective RF tar thermocatalytic treatment process with low energy intensive has been proposed to remove tar from biomass gasification. Toluene and naphthalene as biomass tar model compounds were removed via both thermal and catalytic treatment over a wide temperature range from 850 °C to 1200 °C and 450 °C to 900 °C, respectively at residence time of 0-0.7 s. Thermal characteristics of the new technique are also described in this paper. This study clearly clarified that toluene was much easier to be removed than naphthalene. Soot was found as the final product of thermal treatment of the tar model and completely removed during catalytic treatment. Radical reactions generated by RF non-thermal effect improve the tar removal. The study showed that Y-zeolite has better catalytic activity compared to dolomite on toluene and naphthalene removal due to its acidic nature and large surface area, even at lower reaction temperature of about 550 °C. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. 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

  3. Study on kinetic model of microwave thermocatalytic treatment of biomass tar model compound.

    Science.gov (United States)

    Anis, Samsudin; Zainal, Z A

    2014-01-01

    Kinetic model parameters for toluene conversion under microwave thermocatalytic treatment were evaluated. The kinetic rate constants were determined using integral method based on experimental data and coupled with Arrhenius equation for obtaining the activation energies and pre-exponential factors. The model provides a good agreement with the experimental data. The kinetic model was also validated with standard error of 3% on average. The extrapolation of the model showed a reasonable trend to predict toluene conversion and product yield both in thermal and catalytic treatments. Under microwave irradiation, activation energy of toluene conversion was lower in the range of 3-27 kJ mol(-1) compared to those of conventional heating reported in the literatures. The overall reaction rate was six times higher compared to conventional heating. As a whole, the kinetic model works better for tar model removal in the absence of gas reforming within a level of reliability demonstrated in this study. Copyright © 2013 Elsevier Ltd. All rights reserved.

  4. Hybrid plasma-catalytic steam reforming of toluene as a biomass tar model compound over Ni/Al₂O₃ catalysts

    OpenAIRE

    Liu, SY; Mei, DH; Nahil, MA; Gadkari, S; Gu, S; Williams, PT; Tu, X

    2017-01-01

    In this study, plasma-catalytic steam reforming of toluene as a biomass tar model compound was carried out in a coaxial dielectric barrier discharge (DBD) plasma reactor. The effect of Ni/Al2O3 catalysts with different nickel loadings (5–20 wt%) on the plasma-catalytic gas cleaning process was evaluated in terms of toluene conversion, gas yield, by-products formation and energy efficiency of the plasma-catalytic process. Compared to the plasma reaction without a catalyst, the combination of D...

  5. Steam reforming of biomass gasification tar using benzene as a model compound over various Ni supported metal oxide catalysts.

    Science.gov (United States)

    Park, Hyun Ju; Park, Sung Hoon; Sohn, Jung Min; Park, Junhong; Jeon, Jong-Ki; Kim, Seung-Soo; Park, Young-Kwon

    2010-01-01

    The steam reforming of benzene as a model compound of biomass gasification tar was carried out over various Ni/metal oxide catalysts. The effects of the support, temperature, Ni-precursor, Ni loading and reaction time were examined, and their catalytic performance was compared with that of a commercial Ni catalyst. Among the Ni/metal oxide catalysts used, 15 wt% Ni/CeO(2)(75%)-ZrO(2)(25%) showed the highest catalytic performance owing to its greater redox characteristics and increased surface area, irrespective of the reaction temperature. The catalytic activity of 15 wt% Ni/CeO(2)(75%)-ZrO(2)(25%) was higher than that of the commercial Ni catalyst. Moreover, the catalyst activity was retained due to its excellent resistance to coke deposition even after 5h. The Ni-precursor played a critical role in the catalytic activity. With the exception of nickel nitrate, all the Ni-precursors (chloride and sulfate) caused deactivation of the catalyst.

  6. 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.

  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. 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.

  9. 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

    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...... acidic conditions. Concentrations of 10 coal tar compounds, representing mono-, poly-, and heterocyclic aromatic hydrocarbons that constitute crude coal tar were monitored in the effluent over a period of 377 days. Most compounds appeared in the effluent within the first 0.1 pore volume eluted indicating...... to inhibit coal tar dissolution and subsequent transport, even though only a small portion of tar was in direct contact with fractures and macropores that control most flow. (C) 2011 Elsevier B.V. All rights reserved....

  10. 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

  11. 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

  12. 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

  13. Environmental Forensics : Compound Specific Isotope Analysis Of PAHs. Study Of A Former Coal Tar Plant.

    Science.gov (United States)

    Assal, A.; Doherty, R.; Dickson, K.; Kalin, R. M.

    2008-12-01

    Stable carbon isotopic fingerprints of PAHs obtained by GC-IRMS have often been used in source apportionment studies. The use of PAHs in environmental forensics relies on the assumption that carbon isotopic fractionation caused by microbial degradation is less significant for these heavy molecular weight compounds than for lighter molecules such as chlorinated solvents or BTEX. Carbon isotopic fractionation of PAHs during degradation is still not well understood. The aim of this study was to assess the potential of CSIA of PAHs for environmental forensics applications at a complex (hydrogeology affected by tidal fluxes) former coal tar plant. In this work, soil samples from a tar works site were analyzed. The tar works operated on the site over a period of sixty years. A source apportionment study was first carried out based on 90 target PAHs quantified by GC-MS. These results were then compared to carbon isotope fingerprints. The separation of compounds of interest from co-extracted interfering peaks is a crucial prerequisite of CSIA by GC-IRMS. Hence, a sample preparation method which allowed the determination of precise carbon isotope signatures for up to 35 compounds per soil extract was developed, validated and applied to the samples previously analyzed by GC- MS. Although most soil samples were shown to be related to the point source tar contamination, PAHs ratios and principal component analysis of abundances highlighted some samples with unusual patterns, suggesting the input of a second source of contaminants. However, no statistically significant variation of the isotopic fingerprints of heavy molecular weight PAHs of these samples was observed. This was inconsistent with the first diagnosis. Since evidence was provided that most samples were only affected by a single source of contaminants, carbon isotopic fractionation was investigated in-situ. Importantly, naphthalene and 2- and 1- methylnaphthalenes isotopic fractionation was observed in a vertical

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

    NARCIS (Netherlands)

    Abu El-Rub, Z.; Bramer, E.A.; Brem, G.

    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

  15. 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.

  16. 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) ...

  17. Improving the modelling of the kinetics of the catalytic tar elimination in biomass gasification

    Energy Technology Data Exchange (ETDEWEB)

    Corella, J.; Toledo, J.M. [Department of Chemical Engineering, University ' Complutense' of Madrid (Spain); Aznar, M.P. [Dept. of Chem. and Environm. Engineering, University of Saragossa (Spain)

    2002-10-01

    A single one-lump first order reaction for the catalytic elimination of tar present in the flue gas from biomass fluidised-bed gasifiers is not good enough for some applications. A new and more advanced reacting network and microkinetic model has been generated and is here presented. It is based on two lumps, the more and the less reactive tar species, and has four kinetic constants. Each lump reacts (disappears) by both catalytic and thermal reactions. The microkinetic model is applied to results obtained, at around 840 deg C and at small pilot plant level, with two very different solids: silica sand and a commercial (ICI 46-1) nickel-based steam-reforming catalyst. The values found for the four kinetic constants are self-consistent, fit well the results and mean a clear step forward in the modelling of the catalytic tar abatement. (orig.)

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

    Indian Academy of Sciences (India)

    rohit

    Cost. G=Gamma. CV=Cross Validation. MCC=Matthew Correlation Coefficient. Test 1: C G CV Accuracy TP TN FP FN ... Conclusion: Without considering the MirTif negative dataset for training Model A and B classifiers, our Model A and B ...

  19. Field and Model Study to Define Baseline Conditions of Beached Oil Tar Balls along Florida’s First Coast

    OpenAIRE

    Peter Bacopoulos; James David Lambert; Mary Hertz; Luis Montoya; Terry Smith

    2014-01-01

    Anecdotal data are currently the best data available to describe baseline conditions of beached oil tar balls on Florida’s First Coast beaches. This study combines field methods and numerical modeling to define a data-driven knowledge base of oil tar ball baseline conditions. Outcomes from the field study include an established methodology for field data collection and laboratory testing of beached oil tar balls, spatial maps of collected samples and analysis of the data as to transport/wash-...

  20. Catalytic tar removal from biomass producer gas with secondary air

    Energy Technology Data Exchange (ETDEWEB)

    Lammers, G.; Beenackers, A.A.C.M. [University of Groningen (Netherlands). Dept. of Chemical Engineering; Corella, J. [Universidad Complutense, Madrid (Spain)

    1997-12-31

    The effect of air addition on biomass tar conversion in catalytic packed bed crackers was studied using both an isothermal micro reactor and a fluidised bed bench scale biomass gasification set up with down stream tar crackers. The micro reactor was applied for experiments with artificial biomass producer gas containing naphthalene as a model tar compound. Experiments were carried out with inert silica and catalytically active calcined dolomite bed material both with and without air addition. Experimental results with real tar from the fluidised bed bench scale gasification set up were in qualitative agreement with results from the micro reactor experiments. (author)

  1. Gasification of biomass in a fixed bed downdraft gasifier--a realistic model including tar.

    Science.gov (United States)

    Barman, Niladri Sekhar; Ghosh, Sudip; De, Sudipta

    2012-03-01

    This study presents a model for fixed bed downdraft biomass gasifiers considering tar also as one of the gasification products. A representative tar composition along with its mole fractions, as available in the literature was used as an input parameter within the model. The study used an equilibrium approach for the applicable gasification reactions and also considered possible deviations from equilibrium to further upgrade the equilibrium model to validate a range of reported experimental results. Heat balance was applied to predict the gasification temperature and the predicted values were compared with reported results in literature. A comparative study was made with some reference models available in the literature and also with experimental results reported in the literature. Finally a predicted variation of performance of the gasifier by this validated model for different air-fuel ratio and moisture content was also discussed. Copyright © 2011 Elsevier Ltd. All rights reserved.

  2. 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.

  3. Field and Model Study to Define Baseline Conditions of Beached Oil Tar Balls along Florida’s First Coast

    Directory of Open Access Journals (Sweden)

    Peter Bacopoulos

    2014-03-01

    Full Text Available Anecdotal data are currently the best data available to describe baseline conditions of beached oil tar balls on Florida’s First Coast beaches. This study combines field methods and numerical modeling to define a data-driven knowledge base of oil tar ball baseline conditions. Outcomes from the field study include an established methodology for field data collection and laboratory testing of beached oil tar balls, spatial maps of collected samples and analysis of the data as to transport/wash-up trends. Archives of the electronic data, including GPS locations and other informational tags, and collected samples are presented, as are the physical and chemical analyses of the collected samples. The thrust of the physical and chemical analyses is to differentiate the collected samples into highly suspect oil tar balls versus false/non-oil tar ball samples. The numerical modeling involves two-dimensional hydrodynamic simulations of astronomic tides. Results from the numerical modeling include velocity residuals that show ebb-dominated residual currents exiting the inlet via an offshore, counter-rotating dual-eddy system. The tidally derived residual currents are used as one explanation for the observed transport trends. The study concludes that the port activity in the St. Johns River is not majorly contributing to the baseline conditions of oil tar ball wash-up on Florida’s First Coast beaches.

  4. 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.

  5. Metal catalysts for steam reforming of tar derived from the gasification of lignocellulosic biomass.

    Science.gov (United States)

    Li, Dalin; Tamura, Masazumi; Nakagawa, Yoshinao; Tomishige, Keiichi

    2015-02-01

    Biomass gasification is one of the most important technologies for the conversion of biomass to electricity, fuels, and chemicals. The main obstacle preventing the commercial application of this technology is the presence of tar in the product gas. Catalytic reforming of tar appears a promising approach to remove tar and supported metal catalysts are among the most effective catalysts. Nevertheless, improvement of catalytic performances including activity, stability, resistance to coke deposition and aggregation of metal particles, as well as catalyst regenerability is greatly needed. This review focuses on the design and catalysis of supported metal catalysts for the removal of tar in the gasification of biomass. The recent development of metal catalysts including Rh, Ni, Co, and their alloys for steam reforming of biomass tar and tar model compounds is introduced. The role of metal species, support materials, promoters, and their interfaces is described. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. Prediction of tar ball formation

    International Nuclear Information System (INIS)

    Khelifa, A.; Gamble, L.

    2006-01-01

    The presence of small tar balls ranging in size from less than a millimetre to 60 centimetres have been observed during cleanup assessment operations following accidental oil spills on water. The tar balls are composed of heavy oil residues and suspended particulate matter (SPM) from the water column. They can be found on shorelines, settled on the seafloor and floating at or near the water surface. Their abundance on the shorelines varies from site to site and depends on the conditions of the spill and mixing conditions. Aggregation between SPM and micro-sized oil droplets occurs naturally in coastal waters and enhances the dispersion of spilled oil. Although tar balls are among the important end states of spilled oil in the marine environment, no model exists to estimate the percentage of the spilled oil that becomes tar balls. This paper offered some insight into the modeling of tar ball formation. Current modeling understanding of oil-SPM aggregate formation was used to predict tar ball formation. The formation of oil droplets was examined with respect to a range of conditions under which the formation of large droplets is expected. The role of aggregation was then presented to demonstrate the effects of concentration and type of SPM on the buoyancy of tar balls. Good agreement was found between modeling results and field data reported in the literature regarding the size and density of tar balls. Oil viscosity and mixing energy were found to be the main factors controlling the formation of tar balls. The aggregation of tar balls with SPM and shoreline material results in significant increases or decreases in density, depending on the type and concentration of SPM. 42 refs., 2 tabs., 6 figs

  7. 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...

  8. Volatilisation of aromatic hydrocarbons from coal-tar contaminated soil

    International Nuclear Information System (INIS)

    Lindhardt, B.

    1994-09-01

    A study of the non-steady-state volatilisation of organic compounds from coal tar contaminated soil. The observed fluxes from the laboratory experiments were compared with the fluxes predicted by a diffusion model assuming that the behaviour of the compounds was ideal. The diffusive release from unsaturated soil was measured in the laboratory from soil samples originating from a former gasworks site, as well as from soils spiked in the laboratory with a single model compound. The volatilisation from the surface of coal-tar contaminated soil was measured from four samples of sandy soils originating from the same site. The flux was quantified for eleven selected aromatic hydrocarbons. Volatilisation was measured from similar coal tar contaminated soil samples located below a 5 cm layer of uncontaminated and biologically inhibited soil with a an organic carbon content of 1.1% or 0.11%.monocyclic aromatic compounds. The study showed that the flux of volatile aromatic hydrocarbons,the monocyclic and the 2-ringed polycyclic aromatic hydrocarbons from coal tar contaminated soil can be estimated within one order of magnitude by a model concept which assumes that the diffusion of the compounds is independent of each other and the change in the composition of the coal tar during the experimental period can be ignored. ignored. It requires that the distribution coefficients between the coal tar contaminated soil and water are known. Where the contaminated soil resides below uncontaminated soil, degradation of the aromatic hydrocarbons can be expected if the cover layer is aerobic. The degradation will reduce the flux significantly after a period of adaption. (AB)

  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. Wet scrubbing of biomass producer gas tars using vegetable oil

    Science.gov (United States)

    Bhoi, Prakashbhai Ramabhai

    The overall aims of this research study were to generate novel design data and to develop an equilibrium stage-based thermodynamic model of a vegetable oil based wet scrubbing system for the removal of model tar compounds (benzene, toluene and ethylbenzene) found in biomass producer gas. The specific objectives were to design, fabricate and evaluate a vegetable oil based wet scrubbing system and to optimize the design and operating variables; i.e., packed bed height, vegetable oil type, solvent temperature, and solvent flow rate. The experimental wet packed bed scrubbing system includes a liquid distributor specifically designed to distribute a high viscous vegetable oil uniformly and a mixing section, which was designed to generate a desired concentration of tar compounds in a simulated air stream. A method and calibration protocol of gas chromatography/mass spectroscopy was developed to quantify tar compounds. Experimental data were analyzed statistically using analysis of variance (ANOVA) procedure. Statistical analysis showed that both soybean and canola oils are potential solvents, providing comparable removal efficiency of tar compounds. The experimental height equivalent to a theoretical plate (HETP) was determined as 0.11 m for vegetable oil based scrubbing system. Packed bed height and solvent temperature had highly significant effect (p0.05) effect on the removal of model tar compounds. The packing specific constants, Ch and CP,0, for the Billet and Schultes pressure drop correlation were determined as 2.52 and 2.93, respectively. The equilibrium stage based thermodynamic model predicted the removal efficiency of model tar compounds in the range of 1-6%, 1-4% and 1-2% of experimental data for benzene, toluene and ethylbenzene, respectively, for the solvent temperature of 30° C. The NRTL-PR property model and UNIFAC for estimating binary interaction parameters are recommended for modeling absorption of tar compounds in vegetable oils. Bench scale

  11. 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.

  12. 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.

  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. ANALYSIS OF COAL TAR COMPOSITIONS PRODUCED FROM SUB-BITUMINOUS KALIMANTAN COAL TAR

    OpenAIRE

    Dewi Selvia Fardhyanti; Astrilia Damayanti

    2016-01-01

    Coal tar is a liquid by-product of coal pyrolysis processes. This liquid oil mixture contains various kinds of useful compounds such as benzoic aromatic compounds and phenolic compounds. These compounds are widely used as raw material for insecticides, dyes, medicines, perfumes, coloring matters, and many others. The coal tar was collected by pyrolysis process of coal obtained from PT Kaltim Prima Coal and Arutmin-Kalimantan. The experiments typically occurred at the atmo...

  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. ANALYSIS OF COAL TAR COMPOSITIONS PRODUCED FROM SUB-BITUMINOUS KALIMANTAN COAL TAR

    Directory of Open Access Journals (Sweden)

    Dewi Selvia Fardhyanti

    2016-10-01

    Full Text Available Coal tar is a liquid by-product of coal pyrolysis processes. This liquid oil mixture contains various kind of useful compounds such as benzoic aromatic compounds and phenolic compounds. These compounds are widely used as raw material for insecticides, dyes, medicines, perfumes, coloring matters, and many others. The coal tar was collected by pyrolysis process of coal obtained from PT Kaltim Prima Coal and Arutmin-Kalimantan. The experiments typically occurred at the atmospheric pressure in a laboratory furnace at temperatures ranging from 300 to 550oC with a heating rate of 10oC/min and a holding time of 1 hour at the pyrolysis temperature. The Gas Chromatography-Mass Spectroscopy (GCMS was used to analyze the coal tar components. The obtained coal tar has the viscosity of 3.12 cp, the density of 2.78 g/cm3, the calorific value of 11,048.44 cal/g, and the molecular weight of 222.67. The analysis result showed that the coal tar contained more than 78 chemical compounds such as benzene, cresol, phenol, xylene, naphtalene, etc. The total phenolic compounds contained in coal tar is 33.25% (PT KPC and 17.58% (Arutmin-Kalimantan. The total naphtalene compounds contained in coal tar is 14.15% (PT KPC and 17.13% (ArutminKalimantan.

  18. Tar Management and Recycling in Biomass Gasification and Syngas Purification

    Science.gov (United States)

    McCaffrey, Zach

    Removal of tars is critical to the design and operation of biomass gasification systems as most syngas utilization processing equipment (e.g. internal combustion engines, gas turbines, fuel cells, and liquid fuel synthesis reactors) have a low tolerance for tar. Capturing and disposal of tar is expensive due to equipment costs, high hazardous waste disposal costs where direct uses cannot be found, and system energy losses incurred. Water scrubbing is an existing technique commonly used in gasification plants to remove contaminants and tar; however using water as the absorbent is non-ideal as tar compounds have low or no water solubility. Hydrophobic solvents can improve scrubber performance and this study evaluated tar solubility in selected solvents using slip-streams of untreated syngas from a laboratory fluidized bed reactor operated on almond composite feedstock using both air and steam gasification. Tar solubility was compared with Hansen's solubility theory to examine the extent to which the tar removal can be predicted. As collection of tar without utilization leads to a hazardous waste problem, the study investigated the effects of recycling tars back into the gasifier for destruction. Prior to experiments conducted on tar capture and recycle, characterizations of the air and steam gasification of the almond composite mix were made. This work aims to provide a better understanding of tar collection and solvent selection for wet scrubbers, and to provide information for designing improved tar management systems for biomass gasification.

  19. Conversion of tar in hot coke oven gas by pyrolysis and steam reforming

    Energy Technology Data Exchange (ETDEWEB)

    Miura, K.; Kawase, M.; Nakagawa, H.; Ashida, R.; Nakai, T.; Ishikawa, T. [Kyoto University, Kyoto (Japan). Dept. of Chemical Engineering

    2003-07-01

    Possibility to convert the tar vapor in the hot coke oven gas (COG) to a synthesis gas was investigated. Tar condensed from an actual COG as well as model compounds such as benzene, naphthalene, and pyrene were used as the reactants. Experiments of the pyrolysis and catalytic steam reforming of the tar in a helium, a steam, and a simulated COG atmospheres were carried out. More than 80% of tar could be decomposed in several seconds by pyrolysis at temperature {>=}to 1000{sup o}C. The coke yield reached 80% and the main gas products were methane and hydrogen. Coke deposition was reduced in the presence of steam by steam gasification of the coke. When the tar was pyrolyzed in the simulated COG, coke deposition from methane in addition to the deposition from the tar was observed at high temperature. The reverse shift reaction forming carbon monoxide and steam also occurred during the tar pyrolysis in the simulated COG. The coke formation was not reduced greatly even in the presence of the reforming catalysts.

  20. Effect of tar fractions from coal gasification on nickel-yttria stabilized zirconia and nickel-gadolinium doped ceria solid oxide fuel cell anode materials

    Science.gov (United States)

    Lorente, E.; Berrueco, C.; Millan, M.; Brandon, N. P.

    2013-11-01

    The allowable tar content in gasification syngas is one of the key questions for the exploitation of the full potential of fuel cell concepts with integrated gasification systems. A better understanding of the interaction between tars and the SOFC anodes which leads to carbon formation and deposition is needed in order to design systems where the extent of gas cleaning operations is minimized. Model tar compounds (toluene, benzene, naphthalene) have been used in experimental studies to represent those arising from biomass/coal gasification. However, the use of toluene as a model tar overestimates the negative impact of a real gasification tar on SOFC anode degradation associated with carbon formation. In the present work, the effect of a gasification tar and its distillation fractions on two commercially available fuel cell anodes, Ni/YSZ (yttria stabilized zirconia) and Ni/CGO (gadolinium doped ceria), is reported. A higher impact of the lighter tar fractions was observed, in terms of more carbon formation on the anodes, in comparison with the whole tar sample. The characterization of the recovered tars after contact with the anode materials revealed a shift towards a heavier molecular weight distribution, reinforcing the view that these fractions have reacted on the anode.

  1. Marine Tar Residues: a Review

    OpenAIRE

    Warnock, April M.; Hagen, Scott C.; Passeri, Davina L.

    2015-01-01

    Marine tar residues originate from natural and anthropogenic oil releases into the ocean environment and are formed after liquid petroleum is transformed by weathering, sedimentation, and other processes. Tar balls, tar mats, and tar patties are common examples of marine tar residues and can range in size from millimeters in diameter (tar balls) to several meters in length and width (tar mats). These residues can remain in the ocean environment indefinitely, decomposing or becoming buried in ...

  2. 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.

  3. 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

  4. Source investigation of the tar balls deposited along the Gujarat coast, India, using chemical fingerprinting and transport modeling techniques

    Digital Repository Service at National Institute of Oceanography (India)

    Suneel, V.; Vethamony, P.; Naik, B.G.; VinodKumar, K.; Sreenu, L.; Samiksha, S.V.; Tai,Y.; Sudheesh, K.

    Deposition of tar balls (TBs) along the south Gujarat coast, situated on the west coast of India (WCI), commonly occurs during the southwest monsoon season. Several offshore oil fields off the Mumbai-Gujarat coast, and refineries along the coast...

  5. 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.

  6. Evaluation of different oxygen carriers for biomass tar reforming

    DEFF Research Database (Denmark)

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

    2011-01-01

    This work is a continuation of a previous paper by the authors [1] which analyzed the suitability of the Chemical Looping technology in biomass tar reforming. Four different oxygen carriers were tested with toluene as tar model compound: 60% NiO/MgAl2O4 (Ni60), 40% NiO/NiAl2O4 (Ni40), 40% Mn3O4/Mg...... the amount of carbon deposited. The presence of CO2 could also decrease the carbon deposited on Ni40 at 1073K. According to both these and the previous results [1], it can be concluded that Mn40 is the most adequate for minimization of carbon deposition in Chemical Looping Reforming (CLR)....

  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. Tar remover poisoning

    Science.gov (United States)

    ... is used to get rid of tar, a dark oily material. This article discusses health problems that ... into the lungs, and breathing machine (ventilator) Bronchoscopy: camera down the throat to look for burns in ...

  9. Occurrence of Selected Pharmaceutical and Organic Wastewater Compounds in Effluent and Water Samples from Municipal Wastewater and Drinking-Water Treatment Facilities in the Tar and Cape Fear River Basins, North Carolina, 2003-2005

    Science.gov (United States)

    Ferrell, G.M.

    2009-01-01

    Samples of treated effluent and treated and untreated water were collected at 20 municipal wastewater and drinkingwater treatment facilities in the Tar and Cape Fear River basins of North Carolina during 2003 and 2005. The samples were analyzed for a variety of prescription and nonprescription pharmaceutical compounds and a suite of organic compounds considered indicative of wastewater. Concentrations of these compounds generally were less than or near the detection limits of the analytical methods used during this investigation. None of these compounds were detected at concentrations that exceeded drinking-water standards established by the U.S. Environmental Protection Agency. Bromoform, a disinfection byproduct, was the only compound detected at a concentration that exceeded regulatory guidelines. The concentration of bromoform in one finished drinking-water sample, 26 micrograms per liter, exceeded North Carolina water-quality criteria. Drinking-water treatment practices were effective at removing many of the compounds detected in untreated water. Disinfection processes used in wastewater treatment - chlorination or irradiation with ultraviolet light - did not seem to substantially degrade the organic compounds evaluated during this study.

  10. sTarPicker: a method for efficient prediction of bacterial sRNA targets based on a two-step model for hybridization.

    Directory of Open Access Journals (Sweden)

    Xiaomin Ying

    Full Text Available BACKGROUND: Bacterial sRNAs are a class of small regulatory RNAs involved in regulation of expression of a variety of genes. Most sRNAs act in trans via base-pairing with target mRNAs, leading to repression or activation of translation or mRNA degradation. To date, more than 1,000 sRNAs have been identified. However, direct targets have been identified for only approximately 50 of these sRNAs. Computational predictions can provide candidates for target validation, thereby increasing the speed of sRNA target identification. Although several methods have been developed, target prediction for bacterial sRNAs remains challenging. RESULTS: Here, we propose a novel method for sRNA target prediction, termed sTarPicker, which was based on a two-step model for hybridization between an sRNA and an mRNA target. This method first selects stable duplexes after screening all possible duplexes between the sRNA and the potential mRNA target. Next, hybridization between the sRNA and the target is extended to span the entire binding site. Finally, quantitative predictions are produced with an ensemble classifier generated using machine-learning methods. In calculations to determine the hybridization energies of seed regions and binding regions, both thermodynamic stability and site accessibility of the sRNAs and targets were considered. Comparisons with the existing methods showed that sTarPicker performed best in both performance of target prediction and accuracy of the predicted binding sites. CONCLUSIONS: sTarPicker can predict bacterial sRNA targets with higher efficiency and determine the exact locations of the interactions with a higher accuracy than competing programs. sTarPicker is available at http://ccb.bmi.ac.cn/starpicker/.

  11. 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.

  12. 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

  13. 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

  14. 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...

  15. Modelling of Cavitation of Wash-Out Water, Ammonia Water, Ammonia Water with Increased Content Ammonia and Hydrogen Sulphide, Tar Condensate

    Directory of Open Access Journals (Sweden)

    Josef DOBEŠ

    2013-12-01

    Full Text Available The aim is to design and implement a procedure of numerical modelling of cavitation of working mixtures: wash-out water, ammonia water, ammonia water with an increased content of hydrogen sulphide and ammonia, tar condensate. The numeric modelling is designed in the program Ansys Fluent using Schnerr-Sauer cavitation model. The issue of these liquids modelling can be solved by the cavitation simulation of water admixtures. Working fluids contain the following main ingredients: water, ammonia, carbon dioxide and hydrogen sulphide. Subsequently, a comparison of the amount of water vapor (reference liquid and given fluid vapor is executed. The Schnerr-Sauer model is chosen because of good results in previous simulations for water cavitation. As a geometry is selected Laval nozzle. Modelled liquid mixtures are used in the petrochemical industry, as a filling for fluid circuits where cavitation may occur and therefore the research is needed.

  16. Marine Tar Residues: a Review.

    Science.gov (United States)

    Warnock, April M; Hagen, Scott C; Passeri, Davina L

    Marine tar residues originate from natural and anthropogenic oil releases into the ocean environment and are formed after liquid petroleum is transformed by weathering, sedimentation, and other processes. Tar balls, tar mats, and tar patties are common examples of marine tar residues and can range in size from millimeters in diameter (tar balls) to several meters in length and width (tar mats). These residues can remain in the ocean environment indefinitely, decomposing or becoming buried in the sea floor. However, in many cases, they are transported ashore via currents and waves where they pose a concern to coastal recreation activities, the seafood industry and may have negative effects on wildlife. This review summarizes the current state of knowledge on marine tar residue formation, transport, degradation, and distribution. Methods of detection and removal of marine tar residues and their possible ecological effects are discussed, in addition to topics of marine tar research that warrant further investigation. Emphasis is placed on benthic tar residues, with a focus on the remnants of the Deepwater Horizon oil spill in particular, which are still affecting the northern Gulf of Mexico shores years after the leaking submarine well was capped.

  17. 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

  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. 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.)

  20. 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.

  1. 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)

  2. 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.

  3. Atmospheric tar balls: Particles from biomass and biofuel burning

    Science.gov (United States)

    Pósfai, MiháLy; GelencséR, AndráS.; Simonics, RenáTa; Arató, Krisztina; Li, Jia; Hobbs, Peter V.; Buseck, Peter R.

    2004-03-01

    "Tar balls" are amorphous, carbonaceous spherules that occur in the tropospheric aerosol as a result of biomass and biofuel burning. They form a distinct group of particles with diameters typically between 30 and 500 nm and readily identifiable with electron microscopy. Their lack of a turbostratic microstructure distinguishes them from soot, and their morphology and composition (˜90 mol % carbon) renders them distinct from other carbonaceous particles. Tar balls are particularly abundant in slightly aged (minutes to hours old) biomass smoke, indicating that they likely form by gas-to-particle conversion within smoke plumes. The material of tar balls is initially hygroscopic; however, the particles become largely insoluble as a result of free radical polymerization of their organic molecules. Consequently, tar balls are primarily externally mixed with other particle types, and they do not appreciably increase in size during aging. When tar balls coagulate with water-bearing particles, their material may partly dissolve and no longer be recognizable as distinct particles. Tar balls may contain organic compounds that absorb sunlight. They are an important, previously unrecognized type of carbonaceous (organic) atmospheric particle.

  4. 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...... at a wavelength less than 340 nm at which both tar and non-tar elements absorb. This measurement is compensated for non-tar absorption by means of a second measurement at a wavelength equal to or greater than 340 nm at which tar does not absorb. From the non-tar compensated absorbance value a measure of tar...... in the tar environment is derived and an air intake in the tar environment is regulated based on the measure of tar....

  5. 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

  6. using stereochemistry models in teaching organic compounds

    African Journals Online (AJOL)

    Preferred Customer

    (Stereochemistry Model); the treatment had significant effect: students taught using. Stereochemistry Models ... ISSN 2227-5835. 93. Apart from the heavy conceptual demand on the memory capacity required of the ..... colors and sizes compared with the sketches on the chart that appear to be mock forms of the compounds.

  7. 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...... deposition compared to Mn40, specially at high temperatures. Carbon deposition could be controlled by decreasing the temperature and the time for the reduction step. The addition of water also reduced the amount of carbon deposited, which was completely avoided working with a H2O/C7H8 molar ratio of 26.4....

  8. Synthesis and evaluation of novel biochar-based and metal oxide-based catalysts for removal of model tar (toluene), ammonia, and hydrogen sulfide from simulated producer gas

    Science.gov (United States)

    Bhandari, Pushpak

    Gasification is a thermochemical conversion process in which carbonaceous feedstock is gasified in a controlled atmosphere to generate producer gas. The producer gas is used for production of heat, power, fuels and chemicals. Various contaminants such as tars, NH3, and H2S in producer gas possess many problems due to their corrosive nature and their ability to clog and deactivate catalysts. In this study, several catalysts were synthesized, characterized, and tested for removal of three contaminants (toluene (model tar), NH3, and H2S) from the biomass-generated producer gas. Biochar, a catalyst, was generated from gasification of switchgrass. Activated carbon and acidic surface activated carbon were synthesized using ultrasonication method from biochar. Acidic surface was synthesized by coating activated carbon with dilute acid. Mixed metal oxide catalysts were synthesized from hydrotalcite precursors using novel synthesis technique using microwave and ultrasonication. Surface area of activated carbon (˜900 m2/g) was significantly higher than that of its precursor biochar (˜60 m2/g). Surface area of metal oxide catalyst was approximately 180 m2/g after calcination. Biochar, activated carbon, and acidic surface activated carbon showed toluene removal efficiencies of approximately 78, 88, and 88 %, respectively, when the catalysts were tested individually with toluene in the presence of producer gas at 800 °C. The toluene removal efficiencies increased to 86, 91, and 97 % using biochar, activated carbon and acidic surface activated carbon, respectively in the presence of NH3 and H2S in the producer gas. Increase in toluene removal efficiencies in presence of NH3 and H2S indicates that NH3 and H 2S play a role in toluene reforming reactions during simultaneous removal of contaminants. Toluene removal efficiency for mixed metal oxide was approximately 83%. Ammonia adsorption capacities were 0.008 g NH3/g catalyst for biochar and 0.03g NH3/g catalyst for activated

  9. 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...

  10. 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.

  11. 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

  12. 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

  13. Migration and natural fate of a coal tar creosote plume (phenol, naphthalene, phenanthrene, carbazole, biodegradation)

    International Nuclear Information System (INIS)

    King, M.W.G.

    1997-01-01

    A study was conducted at CFB Borden to examine the natural attenuation processes for complex biodegradable mixtures. A volume of sand containing coal tar creosote was emplaced below the water table. Phenol, m-xylene, naphthalene, phananthree, 1-methylnaphthalene, dibenzofuran and carbazole were the seven compounds chosen for a detailed study over a four year period. Movement of groundwater through the source led to the development of a dissolved organic plume. The study revealed that compounds from the same source showed very different patterns of plume development. The plume development for each of the seven compounds was described. Mass transformation was a major influence on plume behaviour for all observed compounds. Computer models were used to confirm the observations

  14. 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.

  15. 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.

  16. Impact of Asphaltenes and Resins on the Wetting Characteristics of Tars at Former Manufactured Gas Plants

    Science.gov (United States)

    Hauswirth, S. C.; Birak, P. S.; Rylander, S.; Pedit, J. A.; Miller, C. T.

    2008-12-01

    Tars produced as a byproduct of coal and oil gasification at manufactured gas plants (MGPs) during the 19th and early 20th centuries were often released into the environment through poor disposal practices or leaks in holding tanks and piping. These tars are persistent contaminants, leaching polycyclic aromatic hydrocarbons (PAHs) into groundwater and posing a significant risk to human and ecological health. MGP tars also have several properties that make them notoriously difficult to remediate. They are denser than water, so they can migrate to depths which make direct removal difficult or impossible, and their relatively high viscosities and ability to alter the wetting characteristics of porous media result in inefficient removal by traditional pump-and-treat methods. In this study, we investigate the last of these properties. Previous studies have linked wetting changes to asphaltenes---polar, high molecular weight compounds present in the tars. However, we have conducted qualitative bottle tests for tar samples collected from two former MGPs which indicate that there is no direct correlation between asphaltene concentration and the tendency to alter wetting characteristics of porous media. To better understand the factors controlling wetting behavior, we isolate asphaltenes and resins, another class of polar compounds, from a tar sample and recombine them with the remaining PAH mixture to create a series of tars of varying composition. We assess the relative impact of each of the fractions on wettability through contact angle measurements conducted at three different pHs.

  17. 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

  18. 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.

  19. Tar ball Monitoring Along the Kenyan Beaches.

    OpenAIRE

    Nguta, M.

    1993-01-01

    Observations and measurements of petroleum tar balls on a number of Kenyan beaches were carried out between 1979 and 1982. A large variation in the size and amount of tar deposit at the beaches was recorded. These values ranged from very small pebbles to large lumps of 30 cm in diameter, weighing up to 1.5 kg. The average tar loading during the sampling period ranged from 0-18 g/m2. Between 25-50% by weight of the tar lumps were shell fragments, sand and other nonpetroleum debris. The chemica...

  20. 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

  1. 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.

  2. Upgrading producer gas quality from rubber wood gasification in a radio frequency tar thermocatalytic treatment reactor.

    Science.gov (United States)

    Anis, Samsudin; Zainal, Z A

    2013-12-01

    This study focused on improving the producer gas quality using radio frequency (RF) tar thermocatalytic treatment reactor. The producer gas containing tar, particles and water was directly passed at a particular flow rate into the RF reactor at various temperatures for catalytic and thermal treatments. Thermal treatment generates higher heating value of 5.76 MJ Nm(-3) at 1200°C. Catalytic treatments using both dolomite and Y-zeolite provide high tar and particles conversion efficiencies of about 97% on average. The result also showed that light poly-aromatic hydrocarbons especially naphthalene and aromatic compounds particularly benzene and toluene were still found even at higher reaction temperatures. Low energy intensive RF tar thermocatalytic treatment was found to be effective for upgrading the producer gas quality to meet the end user requirements and increasing its energy content. Copyright © 2013 Elsevier Ltd. All rights reserved.

  3. 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.

  4. An assessment of high and low temperature tars in Psoriasis.

    Science.gov (United States)

    Chapman, R S; Finn, O A

    1976-01-01

    Comparison of the efficacy of crude coal tar from high and low temperature sources in the treatment of patients suffering from chronic psoriasis showed the tars to be equally effective. High temperature tar was then compared with standard refined tar. Again, an equal therapeutic response was achieved. Crude coal tars obtained by the carbonization of coal in coke ovens and in smokeless fuel manufacture can be employed in dermatological therapy in place of the dwindling supplies of crude tar of gasworks origin.

  5. Sydney Tar Ponds Remediation: Experience to China

    Science.gov (United States)

    Liu, Fan; Bryson, Ken A.

    2009-01-01

    The infamous "Sydney Tar Ponds" are well known as one of the largest toxic waste sites of Canada, due to almost 100 years of steelmaking in Sydney, a once beautiful and peaceful city located on the east side of Cape Breton Island, Nova Scotia. This article begins with a contextual overview of the Tar Ponds issue including a brief…

  6. Commentary: Human papillomavirus and tar hypothesis for ...

    Indian Academy of Sciences (India)

    2010-08-09

    Aug 9, 2010 ... Commentary: Human papillomavirus and tar hypothesis for squamous cell cervical cancer. Christina Bennett Allen E Kuhn Harry W Haverkos. Volume 35 Issue 3 September 2010 pp ... Keywords. Cervical cancer; co-factors; human papillomavirus; tar-based vaginal douche; tobacco smoke; wood smoke ...

  7. A novel LCD (coal tar) solution for psoriasis does not discolor naturally light or color-processed hair in an exaggerated exposure test model.

    Science.gov (United States)

    Johnson, Colleen; Edison, Brenda; Brouda, Irina; Green, Barbara

    2009-09-01

    Scalp psoriasis is reported to occur in 50-80% of psoriasis sufferers. Treatment of scalp psoriasis requires special consideration of product esthetics and staining potential due to the presence of hair. To evaluate the potential of a new, marketed liquor carbonis distillate (LCD; coal tar) solution to discolor naturally light or color-processed hair under exaggerated exposure conditions. Samples of naturally light and color-processed hair from a single donor were exposed to LCD solution repeatedly over 14 days and via submergence for 24 h. Color of LCD-treated hair samples was compared with untreated control hair samples. LCD solution did not discolor naturally light or color-processed hair following repeated exposures and 24 h submergence. The marketed LCD solution does not appear to discolor naturally light or color-processed hair.

  8. High temperature transformation of tar-asphaltene components of oil sand bitumen

    Directory of Open Access Journals (Sweden)

    Imanbayev Yerzhan

    2017-01-01

    Full Text Available Transformations of high-molecular-weight compounds of oil sand natural bitumen under the heat treatment were studied in this work. For that purpose the natural bitumen isolated from oil sand taken from the Beke field (Kazakhstan was used as a substrate. Thermal processing of natural bitumen leads to a general change in the chemical composition of components and to an increase in the output of certain fractions. The contents of oil, tar and asphaltenes were determined and the elemental composition of tar-asphaltene compounds was evaluated. Molecular structures of the tar and asphaltene components of natural bitumen before and after cracking have been defined from the data of elemental analysis, NMR spectroscopy and molecular weight. The high molecular compounds were presented as giant molecules containing small aromatic islands some of which were linked by aliphatic chains, that was proved by infrared spectroscopy.

  9. 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

  10. Chemical structure of asphaltenes of tar semicoked from Kansk-Achinsk lignite

    Energy Technology Data Exchange (ETDEWEB)

    Platanov, V.V.; Proskuryakov, V.A.; Klyavina, O.A. [Ln Tolstoi Tula State Pedagogical Institute, Tula (Russian Federation)

    1994-03-01

    The chemical structure has been studied of asphaltenes of tar semicoked from Kansk-Achinsk lignite and recovered at a temperature less than or equal to 350{degree}C. Asphaltenes have been found to be a complete mixture of aromatic, alicyclic, hydroaromatic, and heterocyclic compounds substituted by alkyl chains and various functional groups. A number of asphaltene compounds originate from steroids and triterpanes, which widely occur in lipid and tar fractions of plants and in the metabolites of microbes. A procedure based on adsorptive liquid chromatography has been developed to separate asphaltenes into a great number of eluates with considerably differing structural parameters and functional compositions.

  11. Pulse dipolar ESR of doubly labeled mini TAR DNA and its annealing to mini TAR RNA.

    Science.gov (United States)

    Sun, Yan; Borbat, Peter P; Grigoryants, Vladimir M; Myers, William K; Freed, Jack H; Scholes, Charles P

    2015-02-17

    Pulse dipolar electron-spin resonance in the form of double electron electron resonance was applied to strategically placed, site-specifically attached pairs of nitroxide spin labels to monitor changes in the mini TAR DNA stem-loop structure brought on by the HIV-1 nucleocapsid protein NCp7. The biophysical structural evidence was at Ångstrom-level resolution under solution conditions not amenable to crystallography or NMR. In the absence of complementary TAR RNA, double labels located in both the upper and the lower stem of mini TAR DNA showed in the presence of NCp7 a broadened distance distribution between the points of attachment, and there was evidence for several conformers. Next, when equimolar amounts of mini TAR DNA and complementary mini TAR RNA were present, NCp7 enhanced the annealing of their stem-loop structures to form duplex DNA-RNA. When duplex TAR DNA-TAR RNA formed, double labels initially located 27.5 Å apart at the 3'- and 5'-termini of the 27-base mini TAR DNA relocated to opposite ends of a 27 bp RNA-DNA duplex with 76.5 Å between labels, a distance which was consistent with the distance between the two labels in a thermally annealed 27-bp TAR DNA-TAR RNA duplex. Different sets of double labels initially located 26-27 Å apart in the mini TAR DNA upper stem, appropriately altered their interlabel distance to ~35 Å when a 27 bp TAR DNA-TAR RNA duplex formed, where the formation was caused either through NCp7-induced annealing or by thermal annealing. In summary, clear structural evidence was obtained for the fraying and destabilization brought on by NCp7 in its biochemical function as an annealing agent and for the detailed structural change from stem-loop to duplex RNA-DNA when complementary RNA was present. Copyright © 2015 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  12. Catalytic Tar Reduction for Assistance in Thermal Conversion of Space Waste for Energy Production

    Science.gov (United States)

    Caraccio, Anne Joan; Devor, Robert William; Hintze, Paul E.; Muscatello, Anthony C.; Nur, Mononita

    2014-01-01

    The Trash to Gas (TtG) project investigates technologies for converting waste generated during spaceflight into various resources. One of these technologies was gasification, which employed a downdraft reactor designed and manufactured at NASA's Kennedy Space Center (KSC) for the conversion of simulated space trash to carbon dioxide. The carbon dioxide would then be converted to methane for propulsion and water for life support systems. A minor byproduct of gasification includes large hydrocarbons, also known as tars. Tars are unwanted byproducts that add contamination to the product stream, clog the reactor and cause complications in analysis instrumentation. The objective of this research was to perform reduction studies of a mock tar using select catalysts and choose the most effective for primary treatment within the KSC downdraft gasification reactor. Because the KSC reactor is operated at temperatures below typical gasification reactors, this study evaluates catalyst performance below recommended catalytic operating temperatures. The tar reduction experimentation was observed by passing a model tar vapor stream over the catalysts at similar conditions to that of the KSC reactor. Reduction in tar was determined using gas chromatography. Tar reduction efficiency and catalyst performances were evaluated at different temperatures.

  13. 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.

  14. Wood adhesives from Eucalyptus tar and creosote

    OpenAIRE

    Pimenta, AS; Vital, BR; Fujiwara, FY

    1997-01-01

    This study has shown that Eucalyptus tar and creosote can be used in phenolic adhesive formulations (resols) for wood products bonding. Some adhesives were prepared substituting 0; 17.7; 35.0 and 67.0% of the phenol by anhydrous tar and 0; 15.0 e 28.5% by creosote. In gluing Brazilian pine veneers, eucalypt tar and creosote based adhesives required longer pressing times for curing than conventional phenol-formaldehyde adhesives. By using C-13 NMR, the number of carbons in side chains and hydr...

  15. 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 ...

  16. 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 13 C 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

  17. 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.

  18. 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.)

  19. Laboratory evaluation of selected tar sand asphalts

    Energy Technology Data Exchange (ETDEWEB)

    Button, J.W.; Epps, J.A.; Gallaway, B.M.

    1980-12-01

    Three tar sand asphalts of similar grades prepared from one syncrude by three different refining methods were characterized by tests commonly used to specify paving asphalts together with certain special tests. Asphalt-aggregate mixtures were prepared using these asphalts and tested in the laboratory to determine strength stiffness stability, tensile properties, temperature effects and water susceptibility. Comparison of the tar sand asphalt properties to conventional petroleum asphalt properties reveal no striking differences.

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

    Science.gov (United States)

    Kumar, M; Khanna, S

    2010-04-01

    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 122.5 mg g(-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 [2Fe-2S] 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. The combination of the Rieske primers and bacterial community profiling represents a powerful tool for both assessing bioremediation potential and the exploration of novel dioxygenase genes in a contaminated environment.

  2. 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.

  3. Reverse Osmosis Processing of Organic Model Compounds and Fermentation Broths

    Science.gov (United States)

    2006-04-01

    key species found in the fermentation broth: ethanol, butanol, acetic acid, oxalic acid, lactic acid, and butyric acid. Correlations of the rejection...AFRL-ML-TY-TP-2007-4545 POSTPRINT REVERSE OSMOSIS PROCESSING OF ORGANIC MODEL COMPOUNDS AND FERMENTATION BROTHS Robert Diltz...TELEPHONE NUMBER (Include area code) Bioresource Technology 98 (2007) 686–695Reverse osmosis processing of organic model compounds and fermentation broths

  4. Brown carbon in tar balls from smoldering biomass combustion

    Science.gov (United States)

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

    2010-07-01

    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 Ångström coefficients (AAC) indicate that a class of light absorbing organic carbon (OC) with wavelength dependent imaginary part of its refractive index - optically defined as "brown carbon" - is an important component of tar balls. The spectrum of the imaginary parts of their complex refractive indices can be described with a Lorentzian-like model with an effective resonance wavelength in the ultraviolet (UV) spectral region. Sensitivity calculations for aerosols containing traditional OC (no absorption at visible and UV wavelengths) and brown carbon suggest that accounting for near-UV absorption by brown carbon leads to an increase in aerosol radiative forcing efficiency and increased light absorption. Since particles from smoldering combustion account for nearly three-fourths of the total carbonaceous aerosol mass emitted globally, inclusion of the optical properties of tar balls into radiative forcing models has significance for the Earth's radiation budget, optical remote sensing, and understanding of anomalous UV absorption in the troposphere.

  5. Brown carbon in tar balls from smoldering biomass combustion

    Directory of Open Access Journals (Sweden)

    R. K. Chakrabarty

    2010-07-01

    Full Text Available 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 Ångström coefficients (AAC indicate that a class of light absorbing organic carbon (OC with wavelength dependent imaginary part of its refractive index – optically defined as "brown carbon" – is an important component of tar balls. The spectrum of the imaginary parts of their complex refractive indices can be described with a Lorentzian-like model with an effective resonance wavelength in the ultraviolet (UV spectral region. Sensitivity calculations for aerosols containing traditional OC (no absorption at visible and UV wavelengths and brown carbon suggest that accounting for near-UV absorption by brown carbon leads to an increase in aerosol radiative forcing efficiency and increased light absorption. Since particles from smoldering combustion account for nearly three-fourths of the total carbonaceous aerosol mass emitted globally, inclusion of the optical properties of tar balls into radiative forcing models has significance for the Earth's radiation budget, optical remote sensing, and understanding of anomalous UV absorption in the troposphere.

  6. Genetic relation of adamantanes from extracts and semicoking tars of lignites with the initial biological material

    Energy Technology Data Exchange (ETDEWEB)

    Platonov, V.V.; Shvykin, A.Y.; Proskuryakov, V.A.; Podshibyakin, S.I. [Lev Tolstoi State Pedagogical University, Tula (Russian Federation)

    1999-11-01

    A genetic relation was revealed of adamantanes from extracts and semicoking tars of lignites with the relic terpenoid and steroid compounds. Probable pathways are suggested for transformation of the initial natural structures into adamantanes. The qualitative and quantitative compositions of adamantanes from crude oil and coal are compared.

  7. Integrated Biomass Gasification with Catalytic Partial Oxidation for Selective Tar Conversion

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lingzhi; Wei, Wei; Manke, Jeff; Vazquez, Arturo; Thompson, Jeff; Thompson, Mark

    2011-05-28

    Biomass gasification is a flexible and efficient way of utilizing widely available domestic renewable resources. Syngas from biomass has the potential for biofuels production, which will enhance energy security and environmental benefits. Additionally, with the successful development of low Btu fuel engines (e.g. GE Jenbacher engines), syngas from biomass can be efficiently used for power/heat co-generation. However, biomass gasification has not been widely commercialized because of a number of technical/economic issues related to gasifier design and syngas cleanup. Biomass gasification, due to its scale limitation, cannot afford to use pure oxygen as the gasification agent that used in coal gasification. Because, it uses air instead of oxygen, the biomass gasification temperature is much lower than well-understood coal gasification. The low temperature leads to a lot of tar formation and the tar can gum up the downstream equipment. Thus, the biomass gasification tar removal is a critical technology challenge for all types of biomass gasifiers. This USDA/DOE funded program (award number: DE-FG36-O8GO18085) aims to develop an advanced catalytic tar conversion system that can economically and efficiently convert tar into useful light gases (such as syngas) for downstream fuel synthesis or power generation. This program has been executed by GE Global Research in Irvine, CA, in collaboration with Professor Lanny Schmidt's group at the University of Minnesota (UoMn). Biomass gasification produces a raw syngas stream containing H2, CO, CO2, H2O, CH4 and other hydrocarbons, tars, char, and ash. Tars are defined as organic compounds that are condensable at room temperature and are assumed to be largely aromatic. Downstream units in biomass gasification such as gas engine, turbine or fuel synthesis reactors require stringent control in syngas quality, especially tar content to avoid plugging (gum) of downstream equipment. Tar- and ash-free syngas streams are a critical

  8. 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

  9. 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.

  10. Research into the group composition of tar using the gas liquid chromatography method

    Energy Technology Data Exchange (ETDEWEB)

    Lisin, S.N.; Stepanov, Yu.V.; Lisina, L.A.; Chistyakov, A.N.

    1986-03-01

    This paper first gives a brief review of current methods used for determining chemical composition of tars, then describes experiments using gas liquid chromatography (GLC) to determine the chemical composition of delta/sub 1/, delta/sub 2/, delta, and delta fractions of medium temperature tars obtained during normal solvent processing (isooctane, toluene, quinoline). For delta and delta fractions, a Tsvet-104 chromatograph was used with a flame-ionization detector under the following conditions: column height 3 m, diameter 3 mm, AW-HMDS filler, 0.25-0.36 mm fractions with 5% SE-30, linear column temperature increase from 50-310/sup 0/C, velocity 6 C/min, condenser temperature 350/sup 0/C, velocity of carrier gas (helium) and hydrogen 100 ml/min, air consumption 1.5 l/min. delta/sub 1/ and delta/sub 2/ fractions were determined using a GC-IC chromatograph (manufactured by Shimatsu) under conditions analogous to those given above. Conclusion is that the yield of chromatographable compounds from tar by the GLC method with temperature programming is practically constant for each tar and can be characterized by the delta fraction content and its chemical composition. A method of determining the group composition of tars and the chemical composition of the delta fraction using GLC is proposed. 13 refs.

  11. 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.

  12. 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.

  13. 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...... in a finite sample framework. The simulation studies are also used to validate the fitting algorithms and check the computational implementation. Furthermore, we investigate the impact of an unsuitable choice for the response variable distribution on both mean and dispersion parameter estimates. We provide R...... implementation and illustrate the application of double generalized linear compound Poisson models using a data set about car insurances....

  14. Natural attenuation of coal tar organics in groundwater

    International Nuclear Information System (INIS)

    King, M.W.G.; Barker, J.F.; Hamilton, K.A.

    1995-01-01

    A volume of sand containing residual coal tar creosote was emplaced below the water table under controlled field conditions to investigate natural attenuation processes for selected creosote compounds. Movement of groundwater through the source has led to the development of a complex dissolved organic plume, which has been monitored in detail for more than 1,000 days. During this period, several distinct types of behavior were evident for the monitored compounds. The m-xylene plume reached a maximum extent and has started to recede, while the naphthalene plume continues to migrate further from the source. Indications are that the dibenzofuran plume is at steady state, with no additional advancement and little change in plume mass over a 1-year period

  15. Tar removal from low-temperature gasifiers

    Energy Technology Data Exchange (ETDEWEB)

    Zwart, R.W.R. [ECN Biomass, Petten (Netherlands); Van der Heijden, Simon; Emmen, R. [Dahlman, Maassluis (Netherlands); Dall Bentzen, Jens [Dall Energy, Hoersholm (Denmark); Ahrenfeldt, Jesper [Risoe DTU, Roskilde (Denmark); Stoholm, Peder [DFBT, Roskilde (Denmark); Krogh, Jorn [Anhydro, Soeborg (Denmark)

    2010-05-15

    In the title project two gas cleaning technologies are adapted and tested in connection to low-temperature gasification. These concern the OLGA tar removal technology developed by the Dutch partners in the project and the cooling, filtration and partial oxidation developed by the Danish partners in the project. This project aimed at judging the technical and economical suitability of two up-scalable tar removal methods (OLGA and Partial Oxidation) connected to high-efficiency low-temperature gasification. Suitability opens the way to high efficient and high fuel flexible biomass gasification systems for the connection to gas engines, gas turbines, fuel cells or catalytic synthesis gas reactors.

  16. Natural attenuation of a plume from an emplaced coal tar creosote source over 14 years

    Science.gov (United States)

    Fraser, M.; Barker, J. F.; Butler, B.; Blaine, F.; Joseph, S.; Cooke, C.

    2008-09-01

    An emplaced source of coal tar creosote within the sandy Borden research aquifer has documented the long-term (5140 days) natural attenuation for this complex mixture. Plumes of dissolved chemicals were produced by the essentially horizontal groundwater flowing at about 9 cm/day. Eleven chemicals have been extensively sampled seven times using a monitoring network of ˜ 280, 14-point multilevel samplers. A model of source dissolution using Raoult's Law adequately predicted the dissolution of 9 of 11 compounds. Mass transformation has limited the extent of the plumes as groundwater has flowed more than 500 m, yet the plumes are no longer than 50 m. Phenol and xylenes have been removed and naphthalene has attenuated from its maximum extent on day 1357. Some compound plumes have reached an apparent steady state and the plumes of other compounds (dibenzofuran and phenanthrene) are expected to continue to expand due to an increasing mass flux and limited degradation potential. Biotransformation is the major process controlling natural attenuation at the site. The greatest organic mass lost is associated with the high solubility compounds. However, the majority of the mass loss for most compounds has occurred in the source zone. Oxygen is the main electron acceptor, yet the amount of organics lost cannot be accounted for by aerobic mineralization or partial mineralization alone. The complex evolution of these plumes has been well documented but understanding the controlling biotransformation processes is still elusive. This study has shown that anticipating bioattenuation patterns should only be considered at the broadest scale. Generally, the greatest mass loss is associated with those compounds that have a high solubility and low partitioning coefficients.

  17. Pulse Dipolar ESR of Doubly Labeled Mini TAR DNA and Its Annealing to Mini TAR RNA

    OpenAIRE

    Sun, Yan; Borbat, Peter P.; Grigoryants, Vladimir M.; Myers, William K.; Freed, Jack H.; Scholes, Charles P.

    2015-01-01

    Pulse dipolar electron-spin resonance in the form of double electron electron resonance was applied to strategically placed, site-specifically attached pairs of nitroxide spin labels to monitor changes in the mini TAR DNA stem-loop structure brought on by the HIV-1 nucleocapsid protein NCp7. The biophysical structural evidence was at Ångstrom-level resolution under solution conditions not amenable to crystallography or NMR. In the absence of complementary TAR RNA, double labels located in bot...

  18. Modeling complex diffusion mechanisms in L12-structured compounds

    International Nuclear Information System (INIS)

    Zacate, M. O.; Lape, M.; Stufflebeam, M.; Evenson, W. E.

    2010-01-01

    We report on a procedure developed to create stochastic models of hyperfine interactions for complex diffusion mechanisms and demonstrate its application to simulate perturbed angular correlation spectra for the divacancy and 6-jump cycle diffusion mechanisms in L1 2 -structured compounds.

  19. Modeling complex diffusion mechanisms in L1 2 -structured compounds

    Science.gov (United States)

    Zacate, M. O.; Lape, M.; Stufflebeam, M.; Evenson, W. E.

    2010-04-01

    We report on a procedure developed to create stochastic models of hyperfine interactions for complex diffusion mechanisms and demonstrate its application to simulate perturbed angular correlation spectra for the divacancy and 6-jump cycle diffusion mechanisms in L12-structured compounds.

  20. Analysis of inelastic neutron scattering results on model compounds ...

    Indian Academy of Sciences (India)

    J Tomkinson heterobicyclic molecules could form a reasonable base of model compounds to un- derstand the eigenvectors of one interesting molecular system; the nitrogenous het- erocyclic bases of the nucleotides. Low energy molecular vibrational eigenvectors involve atomic displacements over the molecule as a whole ...

  1. 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...

  2. 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.

  3. Fate modelling of chemical compounds with incomplete data sets

    DEFF Research Database (Denmark)

    Birkved, Morten; Heijungs, Reinout

    2011-01-01

    , and to provide simplified proxies for the more complicated “real”model relationships. In the presented study two approaches for the reduction of the data demand associated with characterization of chemical emissions in USEtoxTM are tested: The first approach yields a simplified set of mode of entry specific meta......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...

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. Diffusion properties of model compounds in artificial sebum.

    Science.gov (United States)

    Valiveti, Satyanarayana; Lu, Guang Wei

    2007-12-10

    Sebaceous glands secrete an oily sebum into the hair follicle. Hence, it is necessary to understand the drug partition and diffusion properties in the sebum for the targeted delivery of therapeutic agents into the sebum-filled hair follicle. A new method was developed and used for determination of sebum flux of topical therapeutic agents and other model compounds. The drug transport through artificial sebum was conducted using sebum loaded filter (Transwell) as a membrane, drug suspensions as donor phases and HP-beta-CD buffer solution as a receiver phase. The experiment was performed at 37 degrees C for 2h. The results of the drug transport studies indicate that the flux (J(sebum)) through the artificial sebum is compound dependent and a bell-shaped curve was observed when logJ(s) versus alkyl side chain length of the compounds that proved to be different from the curves obtained upon plotting logJ skin versus clogP for the same compounds, indicating the possibility to select appropriate compounds for sebum targeted delivery based on the differences in the skin flux and sebum transport profiles of the molecules.

  9. Optimized detection of tar content in the manufacturing process using adaptive neuro-fuzzy inference systems.

    Science.gov (United States)

    Avdagic, Zikrija; Begic Fazlic, Lejla; Konjicija, Samim

    2009-01-01

    The purpose of this study is to model and optimize the detection of tar in cigarettes during the manufacturing process and show that low yield cigarettes contain similar levels of nicotine as compared to high yield cigarettes while B (Benzene), T(toluene) and X (xylene) (BTX) levels increase with increasing tar yields. A neuro-fuzzy system which comprises a fuzzy inference structure is used to model such a system. Given a training set of samples, the Adaptive Neuro-Fuzzy Inference System (ANFIS) classifiers learned how to differentiate a new case in the domain. The ANFIS classifiers were used to detect the tar in smoke condensate when five basic features defining cigarette classes indications were used as inputs. A classical method by High Performance Liquid Chromatography (HPLC) is also introduced to solve this problem. At last the performances of these two methods are compared.

  10. 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.)

  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

    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

  12. 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.

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

    Science.gov (United States)

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

    2013-05-15

    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 (δ¹³C) 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. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. 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.

  15. Insights into HIV-1 proviral transcription from integrative structure and dynamics of the Tat:AFF4:P-TEFb:TAR complex.

    Science.gov (United States)

    Schulze-Gahmen, Ursula; Echeverria, Ignacia; Stjepanovic, Goran; Bai, Yun; Lu, Huasong; Schneidman-Duhovny, Dina; Doudna, Jennifer A; Zhou, Qiang; Sali, Andrej; Hurley, James H

    2016-10-12

    HIV-1 Tat hijacks the human superelongation complex (SEC) to promote proviral transcription. Here we report the 5.9 Å structure of HIV-1 TAR in complex with HIV-1 Tat and human AFF4, CDK9, and CycT1. The TAR central loop contacts the CycT1 Tat-TAR recognition motif (TRM) and the second Tat Zn 2+ -binding loop. Hydrogen-deuterium exchange (HDX) shows that AFF4 helix 2 is stabilized in the TAR complex despite not touching the RNA, explaining how it enhances TAR binding to the SEC 50-fold. RNA SHAPE and SAXS data were used to help model the extended (Tat Arginine-Rich Motif) ARM, which enters the TAR major groove between the bulge and the central loop. The structure and functional assays collectively support an integrative structure and a bipartite binding model, wherein the TAR central loop engages the CycT1 TRM and compact core of Tat, while the TAR major groove interacts with the extended Tat ARM.

  16. Bioconversion of lignin model compounds with oleaginous Rhodococci

    Energy Technology Data Exchange (ETDEWEB)

    Kosa, Matyas; Ragauskas, Arthur J. [Georgia Institute of Technology, Atlanta, GA (United States). Dept. of Chemistry and Biochemistry

    2012-01-15

    Although economically efficient biomass conversion depends on the utilization of the complete cell wall (biorefinery concept), including polysaccharides and lignin, current biofuels research concentrate mostly on cellulose conversion, while lignin is viewed as a side-product that is used primarily as a thermal resource. Microbiological conversion of lignin is almost exclusive to fungi, usually resulting in increased cell mass and lignolytic enzymes. Some bacteria can also degrade lignin-related compounds using the {beta}-ketoadipate pathway; for example, Rhodococcus opacus DSM 1069 can degrade coniferyl alcohol and grow on it as sole carbon source. Moreover, this strain belongs to the actinomycetes group that is also known for oleaginous species with lipid accumulation over 20%. Present work shows that R. opacus DSM 1069 and PD630 strains under nitrogen limiting conditions can convert lignin model compounds into triacylglycerols, also known as neutral lipids. 4-Hydroxybenzoic and vanillic acid lignin model compounds were used as sole carbon sources, and after brief adaptation periods, the cells not only began growing but accumulated lipids to the level of oleaginicity. These lipids were extracted for transesterification and analysis of fatty acid methyl esters showed good composition for biodiesel applications with no aromatics. Furthermore, the two strains showed distinct substrate metabolism and product profiles. (orig.)

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

    DEFF Research Database (Denmark)

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

    2003-01-01

    rences: 20 [ view related records ] Citation Map Abstract: Apples and other fruits are frequently cultivated in gardens and are part of our daily diet. Uptake of pollutants into apples may therefore contribute to the human daily intake of toxic substances. In current risk assessment of polluted...... soils, regressions or models are in use, which were not intended to be used for tree fruits. A simple model for uptake of neutral organic contaminants into fruits is developed. It considers xylem and phloem transport to fruits through the stem. The mass balance is solved for the steady......-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...

  18. Atmospheric tar balls: aged primary droplets from biomass burning?

    OpenAIRE

    Tóth, A.; Hoffer, A.; Nyirő-Kósa, I.; Pósfai, M.; Gelencsér, A.

    2014-01-01

    Atmospheric tar balls are particles of special morphology and composition that are fairly abundant in the plumes of biomass smoke. These particles form a specific subset of brown carbon (BrC) which has been shown to play a significant role in atmospheric shortwave absorption and, by extension, climate forcing. Here we suggest that tar balls are produced by the direct emission of liquid tar droplets followed by heat transformation upon biomass burning. For the first time in a...

  19. 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)

  20. Study of the composition of tars produced from blends of coal and polyethylene wastes using high-performance liquid chromatography.

    Science.gov (United States)

    Díez, M A; Alvarez, R; Gayo, F; Barriocanal, C; Moinelo, S R

    2002-02-01

    Tars produced at semi-industrial scale in a coke oven of 6 x 10(3) kg capacity were used to investigate the effect of using polyethylene waste as an additive in the carbonization process with coal. The polyethylene wastes used were low-density polyethylene from the agriculture greenhouses and high-density polyethylene from domestic sources. The high-performance liquid chromatography analysis of the soluble fractions in toluene and carbon disulfide, using two polystyrene-divinylbenzene columns and a mixture of dichloromethane-methanol as a mobile phase, provides useful information on the composition of tars and their derived pitches in terms of the substitution and molecular topology of polynuclear aromatic compounds (PACs). Differences in composition of tars produced with polyethylene waste at 1% (w/w) have been found to be negligible, while a higher amount of the waste (3%, w/w) promoted the formation of peri-condensed PACs at the expense of the substituted cata-condensed PACs. This behaviour is due to more extensive secondary reactions of tar precursors via dealkylation and aromatic condensation taking place during the carbonization process as a consequence of a more viscous co-carbonizing system. Changes in tar composition caused by this amount of polyethylene waste addition were comparable to those promoted by an increase in the carbonization temperature at semi-industrial and industrial ovens and by the coal preheating before the carbonization process. The characteristic features in tar composition were also found for the derived pitches from tars obtained with the polyethylene waste addition.

  1. Tar removal from biomass gasification streams: processes and catalysts

    International Nuclear Information System (INIS)

    Quitete, Cristina P.B.; Souza, Mariana M.V.M.

    2014-01-01

    Biomass gasification is a technology that has attracted great interest in synthesis of biofuels and oxo alcohols. However, this gas contains several contaminants, including tar, which need to be removed. Removal of tar is particularly critical because it can lead to operational problems. This review discusses the major pathways to remove tar, with a particular focus on the catalytic steam reforming of tar. Few catalysts have shown promising results; however, long-term studies in the context of real biomass gasification streams are required to realize their potential. (author)

  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. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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)

  9. 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).

  10. Dynamic frailty models based on compound birth-death processes.

    Science.gov (United States)

    Putter, Hein; van Houwelingen, Hans C

    2015-07-01

    Frailty models are used in survival analysis to model unobserved heterogeneity. They accommodate such heterogeneity by the inclusion of a random term, the frailty, which is assumed to multiply the hazard of a subject (individual frailty) or the hazards of all subjects in a cluster (shared frailty). Typically, the frailty term is assumed to be constant over time. This is a restrictive assumption and extensions to allow for time-varying or dynamic frailties are of interest. In this paper, we extend the auto-correlated frailty models of Henderson and Shimakura and of Fiocco, Putter and van Houwelingen, developed for longitudinal count data and discrete survival data, to continuous survival data. We present a rigorous construction of the frailty processes in continuous time based on compound birth-death processes. When the frailty processes are used as mixtures in models for survival data, we derive the marginal hazards and survival functions and the marginal bivariate survival functions and cross-ratio function. We derive distributional properties of the processes, conditional on observed data, and show how to obtain the maximum likelihood estimators of the parameters of the model using a (stochastic) expectation-maximization algorithm. The methods are applied to a publicly available data set. © The Author 2015. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  11. 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.

  12. 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....

  13. 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...

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

    African Journals Online (AJOL)

    Traditional African Religions (TARs) played a big role in the well-being of the people especially in the field of health in the context of the World Health Organization definition. Unfortunately, they do not seem to have been given consideration in the fight against the current AIDS epidemic and its consequences. TARS being ...

  15. The extraction of bitumen from western tar sands

    Energy Technology Data Exchange (ETDEWEB)

    Oblad, A.G.; Bunger, J.W.; Deo, M.D.; Hanson, F.V.; Miller, J.D.; Seader, J.D.

    1990-07-01

    Topics discussed include: characterization of bitumen impregnated sandstone, water based tar sand separation technology, electrophoretic characterization of bitumen and fine mineral particles, bitumen and tar sand slurry viscosity, the hot water digestion-flotation process, electric field use on breaking water-in-oil emulsions, upgrading of bitumens and bitumen-derived liquids, solvent extraction.

  16. The extraction of bitumen from western tar sands. Annual report

    Energy Technology Data Exchange (ETDEWEB)

    Oblad, A.G.; Bunger, J.W.; Deo, M.D.; Hanson, F.V.; Miller, J.D.; Seader, J.D.

    1990-07-01

    Topics discussed include: characterization of bitumen impregnated sandstone, water based tar sand separation technology, electrophoretic characterization of bitumen and fine mineral particles, bitumen and tar sand slurry viscosity, the hot water digestion-flotation process, electric field use on breaking water-in-oil emulsions, upgrading of bitumens and bitumen-derived liquids, solvent extraction.

  17. 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)

  18. 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.

  19. APW--LCAO band model for A15 compounds

    International Nuclear Information System (INIS)

    Mattheiss, L.F.

    1975-01-01

    The results of nonrelativistic augmented-plane-wave (APW) band-structure calculations at symmetry points in the cubic Brillouin zone for V 3 Si, V 3 Ge, Nb 3 Al, and Nb 3 Sn are fit using the Slater-Koster linear-combination-of-atomic-orbitals (LCAO) interpolation scheme. This LCAO model involves Bloch sums formed from 30 A-atom (A = V, Nb) d orbitals and eight B-atom (B = Si, Ge, Al, Sn) s-p orbitals. In its simplest form, this LCAO model fits 73 APW energy eigenvalues at GAMMA, X, M, and R with an rms error of 0.020 to 0.023 Ry by means of 21 two-center parameters. Improved accuracy is achieved, particularly for states near E/sub F/, by weighting these more heavily in the LCAO fit, partially relaxing the two-center approximation, and increasing the number of LCAO parameters to 39. The results of this APW-LCAO model are applied to evaluate the accuracy of the Labbe-Friedel (LF) linear-chain and the Weger-Goldberg (WG) coupled-chain band models for the A15 compounds. It is concluded that (a) corrections to the LF and WG models (about 3 and 1 eV, respectively) are sufficient to wash out fine structure in the density of states on a meV energy scale; (b) there is no evidence for describing the electronic structure of these A15 as one-dimensional or quasi-one-dimensional in character; (c) the density-of-states peak near E/sub F/ involves primarily A-atom d states with delta 1 (x 2 - y 2 ) symmetry, in contrast to the predictions of the LF (delta 1 + delta 2 ) and WG (delta 2 ) models; (d) the accuracy of the present LCAO model is insufficient for predicting the precise shape of the density of states near E/sub F/ from first principles

  20. 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.

  1. Compound dislocation models (CDMs) for volcano deformation analyses

    Science.gov (United States)

    Nikkhoo, Mehdi; Walter, Thomas R.; Lundgren, Paul R.; Prats-Iraola, Pau

    2017-02-01

    Volcanic crises are often preceded and accompanied by volcano deformation caused by magmatic and hydrothermal processes. Fast and efficient model identification and parameter estimation techniques for various sources of deformation are crucial for process understanding, volcano hazard assessment and early warning purposes. As a simple model that can be a basis for rapid inversion techniques, we present a compound dislocation model (CDM) that is composed of three mutually orthogonal rectangular dislocations (RDs). We present new RD solutions, which are free of artefact singularities and that also possess full rotational degrees of freedom. The CDM can represent both planar intrusions in the near field and volumetric sources of inflation and deflation in the far field. Therefore, this source model can be applied to shallow dikes and sills, as well as to deep planar and equidimensional sources of any geometry, including oblate, prolate and other triaxial ellipsoidal shapes. In either case the sources may possess any arbitrary orientation in space. After systematically evaluating the CDM, we apply it to the co-eruptive displacements of the 2015 Calbuco eruption observed by the Sentinel-1A satellite in both ascending and descending orbits. The results show that the deformation source is a deflating vertical lens-shaped source at an approximate depth of 8 km centred beneath Calbuco volcano. The parameters of the optimal source model clearly show that it is significantly different from an isotropic point source or a single dislocation model. The Calbuco example reflects the convenience of using the CDM for a rapid interpretation of deformation data.

  2. 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

  3. System model for gasification of biomass model compounds in supercritical water – a thermodynamic analysis

    NARCIS (Netherlands)

    Withag, Jan A.M.; Smeets, Jules R.; Bramer, Eduard A.; Brem, Gerrit

    2012-01-01

    This article presents a system model for the process of gasification of biomass model compounds in supercritical water. Supercritical water gasification of wet biomass (water content of 70 wt% or more) has as the main advantage that conversion may take place without the costly drying step. The

  4. 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

  5. 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.

  6. Oral exposure to commercially available coal tar-based pavement sealcoat induces murine genetic damage and mutations.

    Science.gov (United States)

    Long, Alexandra S; Watson, Margaret; Arlt, Volker M; White, Paul A

    2016-08-01

    Coal tar (CT) is a thick black liquid produced as a by-product of coal carbonization to produce coke or manufactured gas. It is comprised a complex mixture of polycyclic aromatic compounds, including a wide range of polycyclic aromatic hydrocarbons (PAHs), many of which are genotoxic and carcinogenic. CT is used in some pavement sealants (also known as sealcoat), which are applied to pavement in order to seal and beautify the surface. Human exposure is known to occur not only during application, but also as a result of the weathering process, as elevated levels of PAHs have been found in settled house dust in residences adjacent to CT-sealed surfaces. In this study we examined the genotoxicity of an extract of a commercially available CT-based sealcoat in the transgenic Muta™Mouse model. Mice were orally exposed to 3 doses of sealcoat extract daily for 28 days. We evaluated genotoxicity by examining: (1) stable DNA adducts and (2) lacZ mutations in bone marrow, liver, lung, small intestine, and glandular stomach, as well as (3) micronucleated red blood cells. Significant increases were seen for each endpoint and in all tissues. The potency of the response differed across tissues, with the highest frequency of adducts occurring in liver and lung, and the highest frequency of mutations occurring in small intestine. The results of this study are the first demonstration of mammalian genotoxicity following exposure to CT-containing pavement sealcoat. This work provides in vivo evidence to support the contention that there may be adverse health effects in mammals, and potentially in humans, from exposure to coal tar. Environ. Mol. Mutagen. 57:535-545, 2016. © 2016 Her Majesty the Queen in Right of Canada. © 2016 Reproduced with the permission of the Government of Canada.

  7. Fresh tar (from a biomass gasifier) elimination over a commercial steam-reforming catalyst. Kinetics and effect of different variables of operation

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-02-01

    The upgrading of the raw gas from a biomass gasifier is studied with the commercial steam-reforming BASF G1-25 S nickel-based catalyst. It is located downstream of the gasifier, a bubbling fluidized bed type in which air is used as gasifying agent. To increase the catalyst lifetime, a guard bed of a calcined dolomite at 800--850 C is used. It decreases the throughput of tar entering the catalytic bed to amounts below 2 g tar/m{sup 3}(NC). This work is focused only on the catalytic bed which easily decreases the tar content in the gas to only 1--2 mg/m{sub 3}(NC). Variables studied include the particle diameter of the catalyst, time-on-stream, temperature of the catalytic bed, and gas and tar compositions. Both tar and gas compositions in the catalytic (Ni) reactor depend on the equivalence and H/C ratios existing in the gasifier and on the operating conditions of the guard bed of dolomite. A simple kinetic model is used to describe the overall tar elimination network. Its overall kinetic constant is used as index of the catalyst activity for tar elimination. Values of this overall kinetic constant are given for very different operating conditions.

  8. 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)

  9. 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.

  10. Atmospheric tar balls: aged primary droplets from biomass burning?

    Science.gov (United States)

    Tóth, A.; Hoffer, A.; Nyirő-Kósa, I.; Pósfai, M.; Gelencsér, A.

    2014-07-01

    Atmospheric tar balls are particles of special morphology and composition that are fairly abundant in the plumes of biomass smoke. These particles form a specific subset of brown carbon (BrC) which has been shown to play a significant role in atmospheric shortwave absorption and, by extension, climate forcing. Here we suggest that tar balls are produced by the direct emission of liquid tar droplets followed by heat transformation upon biomass burning. For the first time in atmospheric chemistry we generated tar-ball particles from liquid tar obtained previously by dry distillation of wood in an all-glass apparatus in the laboratory with the total exclusion of flame processes. The particles were perfectly spherical with a mean optical diameter of 300 nm, refractory, externally mixed, and homogeneous in the contrast of the transmission electron microscopy (TEM) images. They lacked any graphene-like microstructure and exhibited a mean carbon-to-oxygen ratio of 10. All of the observed characteristics of laboratory-generated particles were very similar to those reported for atmospheric tar-ball particles in the literature, strongly supporting our hypothesis regarding the formation mechanism of atmospheric tar-ball particles.

  11. Occurrence of tar balls on the beaches of Fernando de Noronha Island, South Equatorial Atlantic.

    Science.gov (United States)

    Baptista Neto, José Antônio; da Costa Campos, Thomas Ferreira; de Andrade, Carala Danielle Perreira; Sichel, Susanna Eleonora; da Fonseca, Estefan Monteiro; Motoki, Akihisa

    2014-12-01

    This work reports on the widespread occurrence of tar balls on a pebble beach of Sueste Bay on Fernando de Noronha Island, a Brazilian national marine park and a preserve in the South Equatorial Atlantic. Environmental regulations preclude regular visitors to the Sueste Bay beach, and the bay is a pristine area without any possible or potential sources of petroleum in the coastal zone. In this work, these tar balls were observed for the first time as they occurred as envelopes around beach pebbles. They are black in color, very hard, have a shell and coral fragment armor, and range in average size from 2 to 6 cm. The shape of the majority of the tar balls is spherical, but some can also be flattened ellipsoids. The polycyclic aromatic hydrocarbon analyses of the collected samples revealed the characteristics of a strongly weathered material, where only the most persistent compounds were detected: chrysene, benzo(b,k)fluoranthene, dibenzo(a,h)antracene and benzo(a)pyrene.

  12. 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

  13. 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

  14. 3D reconstruction of carotid atherosclerotic plaque: comparison between spatial compound ultrasound models and anatomical models

    DEFF Research Database (Denmark)

    Lind, Bo L.; Fagertun, Jens; Wilhjelm, Jens E.

    2007-01-01

    compound ultrasound (US) and subsequently sliced and photographed to produce a 3D anatomical data set. Outlines in the ultrasound data were found by means of active contours and combined into 10 3D ultrasound models. The plaque regions of the anatomical photographs were outlined manually and then combined...... into 10 3D anatomical models. The volumes of the anatomical models correlated with the volume found by a water displacement method (r = 0.95), except for an offset. The models were compared in three ways. Visual inspection showed quite good agreement between the models. The volumes of the ultrasound...

  15. Source identification of a tar residue from Mumbai Beach

    Digital Repository Service at National Institute of Oceanography (India)

    Kadam, A.N.; 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...

  16. 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.

  17. Purification of raw anthracene from black coal tar by crystallization with n-methyl-epsilon-caprolactam

    Energy Technology Data Exchange (ETDEWEB)

    Polaczek, J.; Tecza, T.; Szen, A.; Lisicki, Z.

    1988-07-01

    Compares the performance of NMC (n-methyl-epsilon-caprolactam) and NMP (n-methyl pyrrolidone) as solvents for extracting pure anthracene from crude black coal tar anthracene. Industrial crude anthracene contained 40% anthracene, 13% carbazole, 10% phenanthrene, 3% fluorene and other compounds. Results of laboratory solvent extraction experiments with NMC and NMP are provided, showing the efficient performance of NMC. Extracted anthracene by crystallization had 96% purity. Tables and graphs show crystallization yield and chemical composition of purified anthracene. It is therefore proposed to use NMC solvent for anthracene purification on an industrial scale. A patent application has been submitted under Polish patent nr. P-283250 (1986). 13 refs.

  18. Brown carbon in tar balls from smoldering biomass combustion

    OpenAIRE

    R. K. Chakrabarty; H. Moosmüller; L.-W. A. Chen; K. Lewis; W. P. Arnott; C. Mazzolen; M. 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 Ångström coefficients (AAC) indicate that a class of light absorbing organic carbon (OC) with wavelength dependent imaginary part of its refractive index – optically defined as "brown carbon" – is an important component of tar balls. The spectrum of the...

  19. 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.

  20. Rebound of a Coal Tar Creosote Plume Following Partial Source Zone Treatment With Permanganate

    Science.gov (United States)

    Thomson, N.; Fraser, M.; Lamarche, C.; Barker, J.; Forsey, S.

    2009-05-01

    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). A network of ~280 14-point multilevel samplers was used to monitor the dissolved plumes and mass discharge of ten compounds emanating from an emplaced coal tar creosote source for greater than 10 years. Bench scale experiments demonstrated that eight of the ten study compounds were readily oxidized by permanganate. Based on mass balance estimates, the 125 Kg of permanganate delivered to the source zone over 35 days would be capable of transforming at most 10% of the residual NAPL. This was sufficient to produce a short-term (after 150 days) decrease in mass discharge of greater than 35% for all monitored compounds except biphenyl, dibenzofuran, and fluoranthene. Pre- and post-treatment soil core data indicated a highly variable spatial distribution of mass within the source zone and provided no insight into the mass removed. The down-gradient plume was monitored approximately 1, 2 and 4 years following treatment. Once treated, oxidized compounds displayed a reduced plume mass and mass discharge while they migrated through the monitoring network. The data collected at 1 and 2 years post- treatment showed a decrease in mass discharge of 10 to 60% and/or total plume mass of 0 to 55%. Once the treated compounds migrated beyond the monitoring network (4-years post treatment) the mass discharge and plume mass of these compounds returned to pre-treatment values or higher. Non-reactive compounds displayed no significant change in mass discharge or plume mass. In the long term, reduction of mass discharge and total plume mass was within the error associated with mass discharge and total plume mass estimates, even at this highly monitored site.

  1. 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

  2. Absorptive removal of biomass tar using water and oily materials.

    Science.gov (United States)

    Phuphuakrat, Thana; Namioka, Tomoaki; Yoshikawa, Kunio

    2011-01-01

    Water is the most common choice of absorption medium selected in many gasification systems. Because of poor solubility of tar in water, hydrophobic absorbents (diesel fuel, biodiesel fuel, vegetable oil, and engine oil) were studied on their absorption efficiency of biomass tar and compared with water. The results showed that only 31.8% of gravimetric tar was removed by the water scrubber, whereas the highest removal of gravimetric tar was obtained by a vegetable oil scrubber with a removal efficiency of 60.4%. When focusing on light PAH tar removal, the absorption efficiency can be ranked in the following order; diesel fuel>vegetable oil>biodiesel fuel>engine oil>water. On the other hand, an increase in gravimetric tar was observed for diesel fuel and biodiesel fuel scrubbers because of their easy evaporation. Therefore, the vegetable oil is recommended as the best absorbent to be used in gasification systems. Copyright © 2010 Elsevier Ltd. All rights reserved.

  3. Exploring the chemical composition of pelagic tar collected in the North Atlantic Ocean

    Science.gov (United States)

    Green, H. S.; Reddy, C. M.; Valentine, D. L.; Aeppli, C.; Swarthout, B.; Sharpless, C.; Joyce, P.; Meyer, A. W.; Fuller, S. A.; Gosselin, K.

    2016-12-01

    Pelagic tarballs have been linked to multiple sources and their abundances follow notable historical and geographic trends. An overwhelming number of studies point to operational discharges (cargo washing) as the main source of pelagic tar. In a recent review article, Warnock et al. (2015) summarized that the abundance of tar balls has decreased over the last 30 years. The decreasing trend of tarballs has been attributed to the MARPOL 73/78 Annex I legislation, which was created from conventions held in 1973 and again in 1978 to respond to several tanker accidents and other pollution-related inputs. Two of the studies supporting the "MARPOL 73/78 effect" were based on the historical record of tarballs collected in the North Atlantic Ocean by the Sea Education Association (SEA; Woods Hole, MA). To supplement the SEA record, we performed a series of geochemical analyses on 100 of the SEA samples collected from 1988 to 2014. Bulk and gas chromatographic (GC) analyses revealed that the samples were highly variable. For example, the amount of material that could be dissolved in organic solvent but not measured by gas chromatography (referred to as the % GC amenable, a proxy on the distribution of compound classes that compose the tar) ranged from 10 to 80%, although skewed to values less than 40%. Another parameter, based on the GC data, was the perecentage of the resolved relative to the unresolved signal spanned from 0.1 to 1.8. Nine of the sampes would not dissolve in organic solvents and appear to be soot or coal. This study has an operation limitation as we choose to only examine samples > 1 cm (relative to samples smaller than 1mm). Our approach was based on the assumption that these samples were the most unlikely to be weathered and hence retain the genetic features of the initially released tar. While this study does not have the capacity to test confidently the MARPOL 73/78 effect, it does show that pelagic tars are highly variable, which in turn, have

  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. Higher Order Moments Generation by Mellin Transform for Compound Models of Clutter

    OpenAIRE

    Bhattacharya, C

    2008-01-01

    The compound models of clutter statistics are found suitable to describe the nonstationary nature of radar backscattering from high-resolution observations. In this letter, we show that the properties of Mellin transform can be utilized to generate higher order moments of simple and compound models of clutter statistics in a compact manner.

  6. Estimation of Higher Order Moments for Compound Models of Clutter by Mellin Transform

    OpenAIRE

    Bhattacharya, C

    2008-01-01

    The compound models of clutter statistics are found suitable to describe the nonstationary nature of radar backscattering from high-resolution observations. In this letter, we show that the properties of Mellin transform can be utilized to generate higher order moments of simple and compound models of clutter statistics in a compact manner

  7. Encapsulation of a model compound in pectin delays its release from a biobased polymeric material

    Science.gov (United States)

    A model compound was encapsulated in pectin and then extruded with thermoplastic starch to form a composite. The intended product was a food-contact tray made of biobased polymers infused with an anti-microbial agent; however, caffeine was used as the model compound in the preliminary work. The mode...

  8. Kinetics of co-pyrolysis of sawdust, coal and tar.

    Science.gov (United States)

    Montiano, M G; Díaz-Faes, E; Barriocanal, C

    2016-04-01

    Two coals, sawdust and coal tar were selected to prepare briquettes. Thermogravimetric analyses at three heating rates (i.e. 10, 20 and 30°C/min) and up to 1000°C were carried out with the briquette components. Four blends were prepared and the experimental decomposition profiles were compared with the calculated data taking into account the amount of each component in the blend. No interaction was found when comparing the experimental and calculated decomposition profiles of the blends. Isoconversional models OFW (Ozawa-Flynn-Wall) and KAS (Kissinger-Akahira-Sunose) were used to obtain the activation energies of the blend components. The activation energies obtained were introduced in the Coats-Redfern (CR) model to derive the pre-exponential factors. The thermal decomposition profiles calculated using the kinetic parameters were in good agreement with the experimental results in the case of the briquette components, but worse results were obtained in the case of the blends due to their greater complexity. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. 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...

  10. Screening method for solvent selection used in tar removal by the absorption process.

    Science.gov (United States)

    Masurel, Eve; Authier, Olivier; Castel, Christophe; Roizard, Christine

    2015-01-01

    The aim of this paper is the study of the treatment of flue gas issued from a process of biomass gasification in fluidized bed. The flue gas contains tar which should be selectively removed from the fuel components of interest (e.g. H2, CO and light hydrocarbons) to avoid condensation and deposits in internal combustion engine. The chosen flue gas treatment is the gas-liquid absorption using solvents, which present specific physicochemical properties (e.g. solubility, viscosity, volatility and chemical and thermal stability) in order to optimize the unit on energetic, technico-economic and environmental criteria. The rational choice of the proper solvent is essential for solving the tar issue. The preselection of the solvents is made using a Hansen parameter in order to evaluate the tar solubility and the saturation vapour pressure of the solvent is obtained using Antoine law. Among the nine families of screened solvents (alcohols, amines, ketones, halogenates, ethers, esters, hydrocarbons, sulphured and chlorinates), acids methyl esters arise as solvents of interest. Methyl oleate has then been selected and studied furthermore. Experimental liquid-vapour equilibrium data using bubbling point and absorption cell measurements and theoretical results obtained by the UNIFAC-Dortmund model confirm the high potential of this solvent and the good agreement between experimental and theoretical results.

  11. Aggravated test of Intermediate temperature solid oxide fuel cells fed with tar-contaminated syngas

    Science.gov (United States)

    Pumiglia, Davide; Vaccaro, Simone; Masi, Andrea; McPhail, Stephen J.; Falconieri, Mauro; Gagliardi, Serena; Della Seta, Livia; Carlini, Maurizio

    2017-02-01

    In the present work, the effects of a tar-containing simulated syngas on an IT-SOFC (Intermediate Temperature Solid Oxide Fuel Cell) are evaluated. Performance and degradation rate of a planar anode-supported cell, operating under a simulated syngas obtained from steam-enriched air gasification of biomass, have been studied. The simulated syngas was contaminated using toluene as a model tar. Polarization curves and electrochemical impedance spectroscopy have been carried out under different toluene concentrations. A cell was then operated under a constant current density on a long run. EIS measurements were made during the operation to analyze the degradation, and the voltage evolution of the cell was compared to that obtained from another identical cell operated in clean syngas for 1000 h under similar conditions. A deep post-mortem characterization was performed by means of XRD measurements, Raman spectroscopy and SEM/EDS analysis. Results show that the presence of tar dramatically reduces the electrochemical performances of the cell, affecting both activation and mass transport processes. Post-mortem analysis shows the formation of carbon deposits, oxidation of Ni to NiO, segregation of ZrO2 from the YSZ phase, particle coarsening and enhanced fragility of the anode structure, in good agreement with what suggested from the electrochemical results.

  12. 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.

  13. Would a medium-nicotine, low-tar cigarette be less hazardous to health?

    OpenAIRE

    Stepney, R

    1981-01-01

    Smoking behaviour and exposure to carbon monoxide, nicotine, and tar were studied in 19 middle-tar smokers. All smoked their own brands for three weeks and then switched to either a conventional low-nicotine, low-tar brand (control) or a medium-nicotine, low-tar cigarette for a further three weeks, the order then being reversed. The medium-nicotine, low-tar brand also had a low delivery of carbon monoxide. With the medium-nicotine, low-tar cigarette mouth-level delivery and intake of nicotine...

  14. 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.

  15. 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

  16. 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

  17. Remediation of sites with coal tar contamination. A case study

    International Nuclear Information System (INIS)

    Zapf-Gilje, R.; Patrick, G.C.; Lindroos, P.

    2000-01-01

    The production and use of coal tar was tied to the industrial revolution and its dependence on coal for energy and as chemical feedstock for a large range of organic and inorganic products. Coal tar was produced, often as a byproduct, by coal gasification plants. The North American coal tar production in the mid 1950s was in the order of 25 billion litres. The production, handling, storage and use of coal tar and its derivatives generated a legacy of soil and groundwater contamination that today requires remediation at high costs. At one such site, coal tar was manufactured into a variety of roofing and tarbased products, as well as the production of creosote, oil stains, solvents and anhydrous ammonia. Over its 60 years of operation, a number of chemicals were leaked, dumped or released to the soil and groundwater on the site, of which the most significant was a brown dense non-aqueous phase liquid (DNAPL) with an oil-like viscosity. This DNAPL migrated from the fill, through a pre-development floodplain silt layer and into an underlying sand aquifer. Portions of the DNAPL moved along preferential pathways associated with the coarser material in the aquifer and reached the nearby river sediments, resulting in elevated concentrations of polyaromatic hydrocarbons (PAH). Site remediation was conducted mitigate risks posed by the coal tar. Remediation has included: in-place management of deep soil contamination, removal of shallow soil with high PAH concentrations (i.e., 10 times the provincial concentration standards for commercial land use), control of dissolved contamination in groundwater, and recovery of free- phase creosote. The remediation also provided long-term protection of the adjacent aquatic habitat through a combination of groundwater and DNAPL control and recovery, removal of near-shore contaminated sediments, and containment and natural attenuation of far-shore contaminated sediments through the use of a layer of crushed rock placed as a protective cap

  18. 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

  19. 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)

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

    Science.gov (United States)

    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

    2015-11-01

    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. Copyright © 2015 Elsevier B.V. All rights reserved.

  1. 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.

    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...

  2. 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

  3. Biomass waste gasification - can be the two stage process suitable for tar reduction and power generation?

    Science.gov (United States)

    Sulc, Jindřich; Stojdl, Jiří; Richter, Miroslav; Popelka, Jan; Svoboda, Karel; Smetana, Jiří; Vacek, Jiří; Skoblja, Siarhei; Buryan, Petr

    2012-04-01

    A pilot scale gasification unit with novel co-current, updraft arrangement in the first stage and counter-current downdraft in the second stage was developed and exploited for studying effects of two stage gasification in comparison with one stage gasification of biomass (wood pellets) on fuel gas composition and attainable gas purity. Significant producer gas parameters (gas composition, heating value, content of tar compounds, content of inorganic gas impurities) were compared for the two stage and the one stage method of the gasification arrangement with only the upward moving bed (co-current updraft). The main novel features of the gasifier conception include grate-less reactor, upward moving bed of biomass particles (e.g. pellets) by means of a screw elevator with changeable rotational speed and gradual expanding diameter of the cylindrical reactor in the part above the upper end of the screw. The gasifier concept and arrangement are considered convenient for thermal power range 100-350 kW(th). The second stage of the gasifier served mainly for tar compounds destruction/reforming by increased temperature (around 950°C) and for gasification reaction of the fuel gas with char. The second stage used additional combustion of the fuel gas by preheated secondary air for attaining higher temperature and faster gasification of the remaining char from the first stage. The measurements of gas composition and tar compound contents confirmed superiority of the two stage gasification system, drastic decrease of aromatic compounds with two and higher number of benzene rings by 1-2 orders. On the other hand the two stage gasification (with overall ER=0.71) led to substantial reduction of gas heating value (LHV=3.15 MJ/Nm(3)), elevation of gas volume and increase of nitrogen content in fuel gas. The increased temperature (>950°C) at the entrance to the char bed caused also substantial decrease of ammonia content in fuel gas. The char with higher content of ash leaving the

  4. Commercial steam reforming catalysts to improve biomass gasification with steam-oxygen mixtures. 2: Catalytic tar removal

    Energy Technology Data Exchange (ETDEWEB)

    Aznar, M.P.; Caballero, M.A.; Gil, J.; Martin, J.A. [Univ. of Saragossa (Spain). Chemical and Environmental Engineering Dept.; Corella, J. [Univ. Complutense of Madrid (Spain). Chemical Engineering Dept.

    1998-07-01

    Eight different commercial catalysts, nickel based, for steam reforming of naphthas and of natural gas are tested in biomass gasification for hot gas cleanup and conditioning. They were manufactured by BASF AG, ICI-Katalco, UCI, and Haldor Topsoee a/s. The catalysts were tested in a slip flow after a biomass gasifier of fluidized bed type at small pilot-plant scale (10--20 kg of biomass/h). The gasifying agent used is steam-oxygen mixtures. A guard bed containing a calcined dolomite is used to decrease the tar content in the gas at the inlet of the catalytic bed. Main variables studied are catalyst type, bed temperature, H{sub 2}O + O{sub 2} to biomass feed ratio, and time-on-stream. All catalysts for reforming of naphthas show to be very active and useful for tar removal and gas conditioning (in biomass gasification). 98% tar removal is easily obtained with space velocities of 14,000 h{sup {minus}1} (n.c.). No catalysts deactivation is found in 48 h-on-stream tests when the catalyst temperature is relatively high (780--830 C). Using a simple first-order kinetic model for the overall tar removal reaction, apparent energies of activation (of around 58 kJ/mol) and preexponential factors are obtained for the most active catalysts.

  5. 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.

  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. 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

  8. Inhibition of intercellular communication by condensates of high and low tar cigarettes

    DEFF Research Database (Denmark)

    Vang, Ole; Wallin, H.; Autrup, H.

    1995-01-01

    condensates (CSC) and CSC fractions from high and low tar cigarettes was tested. CSC of both high and low tar cigarettes and fractions thereof contained tumor promoting activity. The tar yield of the cigarettes did not closely reflect the effects in the GJIC assay and the major constituent nicotine had...

  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. 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.

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

    NARCIS (Netherlands)

    A.M. Fischer (Andrew Martín)

    2007-01-01

    textabstractThis first in a series of independent analyses by Andrew Martin Fischer, commissioned by Tibet Watch, a research-based organisation established in London in 2006, examines the rapid growth that has been generated in the Tibetan Autonomous Region (TAR) through the extremely heavy

  14. 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.

  15. Physical and chemical characterization of acid tar waste from crude ...

    African Journals Online (AJOL)

    In the present investigation gas chromatography/mass spectrometry (GC/MS), fourier transform infrared (FTIR), inductively coupled plasma/atomic emission spectrometry (ICP/AES), scanning electron microscopy with energy dispersive Xray (SEM/EDX) were mainly used to characterize the acid tar waste from crude benzol ...

  16. Literature Review on Possible Alternatives to Tar for Antiskid Layers

    NARCIS (Netherlands)

    Xiao, Y.

    2010-01-01

    In airports, there are different areas such as runways, taxiways, aprons and parking areas. For runways, good skid resistance and water drainage of the surface layer is necessary. Tar, because of its good adhesion properties and other advantages as mentioned above, is widely used in thin, high skid

  17. 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.

  18. Characterization of Graphitization in Coal Tar and Petroleum Pitches.

    Science.gov (United States)

    1985-08-01

    oven gas," composed mainly of hydrogen and methane. Some organic material still remains in the coal after the coke - oven gas is - driven off. Further...we will be concentrating on coal -tar and petroleum pitch sources (1). Pyrolysis Pyrolyzation, or pitch-to- coke transformation, takes place very...4 Pitch...........................6 Pyrolysis ..................................... 7 Coke ..........................................17 Carbonization

  19. 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...

  20. 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 ...

  1. 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.

  2. 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)

  3. Risk estimates of impacts from emerging tar-sand technologies

    International Nuclear Information System (INIS)

    Daniels, J.I.; Anspaugh, L.R.; Ricker, Y.E.

    1982-01-01

    The North American continent has the largest tar-sand resources in the world with approximately 1.3x10 12 barrels of oil-equivalent in Canada and 3.6x10 10 barrels of oil-equivalent in the USA. Petroleum from these deposits can significantly increase crude oil supplies. However, no single oil-recovery process is likely to be applicable to all tar-sand deposits, which differ considerably in their geophysical and chemical properties. The authors have estimated the risk of occurrence of significant unfavourable environmental, health and safety impacts associated with tar-sand technologies. These estimates were made from information related to typical emerging surface (above ground) and in-situ (underground) tar-sand oil-recovery processes. Both types of processes are being developed for use on tar-sand deposits in the USA and may also be applicable to deposits in other countries. First, the levels of pollutant emissions affecting land, air and water were determined from data related to current US field experiments involving surface processes (including retort and solvent extraction methods), and in-situ techniques (including combustion and steam-injection methods). Next, these data were extrapolated to determine pollutant levels expected from conceptual commercial facilities producing 20,000 barrels per day. These estimates predict the nature and magnitude of environmental, health and safety impacts. The likelihood of occurrence of these impacts was then assessed. Experience from other industries, including information concerning health and ecosystem damage from air pollutants, measurements of groundwater transport of organic pollutants, and the effectiveness of environmental control technologies, was used to make this assessment, from which it was concluded that certain adverse effects are more likely to occur than others. These effects are discussed in the paper and ordered for surface and in-situ technologies according to their likelihood of occurrence

  4. 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.

  5. 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.

  6. 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.

  7. Solubility Prediction of Active Pharmaceutical Compounds with the UNIFAC Model

    Science.gov (United States)

    Nouar, Abderrahim; Benmessaoud, Ibtissem; Koutchoukali, Ouahiba; Koutchoukali, Mohamed Salah

    2016-03-01

    The crystallization from solution of an active pharmaceutical ingredient requires the knowledge of the solubility in the entire temperature range investigated during the process. However, during the development of a new active ingredient, these data are missing. Its experimental determination is possible, but tedious. UNIFAC Group contribution method Fredenslund et al. (Vapor-liquid equilibria using UNIFAC: a group contribution method, 1977; AIChE J 21:1086, 1975) can be used to predict this physical property. Several modifications on this model have been proposed since its development in 1977, modified UNIFAC of Dortmund Weidlich et al. (Ind Eng Chem Res 26:1372, 1987), Gmehling et al. (Ind Eng Chem Res 32:178, 1993), Pharma-modified UNIFAC Diedrichs et al. (Evaluation und Erweiterung thermodynamischer Modelle zur Vorhersage von Wirkstofflöslichkeiten, PhD Thesis, 2010), KT-UNIFAC Kang et al. (Ind Eng Chem Res 41:3260, 2002), ldots In this study, we used UNIFAC model by considering the linear temperature dependence of interaction parameters as in Pharma-modified UNIFAC and structural groups as defined by KT-UNIFAC first-order model. More than 100 binary datasets were involved in the estimation of interaction parameters. These new parameters were then used to calculate activity coefficient and solubility of some molecules in various solvents at different temperatures. The model gives better results than those from the original UNIFAC and shows good agreement between the experimental solubility and the calculated one.

  8. Enzymatically triggered release of dye model compounds from zeinparticles

    NARCIS (Netherlands)

    Nieuwland, M.; Papen-Botterhuis, N.E.; Drost, W.C.; Slaghek, T.M.; Erich, B.S.J.F.

    2016-01-01

    tA responsive release system consisting of biocide encapsulated by the hydrophobic protein zein wasinvestigated, in which a biocide will be released if growth of micro-organisms occurs. Because biociderelease is difficult to detect, a model system using dyes with different size, polarity and charge

  9. 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...

  10. 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)

  11. In situ catalytic hydrogenation of model compounds and biomass-derived phenolic compounds for bio-oil upgrading

    Science.gov (United States)

    Junfeng Feng; Zhongzhi Yang; Chung-yun Hse; Qiuli Su; Kui Wang; Jianchun Jiang; Junming Xu

    2017-01-01

    The renewable phenolic compounds produced by directional liquefaction of biomass are a mixture of complete fragments decomposed from native lignin. These compounds are unstable and difficult to use directly as biofuel. Here, we report an efficient in situ catalytic hydrogenation method that can convert phenolic compounds into saturated cyclohexanes. The process has...

  12. 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

  13. Global emissions and models of photochemically active compounds

    Energy Technology Data Exchange (ETDEWEB)

    Penner, J.E.; Atherton, C.S. [Lawrence Livermore National Lab., CA (United States); Graedel, T.E. [AT and T Bell Labs., Murray Hill, NJ (United States)

    1993-05-20

    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} {times} 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.

  14. 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.

  15. How EPA's Asbestos Regulations Apply to Window Caulk, Glazing Compound, Wiring and Other Similar Materials

    Science.gov (United States)

    Letters that provide guidance on asbestos National Emissions Standard of Hazardous Air Pollutants (NESHAP) applicability to linoleum, tar paper, electric wiring, floor tile mastic, caulking compounds, and other similar materials during demolition

  16. Rigorous selection of random forest models for identifying compounds that activate toxicity-related pathways

    Directory of Open Access Journals (Sweden)

    Yoshihiro eUesawa

    2016-02-01

    Full Text Available Random forest (RF is a machine-learning ensemble method with high predictive performance. Majority voting in RF uses the discrimination results in numerous decision trees produced from bootstrapping data. For the same dataset, the bootstrapping process yields different predictive capacities in each generation. As participants in the Toxicology in the 21st Century (Tox21 DATA Challenge 2014, we produced numerous RF models for predicting the structures of compounds that can activate each toxicity-related pathway, and then selected the model with the highest predictive ability. Half of the compounds in the training dataset supplied by the competition organizer were allocated to the validation dataset. The remaining compounds were used in model construction. The charged and uncharged forms of each molecule were calculated using the molecular operating environment (MOE software. Subsequently, the descriptors were computed using MOE, MarvinView, and Dragon. These combined methods yielded over 4,071 descriptors for model construction. Using these descriptors, pattern recognition analyses were performed by RF implemented in JMP Pro (a statistical software package. A hundred to two hundred RF models were generated for each pathway. The predictive performance of each model was tested against the validation dataset, and the best-performing model was selected. In the competition, the latter model selected a best-performing model from the 50% test set that best predicted the structures of compounds that activate the estrogen receptor ligand-binding domain (ER-LBD.

  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. 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

  20. 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...

  1. 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

    The gene expression programming (GEP) strategy is applied for presenting two corresponding states models to represent/predict the surface tension of about 1,700 compounds (mostly organic) from 75 chemical families at various temperatures collected from the DIPPR 801 database. The models parameter...

  2. 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.

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

    Science.gov (United States)

    Lalonde, Matthew S; Lobritz, Michael A; Ratcliff, Annette; Chamanian, Mastooreh; Athanassiou, Zafiria; Tyagi, Mudit; Wong, Julian; Robinson, John A; Karn, Jonathan; Varani, Gabriele; Arts, Eric J

    2011-05-01

    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. 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

  5. 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

  6. The reciprocal relationship between compounding awareness and vocabulary knowledge in Chinese: a latent growth model study

    Directory of Open Access Journals (Sweden)

    Yahua eCheng

    2015-04-01

    Full Text Available The aim of this study is to examine the developmental relationship between compounding awareness and vocabulary knowledge from grades 1 to 2 in Chinese children. In this study, 149 Chinese children were tested on compounding awareness and vocabulary knowledge from Time 1 to Time 4, with nonverbal IQ, working memory, phonological awareness, orthographical awareness, and rapid automatized naming at Time 1 as control variables. Latent growth modeling was conducted to analyze the data. Univariate models separately calculated children’s initial levels and growth rates in compounding awareness and vocabulary knowledge. Bivariate model was used to examine the direction of the developmental relationships between the two variables with other cognitive and linguistic variables and the autoregression controlled. The results demonstrated that the initial level of compounding awareness predicted the growth rate of vocabulary knowledge, and the reverse relation was also found, after controlling for other cognitive and linguistic variables and the autoregression. The results suggested a reciprocal developmental relationship between children’s compounding awareness and vocabulary knowledge for Chinese children, a finding that informs current models of the relationship between morphological awareness and vocabulary knowledge.

  7. The reciprocal relationship between compounding awareness and vocabulary knowledge in Chinese: a latent growth model study.

    Science.gov (United States)

    Cheng, Yahua; Li, Liping; Wu, Xinchun

    2015-01-01

    The aim of this study is to examine the developmental relationship between compounding awareness and vocabulary knowledge from grades 1 to 2 in Chinese children. In this study, 149 Chinese children were tested on compounding awareness and vocabulary knowledge from Time 1 to Time 4, with non-verbal IQ, working memory, phonological awareness, orthographical awareness, and rapid automatized naming at Time 1 as control variables. Latent growth modeling was conducted to analyze the data. Univariate models separately calculated children's initial levels and growth rates in compounding awareness and vocabulary knowledge. Bivariate model was used to examine the direction of the developmental relationships between the two variables with other cognitive and linguistic variables and the autoregression controlled. The results demonstrated that the initial level of compounding awareness predicted the growth rate of vocabulary knowledge, and the reverse relation was also found, after controlling for other cognitive and linguistic variables and the autoregression. The results suggested a reciprocal developmental relationship between children's compounding awareness and vocabulary knowledge for Chinese children, a finding that informs current models of the relationship between morphological awareness and vocabulary knowledge.

  8. Modeling of half-Heusler compound NiMnSb within tight-binding approximation

    Science.gov (United States)

    Sugiyanto, Majidi, M. A.; Nanto, D.

    2017-07-01

    Heusler compounds are families of magnetic materials with general stoichiometry of either X2YZ (full-Heusler compound) or XYZ (half-Heusler compound), with X and Y being transition metal elements, and Z a main-group element. Their various potentials for technology development make them be still relevant as a subject of both experimental and theoretical studies. Half-Heusler compounds are generally crystallized in the C1b-type structure. The magnetic moments of such materials may be predicted using Slater-Pauling rule, giving m = (Nvalence electrons - 18)µB per formula unit. However, this simple counting rule does not always work for all compounds in this group. This motivates us to perform a theoretical study to investigate the mechanism of magnetic moment formation microscopically. As a case study, we focus on NiMnSb, a particular half-Heusler compound, for which comparison between existing experimental results and theoretical predictions of its magnetic moment has not yet been quite convincing. We model the system by constructing a tight-binding-based Hamiltonian, incorporating Hubbard repulsive as well as spin-spin interactions for the electrons occupying the d-orbitals. We solve the model using Green's function approach, and treat the interaction terms within the mean-field approximation. At this stage, we aim to formulate the computational algorithm for the overall calculation process. Our final goal is to compute the total magnetic moment per unit cell of this system and compare it with available experimental data.

  9. Bioventing PAH contamination at the Reilly Tar Site

    International Nuclear Information System (INIS)

    Alleman, B.C.; Hinchee, R.E.; Brenner, R.C.; McCauley, P.T.

    1995-01-01

    A pilot-scale bioventing demonstration has been in progress since November 1992 to determine if bioventing is an effective remediation treatment for polycyclic aromatic hydrocarbons (PAHs). The Reilly Tar and Chemical Corporation site in St. Louis Park, Minnesota, was selected for this demonstration. The location is the site of a former coal tar refinery and wood-preserving facility at which creosote in mineral oil served as the primary preservative. The goal of the project is to achieve 10% greater PAH removal over background degradation for each year of the 3-year study. Respiration measurements were made to estimate PAH biodegradation as a means of monitoring the progress of the technology. These measurements indicated that 13.4% and 17.3% degradation of the total PAH was possible during the first year and second year, respectively. Although not all of the respiration can be attributed conclusively to PAH metabolism, strong correlations were found between the PAH concentration and biodegradation rates

  10. An experimental evaluation of coke production from bituminous coal tar

    Energy Technology Data Exchange (ETDEWEB)

    Kaloc, M.; Janik, M.; Rojak, A.

    1981-01-01

    Results of studies of laboratory coking of bituminous coal tar are presented, which verify the technical feasibility and suitability of this engineering process for coke production. Thanks to the closed-system character of the process, it is suitable for technological and hygienic reasons. The yield of pitch coke is higher by comparison with that from chamber coking; also the properties of this coke are better; it is suitable for more varied applications, including the production of large-diameter graphite electrodes.

  11. Analytical modelling of stable isotope fractionation of volatile organic compounds in the unsaturated zone

    OpenAIRE

    Bouchard, D.; Cornaton, F.; Höhener, P.; Hunkeler, D.

    2011-01-01

    Analytical models were developed that simulate stable isotope ratios of volatile organic compounds (VOCs) near a point source contamination in the unsaturated zone. The models describe diffusive transport of VOCs, biodegradation and source ageing. The mass transport is governed by Fick's law for diffusion. The equation for reactive transport of VOCs in the soil gas phase was solved for different source geometries and for different boundary conditions. Model results were compared to experiment...

  12. 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

  13. Interaction of a biguanide compound with membrane model interface systems: probing the properties of antimalaria and antidiabetic compounds.

    Science.gov (United States)

    Samart, Nuttaporn; Beuning, Cheryle N; Haller, Kenneth J; Rithner, Chris D; Crans, Debbie C

    2014-07-29

    Since membrane penetration is important for drug efficacy, how antimalarial precursor material 1-phenylbiguanide (PBG) interacts with an interface was characterized using a reverse micelle (RM) model system. (1)H NMR studies show that PBG partitions across the membrane interface. Specifically, the (1)H NMR studies showed that the 1-phenylbiguanide compound in an aqueous environment changed when placed near an interface. PBG is known to affect hydrogen bonding in water, and as the size of the RMs changes, the water organization in the water pool is changed. The NOESY spectrum of PBG in AOT RM contains cross-peak signals between the PBG protons and AOT protons, which is consistent with the penetration of the PBG into the interface. At the same time, there is a cross peak between the biguanide moiety and the HOD signal. This shows that these NH protons are near the HOD protons, placing the biguanide functional group in the water pool. Preliminary differential FTIR spectroscopic studies confirmed this location. In summary, we found that PBG interacts with different regions of the interface, with the phenyl group penetrating the hydrophobic interface while the biguanide remains in the water pool.

  14. 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

  15. 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)

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

    Science.gov (United States)

    Martinsson, Johan; Monteil, Guillaume; Sporre, Moa K.; Kaldal Hansen, Anne Maria; Kristensson, Adam; Eriksson Stenström, Kristina; Swietlicki, Erik; Glasius, Marianne

    2017-09-01

    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.

  17. 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.

  18. Myeloperoxidase - 463A variant reduces benzo(a)pyrene diol epoxide DNA adducts in skin of coal tar treated patients

    Energy Technology Data Exchange (ETDEWEB)

    Rojas, M.; Godschalk, R.; Alexandrov, K.; Cascorbi, I.; Kriek, E.; Ostertag, J.; Van Schooten, F.J.; Bartsch, H. [German Cancer Research Center, Heidelberg (Germany). Div. of Toxicology & Cancer Risk Factors

    2001-07-01

    The skin of atopic dermatitis patients provides an excellent model to study the role of inflammation in benzo(a)pyrene (BaP) activation, since these individuals are often topically treated with ointments containing high concentrations of BaP. The authors determined, by HPLC with fluorescence detection, the BaP diol epoxide (BPDE)-DNA adduct levels in human skin after topical treatment with coal tar and their modulation by the -453G into A myeloperoxidase (MPO) polymorphism, which reduces MPO mRNA expression. The data show for the first time: (i) the in vivo formation of BPDE-DNA adducts in human skin treated with coal tar; (ii) that the MPO-463AA/AG genotype reduced BPDE-DNA adduct levels in human skin.

  19. 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

  20. Modeling complex diffusion mechanisms in L1{sub 2}-structured compounds

    Energy Technology Data Exchange (ETDEWEB)

    Zacate, M. O., E-mail: zacatem1@nku.edu; Lape, M. [Northern Kentucky University, Department of Physics and Geology (United States); Stufflebeam, M.; Evenson, W. E. [Utah Valley University, College of Science and Health (United States)

    2010-04-15

    We report on a procedure developed to create stochastic models of hyperfine interactions for complex diffusion mechanisms and demonstrate its application to simulate perturbed angular correlation spectra for the divacancy and 6-jump cycle diffusion mechanisms in L1{sub 2}-structured compounds.

  1. 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...

  2. 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

  3. 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

  4. 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...

  5. Predictive Modeling of Flavor Compound Formation in the Maillard Reaction: A SWOT Analysis

    NARCIS (Netherlands)

    Boekel, van M.A.J.S.

    2010-01-01

    The importance of Maillard flavor compounds for food quality is undisputed, but we are far from being able to control such formation quantitatively in food processing. Kinetic models attempt to predict rates of formation as a function of temperature, pH, water activity/content, and chemical

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

    DEFF Research Database (Denmark)

    Trapp, Stefan

    2000-01-01

    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...

  7. Immunomodulatory effects of excretory/secretory compounds from Contracaecum osculatum larvae in a zebrafish inflammation model

    DEFF Research Database (Denmark)

    Mehrdana, Foojan; Kania, Per Walter; Nazemi, Sasan

    2017-01-01

    Excretory/secretory (ES) compounds isolated from third-stage larvae of the anisakid nematode Contracaecum osculatum parasitizing liver of Baltic cod were investigated for effects on immune gene expression in a zebrafish LPS-induced inflammation model. ES products containing a series of proteins, ...

  8. Fast pyrolysis in a novel wire-mesh reactor: decomposition of pine wood and model compounds

    NARCIS (Netherlands)

    Hoekstra, E.; van Swaaij, Willibrordus Petrus Maria; Kersten, Sascha R.A.; Hogendoorn, Kees

    2012-01-01

    In fast pyrolysis, biomass decomposition processes are followed by vapor phase reactions. Experimental results were obtained in a unique wire-mesh reactor using pine wood, KCl impregnated pine wood and several model compounds (cellulose, xylan, lignin, levoglucosan, glucose). The wire-mesh reactor

  9. Radiation-induced decomposition of the purine bases within DNA and related model compounds

    International Nuclear Information System (INIS)

    Cadet, J.; Berger, M.

    1985-01-01

    This survey focuses on recent developments in the radiation chemistry of purine bases in nucleic acids and related model compounds. Both direct and indirect effects of ionizing radiation are investigated with special emphasis on the structural characterization of the final decomposition products of nucleic acid components. Available assays for monitoring radiation-induced base lesions are critically reviewed. (author)

  10. 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.

  11. 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…

  12. Cigarette yields of tar and nicotine and markers of exposure to tobacco smoke.

    Science.gov (United States)

    Coultas, D B; Stidley, C A; Samet, J M

    1993-08-01

    Although cigarette yields of tar and nicotine have been declining since the early 1970s, little information is available for the general population on the consequences of their use on exposure to tobacco combustion products. In a population-based sample of 298 smokers, the majority of whom were Hispanic, we examined the relationships between yields of cigarettes currently smoked and levels of salivary cotinine and end-expired carbon monoxide. Spearman correlation coefficients between the current number of cigarettes smoked and cotinine (r = 0.52) or carbon monoxide (r = 0.51) were higher than correlations between the Federal Trade Commission (FTC) nicotine data and these same markers, 0.12 and 0.05, respectively. Correlations between FTC tar and carbon monoxide yields and the biologic markers were similarly weak. In multiple linear regression models, the current number of cigarettes smoked was the most important predictor of cotinine and carbon monoxide levels (p exposure to tobacco combustion products, subjects' reports of cigarette brand should not be used as a primary marker of exposure in epidemiologic investigations. Furthermore, smokers need to be advised about the limitations of cigarette yield information for predicting the potential for adverse health effects of smoking.

  13. Characterisation of dense non-aqueous phase liquids of coal tar using comprehensive two-dimensional gas chromatography coupled with time of flight mass spectrometry.

    Science.gov (United States)

    Gauchotte-Lindsay, Caroline; McGregor, Laura; Richards, Phil; Kerr, Stephanie; Glenn, Aliyssa; Thomas, Russell; Kalin, Robert

    2013-04-01

    Comprehensive two-dimensional gas chromatography (GCxGC) is a recently developed analytical technique in which two capillary columns with different stationary phases are placed in series enabling planar resolution of the analytes. The resolution power of GCxGC is one order of magnitude higher than that of one dimension gas chromatography. Because of its high resolution capacity, the use of GCxGC for complex environmental samples such as crude oils, petroleum derivatives and polychlorinated biphenyls mixtures has rapidly grown in recent years. We developed a one-step method for the forensic analysis of coal tar dense non-aqueous phase liquids (DNAPLs) from former manufactured gas plant (FMGP) sites. Coal tar is the by-product of the gasification of coal for heating and lighting and it is composed of thousands of organic and inorganic compounds. Before the boom of natural gases and oils, most towns and cities had one or several manufactured gas plants that have, in many cases, left a devastating environmental print due to coal tar contamination. The fate of coal tar DNAPLs, which can persist in the environment for more than a hundred years, is therefore of crucial interest. The presented analytical method consists of a unique clean-up/ extraction stage by pressurized liquid extraction and a single analysis of its organic chemical composition using GCxGC coupled with time of flight mass spectrometry (TOFMS). The chemical fingerprinting is further improved by derivatisation by N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) of the tar compounds containing -OH functions such as alcohols and carboxylic acids. We present here how, using the logical order of elution in GCxGC-TOFMS system, 1) the identification of never before observed -OH containing compounds is possible and 2) the isomeric selectivity of an oxidation reaction on a DNAPL sample can be revealed. Using samples collected at various FMGP sites, we demonstrate how this GCxGC method enables the simultaneous

  14. Turbine Fuels from Tar Sands Bitumen and Heavy Oil. Phase I. Preliminary Process Analysis.

    Science.gov (United States)

    1985-04-09

    JP-4, upgrading, refining, tar sands, bitumen, 21 04 05 heavy crude oil, hydrotreating , hydrocracking, hydrovisbreak 07 01 03 ina. delayed coking...significant reserves of coal , shale, heavy crudes, and tar sands. Coal , because it is more hydrogen deficient than either shale oil or bitumen, is more...Bitumen from Santa Rosa tar sands was processed in a single case study (Zi) of high severity two-stage residual oil hydrotreating . Low ash and low metals

  15. Hydrogen-rich syngas production and tar removal from biomass gasification using sacrificial tyre pyrolysis char

    OpenAIRE

    Al-Rahbi, AS; Williams, PT

    2017-01-01

    Carbonaceous materials have been proven to have a high catalytic activity for tar removal from the syngas produced from biomass gasification. The simultaneous reforming and gasification of pyrolysis gases and char could have a significant role in increasing the gas yield and decreasing the tar in the product syngas. This study investigates the use of tyre char as a catalyst for H2-rich syngas production and tar reduction during the pyrolysis-reforming of biomass using a two stage fixed bed re...

  16. Investigating Efficient Tar Management from Biomass and Waste to Energy Gasification Processes

    Science.gov (United States)

    2015-04-01

    tars or allow them to react excessively. A collet creates a minimal air leak path while the ball valve is opened and the probe is slid into...Heated Gravimetric Tar Sampling Probe. Figure 20 shows the actual heated probe along with the airlock system of the 2” ball valve and collet...FINAL REPORT Investigating Efficient Tar Management from Biomass and Waste to Energy Gasification Processes SERDP Project WP-2236 APRIL

  17. 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.

  18. Cleavage of C-O bonds in lignin model compounds catalyzed by methyldioxorhenium in homogeneous phase.

    Science.gov (United States)

    Harms, Reentje G; Markovits, Iulius I E; Drees, Markus; Herrmann, H C Mult Wolfgang A; Cokoja, Mirza; Kühn, Fritz E

    2014-02-01

    Methyldioxorhenium (MDO)-catalyzed C-O bond cleavage of a variety of lignin β-O-4-model compounds yields phenolic and aldehydic compounds in homogeneous phase under mild reaction conditions. MDO is in situ generated by reduction of methyltrioxorhenium (MTO) and is remarkably stable under the applied reaction conditions allowing its reuse for least five times without significant activity loss. Based on the observed and isolated intermediates, 17 O- and 2 H-isotope labeling experiments, DFT calculations, and several spectroscopic studies, a reaction mechanism is proposed. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. 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...

  20. Mass spectrometry of sulphur compounds as model substances for crude oil analysis - bisanellated thiophenes

    Energy Technology Data Exchange (ETDEWEB)

    Glinzer, O.; Severin, D.; Beduerftig, C.; Czogalla, C.D.; Puttins, U.

    1983-06-01

    Due to their usefulness as model substances for the analysis of sulphur compounds in high boiling crude oil fractions six bisanellated thiophenes were investigated with a mass spectrometer using 70 eV electron impact. The model substances are fully conjugated systems or contain two methylene groups. The spectra are interpreted for both neutral fragments and double-charged ions. Under electron impact, all thiophenes yield a high proportion of molecular ions and display characteristic fragmentation.

  1. 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.

  2. Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors

    Directory of Open Access Journals (Sweden)

    Grażyna Żydek

    2012-01-01

    Full Text Available A quantitative structure-activity relationship (QSAR study has been made on 20 compounds with serotonin (5-HT receptor affinity. Thin-layer chromatographic (TLC data and physicochemical parameters were applied in this study. RP2 TLC 60F254 plates (silanized impregnated with solutions of propionic acid, ethylbenzene, 4-ethylphenol, and propionamide (used as analogues of the key receptor amino acids and their mixtures (denoted as S1–S7 biochromatographic models were used in two developing phases as a model of drug-5-HT receptor interaction. The semiempirical method AM1 (HyperChem v. 7.0 program and ACD/Labs v. 8.0 program were employed to calculate a set of physicochemical parameters for the investigated compounds. Correlation and multiple linear regression analysis were used to search for the best QSAR equations. The correlations obtained for the compounds studied represent their interactions with the proposed biochromatographic models. The good multivariate relationships (R2=0.78–0.84 obtained by means of regression analysis can be used for predicting the quantitative effect of biological activity of different compounds with 5-HT receptor affinity. “Leave-one-out” (LOO and “leave-N-out” (LNO cross-validation methods were used to judge the predictive power of final regression equations.

  3. Modelling and measuring vapour-liquid equilibria for the removal of sulphur compounds

    Energy Technology Data Exchange (ETDEWEB)

    Sapei, E.

    2007-07-01

    Increasing concern about air pollution has led many countries to adopt more stringent regulations, which impose an ultra-low concentration of sulphur in gasoline. These regulations place many challenges for the refining industry. Lower sulphur levels are being recommended for gasoline and diesel for environmental reasons. New methods and innovations are required to further reduce the sulphur level in liquid fuels. Separation process design to accomplish the removal of sulphur compounds requires knowledge of the vapour-liquid equilibrium (VLE) of sulphur compounds with hydrocarbons, particularly their activity coefficients at infinite dilution. However, the investigations concerning the systems containing sulphur compounds are very limited. This thesis deals with the VLE measurements of selected sulphur compounds (1-propanethiol, diethyl sulphide, and thiophene) with various hydrocarbons (C{sub 6} to C{sub 8}) and 2-ethoxy-2-methylpropane (ETBE) under isobaric and isothermal conditions, using a circulation still and the infinite dilutions activity coefficients measurements of 1-propanethiol, ethyl methyl sulphide, and thiophene in toluene, n-heptane, and 2,2,4-trimethylpentane at 90 kPa using comparative ebulliometer techniques. The gamma-phi approach was used in the calculation of VLE. The activity coefficients of the liquid phase (gamma) were correlated with the Wilson model. The Wilson model gave a good correlation for all systems. The activity coefficients at infinite dilution (gammainfinity) were extrapolated from the VLE measurements with the Wilson model. The gammainfinity values of sulphur compounds for the systems thiophene + toluene and thiophene + 2,2,4-trimethylpentane obtained from the recirculation still measurements are compared with the gammainfinity values of sulphur compounds obtained from the comparative ebulliometer measurements. The agreement between the measurements is good. All the measured gammainfinity of sulphur compounds in hydrocarbons

  4. The influence of partial oxidation mechanisms on tar destruction in TwoStage biomass gasification

    DEFF Research Database (Denmark)

    Ahrenfeldt, Jesper; Egsgaard, Helge; Stelte, Wolfgang

    2013-01-01

    and conversion. The study identifies the following major impact factors regarding tar content in the producer gas: oxidation temperature, excess air ratio and biomass moisture content. In a experimental setup, wood pellets were pyrolyzed and the resulting pyrolysis gas was transferred in a heated partial...... tar destruction and a high moisture content of the biomass enhances the decomposition of phenol and inhibits the formation of naphthalene. This enhances tar conversion and gasification in the char-bed, and thus contributes in-directly to the tar destruction....

  5. Ethoxylation as aid to separate brown coal low-temperature carbonization tars and high-temperature tars. Die Aethoxylierung als Hilfsmittel zur Auftrennung von Braunkohlenschwel- und Hochtemperaturteeren

    Energy Technology Data Exchange (ETDEWEB)

    Vogts, A.

    1979-02-23

    This work describes the significance of brown coal tar as raw material source for chemical industry. 6% tar is yielded in low-temperature carbonization of brown coal as side product. This tar as opposed to bituminous coal tar does not occur as raw material in the Federal Republic of Germany. Numerous derivates are produced from brown coal low carbonization tar in central Germany. The paraffin, olefin and mining wax production is the main feature. Tar from brown coal of the Rhine is rich in creosotes, so classical physical separation processes cannot be applied here. One can react the creosotes with ethylene oxide and then separate off by extraction with water or decanting. Both methods are described and the ethoxylation conditions are shown. The paraffins and olefins obtained can be processed in a similar way to petroleum chemistry. The creosote polyglycol ethers produced in different molar ratios as intermediate and end products of coal chemistry are of increasing interest. Examples are given. Although one can hardly expect an increase of the occurrence of brown coal tar in the near future, its significance in view of the rediscovery of the possibilities of coal chemistry is increasing due the lack of petroleum.

  6. Models for the sorption of volatile organic compounds by diesel soot and atmospheric aerosols.

    Science.gov (United States)

    Atapattu, Sanka N; Poole, Colin F

    2009-04-01

    The solvation parameter model is used to characterize interactions responsible for the sorption of varied organic compounds by diesel soot and atmospheric aerosols at 15 degrees C and 50% relative humidity. Individual models are obtained for eight aerosol samples characterized as urban, suburban, rural and coastal. Combining the individual aerosol models resulted in a general aerosol model with only a minor loss of modeling power for alkanecarboxylic acids and low-molecular weight alcohols compared with the individual models. A second group of compounds identified as weak nitrogen-containing bases were consistent outliers to all models most likely due to participation in ion-exchange interactions not considered by the models. The diesel soot and atmospheric aerosols exhibit similar characteristics with respect to their sorption interactions although differences in relative magnitude allow the two particle types to be easily distinguished. Sorption interactions are favored by strong dispersion interactions for both particle types. Of note is the strong hydrogen-bond basicity and relatively weak hydrogen-bond acidity of these materials. The particles are quite dipolar/polarizable and slightly electron lone pair repulsive. The sorption properties of the atmospheric aerosols are influenced by the relative humidity, in particular, the aerosols become significantly more hydrogen-bond acidic at high relative humidity most likely due to incorporation of increasing amounts of condensed or film water in the aerosol phase. Dividing the data into training and test sets suggests that the proposed models are capable of estimating distribution constants (log K) to about 0.20 log units for diesel soot (n = 84) and 0.14 log units for the general atmospheric aerosol model (n = 385) where n indicates the number of compounds included in the model.

  7. Tumors and DNA adducts in mice exposed to benzo(a)pyrene and coal tars: implications for risk assessment

    Energy Technology Data Exchange (ETDEWEB)

    Goldstein, L.S.; Weyand, E.H.; Safe, S.; Steinberg, M.; Culp, S.J.; Gaylor, D.W.; Beland, F.A.; Rodriguez, L.V. [Electric Power Research Institute, Palo Alto, CA (United States)

    1998-12-01

    Current methods to estimate the quantitative cancer risk of complex mixtures of polycyclic aromatic hydrocarbons (PAH) such as coal tar assume that overall potency can be derived from knowledge of the concentration of a few carcinogenic components such as benzo(a)pyrene (B(a)P). Genotoxic damage, such as DNA adducts, is thought to be an essential aspect of PAH-induced tumorigenesis and could be a biomarker for exposure useful for estimating risk. However, the role of B(a)P and the relationship of adduct formation in tumorigenesis have not been tested rigorously in models appropriate for human health risk assessment. This paper compares tumor induction and adduct formation by B(a)P and coal tars in several experimental protocols, including one broadly accepted and used by regulators. It was found that B(a)P content did not account for tumor incidences after exposure to coal tars. DNA adducts were found in both tumors and tumor-free tissue and tumor outcomes were not predicted by either quantitation of total DNA adducts or by the DNA adduct formed by B(a)P. These data suggest that risk assessments based on B(a)P content may not predict accurately risk to human health posed by environmental PAH.

  8. Constraints of Compound Systems: Prerequisites for Thermodynamic Modeling Based on Shannon Entropy

    Directory of Open Access Journals (Sweden)

    Martin Pfleger

    2014-05-01

    Full Text Available Thermodynamic modeling of extensive systems usually implicitly assumes the additivity of entropy. Furthermore, if this modeling is based on the concept of Shannon entropy, additivity of the latter function must also be guaranteed. In this case, the constituents of a thermodynamic system are treated as subsystems of a compound system, and the Shannon entropy of the compound system must be subjected to constrained maximization. The scope of this paper is to clarify prerequisites for applying the concept of Shannon entropy and the maximum entropy principle to thermodynamic modeling of extensive systems. This is accomplished by investigating how the constraints of the compound system have to depend on mean values of the subsystems in order to ensure additivity. Two examples illustrate the basic ideas behind this approach, comprising the ideal gas model and condensed phase lattice systems as limiting cases of fluid phases. The paper is the first step towards developing a new approach for modeling interacting systems using the concept of Shannon entropy.

  9. 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...

  10. Survival prediction based on compound covariate under Cox proportional hazard models.

    Directory of Open Access Journals (Sweden)

    Takeshi Emura

    Full Text Available Survival prediction from a large number of covariates is a current focus of statistical and medical research. In this paper, we study a methodology known as the compound covariate prediction performed under univariate Cox proportional hazard models. We demonstrate via simulations and real data analysis that the compound covariate method generally competes well with ridge regression and Lasso methods, both already well-studied methods for predicting survival outcomes with a large number of covariates. Furthermore, we develop a refinement of the compound covariate method by incorporating likelihood information from multivariate Cox models. The new proposal is an adaptive method that borrows information contained in both the univariate and multivariate Cox regression estimators. We show that the new proposal has a theoretical justification from a statistical large sample theory and is naturally interpreted as a shrinkage-type estimator, a popular class of estimators in statistical literature. Two datasets, the primary biliary cirrhosis of the liver data and the non-small-cell lung cancer data, are used for illustration. The proposed method is implemented in R package "compound.Cox" available in CRAN at http://cran.r-project.org/.

  11. Survival prediction based on compound covariate under Cox proportional hazard models.

    Science.gov (United States)

    Emura, Takeshi; Chen, Yi-Hau; Chen, Hsuan-Yu

    2012-01-01

    Survival prediction from a large number of covariates is a current focus of statistical and medical research. In this paper, we study a methodology known as the compound covariate prediction performed under univariate Cox proportional hazard models. We demonstrate via simulations and real data analysis that the compound covariate method generally competes well with ridge regression and Lasso methods, both already well-studied methods for predicting survival outcomes with a large number of covariates. Furthermore, we develop a refinement of the compound covariate method by incorporating likelihood information from multivariate Cox models. The new proposal is an adaptive method that borrows information contained in both the univariate and multivariate Cox regression estimators. We show that the new proposal has a theoretical justification from a statistical large sample theory and is naturally interpreted as a shrinkage-type estimator, a popular class of estimators in statistical literature. Two datasets, the primary biliary cirrhosis of the liver data and the non-small-cell lung cancer data, are used for illustration. The proposed method is implemented in R package "compound.Cox" available in CRAN at http://cran.r-project.org/.

  12. 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.

  13. 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

  14. North Atlantic Coast Comprehensive Study (NACCS) Coastal Storm Model Simulations: Waves and Water Levels

    Science.gov (United States)

    2015-08-01

    Appendix E: Tar Ball Details .............................................................................................. 230 Appendix F: Model and...output files that are to be stored long term are compressed using gzip and then are combined ( tarred ) to- gether into a few tar ball files grouped in a...Appendix E: Tar Ball Details and Appendix F: Model and CSTORM File Descriptions, respectively. Files are stored by class/type, configuration, and run

  15. ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds.

    Science.gov (United States)

    González-Díaz, Humberto; Bonet, Isis; Terán, Carmen; De Clercq, Erik; Bello, Rafael; García, Maria M; Santana, Lourdes; Uriarte, Eugenio

    2007-05-01

    Developing a model for predicting anticancer activity of any classes of organic compounds based on molecular structure is very important goal for medicinal chemist. Different molecular descriptors can be used to solve this problem. Stochastic molecular descriptors so-called the MARCH-INSIDE approach, shown to be very successful in drug design. Nevertheless, the structural diversity of compounds is so vast that we may need non-linear models such as artificial neural networks (ANN) instead of linear ones. SmartMLP-ANN analysis used to model the anticancer activity of organic compounds has shown high average accuracy of 93.79% (train performance) and predictability of 90.88% (validation performance) for the 8:3-MLP topology with different training and predicting series. This ANN model favourably compares with respect to a previous linear discriminant analysis (LDA) model [H. González-Díaz et al., J. Mol. Model 9 (2003) 395] that showed only 80.49% of accuracy and 79.34% of predictability. The present SmartMLP approach employed shorter training times of only 10h while previous models give accuracies of 70-89% only after 25-46 h of training. In order to illustrate the practical use of the model in bioorganic medicinal chemistry, we report the in silico prediction, and in vitro evaluation of six new synthetic tegafur analogues having IC(50) values in a broad range between 37.1 and 138 microgmL(-1) for leukemia (L1210/0) and human T-lymphocyte (Molt4/C8, CEM/0) cells. Theoretical predictions coincide very well with experimental results.

  16. QSAR modeling of datasets with enantioselective compounds using chirality sensitive molecular descriptors.

    Science.gov (United States)

    Kovatcheva, A; Golbraikh, A; Oloff, S; Feng, J; Zheng, W; Tropsha, A

    2005-01-01

    Shape descriptors used in 3D QSAR studies naturally take into account chirality; however, for flexible and structurally diverse molecules such studies require extensive conformational searching and alignment. QSAR modeling studies of two datasets of fragrance compounds with complex stereochemistry using simple alignment-free chirality sensitive descriptors developed in our laboratories are presented. In the first investigation, 44 alpha-campholenic derivatives with sandalwood odor were represented as derivatives of several common structural templates with substituents numbered according to their relative spatial positions in the molecules. Both molecular and substituent descriptors were used as independent variables in MLR calculations, and the best model was characterized by the training set q2 of 0.79 and external test set r2 of 0.95. In the second study, several types of chirality descriptors were employed in combinatorial QSAR modeling of 98 ambergris fragrance compounds. Among 28 possible combinations of seven types of descriptors and four statistical modeling techniques, k nearest neighbor classification with CoMFA descriptors was initially found to generate the best models with the internal and external accuracies of 76 and 89%, respectively. The same dataset was then studied using novel atom pair chirality descriptors (cAP). The cAP are based on a modified definition of the atomic chirality, in which the seniority of the substituents is defined by their relative partial charge values: higher values correspond to higher seniorities. The resulting models were found to have higher predictive power than those developed with CoMFA descriptors; the best model was characterized by the internal and external accuracies of 82 and 94%, respectively. The success of modeling studies using simple alignment free chirality descriptors discussed in this paper suggests that they should be applied broadly to QSAR studies of many datasets when compound stereochemistry plays an

  17. 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...

  18. 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.

  19. 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.

  20. Environmental fate mechanisms influencing biological degradation of coal-tar derived polynuclear aromatic hydrocarbons in soil systems

    International Nuclear Information System (INIS)

    Smith, J.R.; Nakles, D.V.; Sherman, D.F.; Neuhauser, E.F.; Loehr, R.C.; Erickson, D.

    1989-01-01

    This paper discusses biodegradation, a technically viable and cost effective approach for the reduction and immobilization of polynuclear aromatic hydrocarbons (PAH) present in contaminated soils and sludges associated with coal-tar derived processes. While it is widely reported and accepted that PAH biodegradation in soil systems does occur, the specific controlling mechanisms are not entirely understood. One common observation among published reports is that the more soluble, lower molecular weight PAH compounds are biodegraded to a greater extent than the less soluble, higher molecular weight PAHs. The rate and extent to which PAHs are removed form soil/sludges is influenced by the combined and simultaneously occurring effects of volatilization, sorption and biological oxidation. The degree to which each of these three environmental fate mechanisms occurs is mainly influenced by the physical/chemical characteristics of the contaminated media, the physical/chemical characteristics of the specific PAH compounds, and the design and operation of the particular biological treatment process

  1. Chemotheraphy Efficiency of Phosphonium Heterocyclic Compounds with Pyrimidine Cycle in Models of Generalized Staph Infection

    Directory of Open Access Journals (Sweden)

    A.V. Humenna

    2016-02-01

    Full Text Available It was conducted the study of the effectiveness of chemotherapy with 2-phenyl-4-(1-pyrrolidinyl-6-izopropiltio-5-pyrimidyltriphenylphosphonium perchlorate, which refers to phosphonium heterocyclic compounds with pyrimidine cycle in the experiment on the model of generalized staph infection. The results were positive and they allow make a conclusion about the possibility of their use in clinical trials and develop promising antibacterial and antiseptic preparations on their basis.

  2. Azospirillum picis sp. nov., isolated from discarded tar.

    Science.gov (United States)

    Lin, S-Y; Young, C C; Hupfer, H; Siering, C; Arun, A B; Chen, W-M; Lai, W-A; Shen, F-T; Rekha, P D; Yassin, A F

    2009-04-01

    A polyphasic taxonomic study was performed on a pink-coloured unknown bacterium isolated from discarded road tar. Comparative analysis of the 16S rRNA gene sequence demonstrated that the isolate belongs phylogenetically to the genus Azospirillum with Azospirillum lipoferum, A. melinis and A. rugosum as its closest phylogenetic relatives (96.7, 96.6 and 96.6 % similarity to the respective type strains). The generic assignment was confirmed on the basis of chemotaxonomic data, which revealed a fatty acid profile characteristic for the genus Azospirillum, consisting of straight-chain saturated and unsaturated fatty acids, with C(18 : 1)omega7c as the major unsaturated non-hydroxylated fatty acid, and C(16 : 0) 3-OH as the major hydroxylated fatty acid, and a ubiquinone with ten isoprene units (Q-10) as the predominant respiratory quinone. On the basis of both the phenotypic and molecular genetic evidence, it is proposed that the unknown isolate should be classified within a novel species of the genus Azospirillum, for which the name Azospirillum picis sp. nov. is proposed. The type strain is IMMIB TAR-3(T) (=CCUG 55431(T) =DSM 19922(T)).

  3. Tar removal during the fluidized bed gasification of plastic waste.

    Science.gov (United States)

    Arena, Umberto; Zaccariello, Lucio; Mastellone, Maria Laura

    2009-02-01

    A recycled polyethylene was fed in a pilot plant bubbling fluidized bed gasifier, having an internal diameter of 0.381 m and a maximum feeding capacity of 90 kg/h. The experimental runs were carried out under various operating conditions: the bed temperature was kept at about 850 degrees C, the equivalence ratio varied between 0.2 and 0.35, the amount of bed material was between 131 and 215 kg, the fluidizing velocity was between 0.5 and 0.7 m/s, quartz sand and olivine were used as bed material, and air and steam were used as fluidizing reactants. The results confirm that the tar removal treatments applied inside the gasifier (primary methods) can eliminate or strongly reduce the need for a further downstream cleanup of the syngas. In particular, the utilization of a natural olivine as an in situ tar reduction agent remarkably improves the quality of the product gas, in terms of both high hydrogen volumetric fraction and larger syngas yield.

  4. 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.

  5. 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.;

  6. 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

  7. Analysis of phase transitions in spin-crossover compounds by using atom - phonon coupling model

    International Nuclear Information System (INIS)

    Gindulescu, A; Linares, J; Rotaru, A; Dimian, M; Nasser, J

    2011-01-01

    The spin - crossover compounds (SCO) have become of great interest recently due to their potential applications in memories, sensors, switches, and display devices. These materials are particularly interesting because upon application of heat, light, pressure or other physical stimulus, they feature a phase transition between a low-spin (LS) diamagnetic ground state and a high-spin (HS) paramagnetic state, accompanied in some cases by color change. The phase transition can be discontinuous (with hysteresis), in two steps or gradual. Our analysis is performed by using the atom - phonon coupling (APC) model which considers that neighboring molecules are connected through a spring characterized by an elastic constant depending on molecules electronic state. By associating a fictitious spin to each molecule that has -1 and +1 eigenvalues corresponding to LS and HS levels respectively, an Ising type model can be developed for the analysis of metastable states and phase transitions in spin-crossover compounds. This contribution is aimed at providing a review of our recent results in this area, as well as novel aspects related to SCO compounds behavior at low temperature. In the framework of the APC model, we will discuss about the existence of metastable and unstable states, phase transitions and hysteresis phenomena, as well as their dependence on sample size.

  8. The Chemical Composition and Physical Properties of the Light and Heavy Tar Resulted from Coconut Shell Pyrolysis

    Directory of Open Access Journals (Sweden)

    Uswatun Hasanah

    2012-10-01

    Full Text Available The tar resulted from pyrolysis of coconut shell is a waste. It is important to be clarified their chemical composition and physical properties in order to find out their feasibility as source of a fuel. This research was resulted two immiscible organic fractions, and these were further determined their physical properties such as water composition by using ASTM D-95 methods, ash composition (ASTM D-482, flash point C.O.C (ASTM D-92, kinematics of viscosity (ASTM D-445, and caloric valued using bomb calorimetric. In addition, tar composition was determined by gas chromatography-mass spectrometry (GCMS. The result provided oil which was categorized as light and heavy bio-oils. The light bio-oil has specific gravity 0.99, ash content 0.01%, kinematics viscosity 25.5 cSt, flash point <27 oC, pH 3 and heating value 10304 kcal/kg. On the other hand, heavy bio- oils gave specific gravity 1.13, ash 0.46%, kinematics viscosity 185 cSt, flash point 134 oC, pH 2.5 and heating value 6210 kcal/kg. Moreover, the light bio-oil contained 79 compounds which was composed of phenol 16.4%, hydrocarbon 12.4%, phenolic 27.6%, other oxygenated compounds 53.6%, and acetic acid 3%, meanwhile the heavy bio-oils contained of 18 compounds which was consisted of phenol 31.2%, lauric acid 6.0%, phenolic 27.6%, and other oxygenated compounds 35.3%, respectively. With this result, it was clarify that these bio-oils could not be used directly as a fuel for motor nor diesel machinery.

  9. 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.

  10. 40 CFR 61.132 - Standard: Process vessels, storage tanks, and tar-intercepting sumps.

    Science.gov (United States)

    2010-07-01

    ... process vessel, tar storage tank, and tar-intercepting sump to the gas collection system, gas distribution system, or other enclosed point in the by-product recovery process where the benzene in the gas will be... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Standard: Process vessels, storage...

  11. A baseline assessment of beach debris and tar contamination in Bonaire, Southeastern Caribbean

    NARCIS (Netherlands)

    Debrot, A.O.; Rijn, van J.; Bron, P.S.; Leon, R.

    2013-01-01

    Data on beach debris and tar contamination is provided for 21 natural beach sites in Bonaire, Southeastern Caribbean. Transects amounting to a combined length of 991 m were sampled March–May 2011 and a total of 8960 debris items were collected. Highest debris and tar contamination were found on the

  12. Tar Barreler’s Hump: An Unusual Presentation of a Posttraumatic Pseudolipoma

    Directory of Open Access Journals (Sweden)

    Babajide Olusola Olubaniyi

    2012-01-01

    Full Text Available This is an interesting paper of a 4 cm posttraumatic pseudolipoma on the back of the neck of an adult man who has participated in “tar barrel rolling” since adolescence. To the best of our knowledge, this is the first case of a pseudolipoma to be reported in the literature in association with tar barreling.

  13. 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

  14. 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.

    reasonably well with the observations. The present study confirms our view that the source of these tar balls is the accidental spills or tanker-wash along the international oil tanker route in the AS. A review of the global scenario of tar ball study is also...

  15. The distribution and behaviour of tar balls along the Israeli coast

    Science.gov (United States)

    Golik, Abraham

    1982-09-01

    A fortnightly sampling of tar balls on six beaches along the Israeli coastline between 14 April 1975 and 25 June 1976 showed that the mean content of tar during that period was 3625 g m -1 of beach front. The northern and central parts of the coast were significantly more polluted than the southern part. Between July 1975 and February 1976 the mean tar quantity decreased continuously from 5635 to 1344 g m -1. A comparison of tar quantities on the Israeli beaches with those of other beaches in the world showed that the Israeli beaches are more polluted than those of the west Atlantic coast, are as polluted as other beaches on the eastern coast of the Mediterranean Sea, and are less polluted than the beaches of Alexandria, Egypt, and Paphos, Cyprus. It is suggested that the tar content on the beach is related to the degree of oil pollution in the sea. The closer a beach is to an oil shipping lane or an oil dumping site, the heavier it is polluted. During storms, beach tar balls are pushed by the waves to the back of the beach or, in the case of a cliffed coast, are carried along the shore by the longshore current. When the tar balls reach a gap in the cliff (such as an estuary), they are carried inland by the storm waves. There the tar may become buried or dry, shrink and break into small particles which are then dispersed by the wind.

  16. 179 Extraction of Coal-tar Pitch by Supercritical Carbon Dioxide ...

    African Journals Online (AJOL)

    Meyer

    Tar is a black, viscous liquid, formed by condensation of gaseous products when using dry distillation. Pitch, the material that remains after the distillation of creosote, is an important precursor of carbon-based materials. The chemical composition of tar depends less on the nature of the material treated than on the conditions ...

  17. Gc/ms analysis of coal tar composition produced from coal

    African Journals Online (AJOL)

    produce gasoline, diesel oil, etc. Therefore, a detailed analytical study on the composition and chemical structure of coal tar will be advantageous to its processing and utilization, and enable it to be a chemical and power fuel materials of great value. Because of the complex characteristics of coal tar, most previous ...

  18. Evaluation of ocular irritancy of coal-tar dyes used in cosmetics employing reconstructed human cornea-like epithelium and short time exposure tests.

    Science.gov (United States)

    Lee, Miri; Nam, Ki Taek; Kim, Jungah; Lim, Song E; Yeon, Sang Hyeon; Lee, Buhyun; Lee, Joo Young; Lim, Kyung-Min

    2017-10-01

    Coal-tar dyes in cosmetics may elicit adverse effects in the skin and eyes. Countries, like the US, have banned the use of coal-tar dyes in cosmetics for the eye area due to the potential for ocular irritation. We evaluated the eye irritation potential of 15 coal-tar dyes permitted as cosmetic ingredients in reconstructed human cornea-like epithelium (RhCEs [EpiOcular™ and MCTT HCE™]) tests and the short time exposure (STE) test. Eosin YS, phloxine B, tetrachlorotetrabromofluorescein, and tetrabromofluorescein were identified as irritants in RhCEs; dibromofluorescein and uranine yielded discrepant results. STE enabled further classification in accordance with the UN Globally Harmonized System of Classification and Labelling of Chemicals, as follows: eosin YS as Cat 2; phloxine B, Cat 1; and tetrachlorotetrabromofluorescein and tetrabromofluorescein, Cat 1/2. STE indicated dibromofluorescein (irritant in EpiOcular™) and uranine (irritant in MCTT HCE™) as No Cat, resulting in the classification of "No prediction can be made." based on bottom-up approach with each model. These results demonstrated that in vitro eye irritation tests can be utilized to evaluate the potential ocular irritancy of cosmetic ingredients and provide significant evidence with which to determine whether precautions should be given for the use of coal-tar dyes in cosmetics or other substances applied to the eye area. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. The Legend of Hot Tar or Pitch as a Defensive Weapon

    DEFF Research Database (Denmark)

    Atzbach, Rainer

    2015-01-01

    In popular culture and even in academic discourse surrounding castles, hot tar pitch has been depicted as a widespread defensive weapon. The identification of "machicoulis" (machicolations) as an architectural provision for pouring down liquid tar pitch goes back to the early days of castle...... 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...

  20. 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

  1. 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.

  2. 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.

  3. 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

  4. Toxic volatile organic compounds in environmental tobacco smoke: Emission factors for modeling exposures of California populations

    Energy Technology Data Exchange (ETDEWEB)

    Daisey, J.M.; Mahanama, K.R.R.; Hodgson, A.T. [Lawrence Berkeley Lab., CA (United States)

    1994-10-01

    The primary objective of this study was to measure emission factors for selected toxic air contaminants in environmental tobacco smoke (ETS) using a room-sized environmental chamber. The emissions of 23 volatile organic compounds (VOCs), including, 1,3-butadiene, three aldehydes and two vapor-phase N-nitrosamines were determined for six commercial brands of cigarettes and reference cigarette 1R4F. The commercial brands were selected to represent 62.5% of the cigarettes smoked in California. For each brand, three cigarettes were machine smoked in the chamber. The experiments were conducted over four hours to investigate the effects of aging. Emission factors of the target compounds were also determined for sidestream smoke (SS). For almost all target compounds, the ETS emission factors were significantly higher than the corresponding SS values probably due to less favorable combustion conditions and wall losses in the SS apparatus. Where valid comparisons could be made, the ETS emission factors were generally in good agreement with the literature. Therefore, the ETS emission factors, rather than the SS values, are recommended for use in models to estimate population exposures from this source. The variabilities in the emission factors ({mu}g/cigarette) of the selected toxic air contaminants among brands, expressed as coefficients of variation, were 16 to 29%. Therefore, emissions among brands were Generally similar. Differences among brands were related to the smoked lengths of the cigarettes and the masses of consumed tobacco. Mentholation and whether a cigarette was classified as light or regular did not significantly affect emissions. Aging was determined not to be a significant factor for the target compounds. There were, however, deposition losses of the less volatile compounds to chamber surfaces.

  5. Development of models for prediction of the antioxidant activity of derivatives of natural compounds.

    Science.gov (United States)

    Martinčič, Rok; Kuzmanovski, Igor; Wagner, Alain; Novič, Marjana

    2015-04-08

    Antioxidants are important for maintaining the appropriate balance between oxidizing and reducing species in the body and thus preventing oxidative stress. Many natural compounds are being screened for their possible antioxidant activity. It was found that a mushroom pigment Norbadione A, which is a pulvinic acid derivative, shows an antioxidant activity; the same was found for other pulvinic acid derivatives and structurally related coumarines. Based on the results of in vitro studies performed on these compounds as a part of this study quantitative structure-activity relationship (QSAR) predictive models were constructed using multiple linear regression, counter-propagation artificial neural networks and support vector regression (SVR). The models have been developed in accordance with current QSAR guidelines, including the assessment of the models applicability domains. A new approach for the graphical evaluation of the applicability domain for SVR models is suggested. The developed models show sufficient predictive abilities for the screening of virtual libraries for new potential antioxidants. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Analytical modelling of stable isotope fractionation of volatile organic compounds in the unsaturated zone

    Science.gov (United States)

    Bouchard, Daniel; Cornaton, Fabien; Höhener, Patrick; Hunkeler, Daniel

    2011-01-01

    Analytical models were developed that simulate stable isotope ratios of volatile organic compounds (VOCs) near a point source contamination in the unsaturated zone. The models describe diffusive transport of VOCs, biodegradation and source ageing. The mass transport is governed by Fick's law for diffusion. The equation for reactive transport of VOCs in the soil gas phase was solved for different source geometries and for different boundary conditions. Model results were compared to experimental data from a one-dimensional laboratory column and a radial-symmetric field experiment. The comparison yielded a satisfying agreement. The model results clearly illustrate the significant isotope fractionation by gas phase diffusion under transient state conditions. This leads to an initial depletion of heavy isotopes with increasing distance from the source. The isotope evolution of the source is governed by the combined effects of isotope fractionation due to vaporisation, diffusion and biodegradation. The net effect can lead to an enrichment or depletion of the heavy isotope in the remaining organic phase, depending on the compound and element considered. Finally, the isotope evolution of molecules migrating away from the source and undergoing degradation is governed by a combined degradation and diffusion isotope effect. This suggests that, in the unsaturated zone, the interpretation of biodegradation of VOC based on isotopic data must always be based on a model combining gas phase diffusion and degradation.

  7. 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

  8. 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.

  9. 1,4-Dihydropyridine Derivatives: Dihydronicotinamide Analogues—Model Compounds Targeting Oxidative Stress

    Science.gov (United States)

    Velena, Astrida; Zarkovic, Neven; Gall Troselj, Koraljka; Bisenieks, Egils; Krauze, Aivars; Poikans, Janis; Duburs, Gunars

    2016-01-01

    Many 1,4-dihydropyridines (DHPs) possess redox properties. In this review DHPs are surveyed as protectors against oxidative stress (OS) and related disorders, considering the DHPs as specific group of potential antioxidants with bioprotective capacities. They have several peculiarities related to antioxidant activity (AOA). Several commercially available calcium antagonist, 1,4-DHP drugs, their metabolites, and calcium agonists were shown to express AOA. Synthesis, hydrogen donor properties, AOA, and methods and approaches used to reveal biological activities of various groups of 1,4-DHPs are presented. Examples of DHPs antioxidant activities and protective effects of DHPs against OS induced damage in low density lipoproteins (LDL), mitochondria, microsomes, isolated cells, and cell cultures are highlighted. Comparison of the AOA of different DHPs and other antioxidants is also given. According to the data presented, the DHPs might be considered as bellwether among synthetic compounds targeting OS and potential pharmacological model compounds targeting oxidative stress important for medicinal chemistry. PMID:26881016

  10. 1,4-Dihydropyridine Derivatives: Dihydronicotinamide Analogues—Model Compounds Targeting Oxidative Stress

    Directory of Open Access Journals (Sweden)

    Astrida Velena

    2016-01-01

    Full Text Available Many 1,4-dihydropyridines (DHPs possess redox properties. In this review DHPs are surveyed as protectors against oxidative stress (OS and related disorders, considering the DHPs as specific group of potential antioxidants with bioprotective capacities. They have several peculiarities related to antioxidant activity (AOA. Several commercially available calcium antagonist, 1,4-DHP drugs, their metabolites, and calcium agonists were shown to express AOA. Synthesis, hydrogen donor properties, AOA, and methods and approaches used to reveal biological activities of various groups of 1,4-DHPs are presented. Examples of DHPs antioxidant activities and protective effects of DHPs against OS induced damage in low density lipoproteins (LDL, mitochondria, microsomes, isolated cells, and cell cultures are highlighted. Comparison of the AOA of different DHPs and other antioxidants is also given. According to the data presented, the DHPs might be considered as bellwether among synthetic compounds targeting OS and potential pharmacological model compounds targeting oxidative stress important for medicinal chemistry.

  11. Debaryomyces hansenii strains differ in their production of flavor compounds in a cheese-surface model

    DEFF Research Database (Denmark)

    Gori, Klaus; Sørensen, Louise Marie; Petersen, Mikael Agerlin

    2012-01-01

    Flavor production among12 strains of Debaryomyces hansenii when grown on a simple cheese model mimicking a cheese surface was investigated by dynamic headspace sampling followed by gas chromatography-mass spectrometry. The present study confirmed that D. hansenii possess the ability to produce...... important cheese flavor compounds, primarily branched-chain aldehydes and alcohols, and thus important for the final cheese flavor. Quantification of representative aldehydes (2-Methylpropanal, 3-Methylbutanal) and alcohols (2-Methyl-1-propanol, 3-Methyl-1-butanol, and 3-Methyl-3-buten-1-ol) showed...... that the investigated D. hansenii strains varied significantly with respect to production of these flavor compounds. Contrary to the alcohols (2-Methyl-1-propanol,3-Methyl-1-butanol, and3-Methyl-3-buten-1-ol), the aldehydes (2-Methylpropanal, 3-Methylbutanal) were produced by the D. hansenii strains in concentrations...

  12. 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)

    Hilal, S H; Saravanaraj, A N; Carreira, L A

    2014-02-01

    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 aqueous pKa values, relative pKa values in the gas phase, and aqueous HLC for neutral compounds have been used to develop monopole interaction models that quantify the energy differences upon moving an ionic solute molecule from the gas phase to the liquid phase. Inter-molecular interaction energies were factored into mechanistic contributions of monopoles with polarizability, dipole, H-bonding, and resonance. The monopole ionic models were validated by a wide range of measured gas phase pKa data for 450 acidic compounds. The RMS deviation error and R(2) for the OH, SH, CO2 H, CH3 and NR2 acidic reaction centers (C) were 16.9 kcal/mol and 0.87, respectively. The calculated HLCs of ions were compared to the HLCs of 142 ions calculated by quantum mechanics. Effects of inter-molecular interaction of the monopoles with polarizability, dipole, H-bonding, and resonance on acidity of the solutes in the gas phase are discussed. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Effect of Organic Tin Compounds on Electric Properties of Model Membranes

    Energy Technology Data Exchange (ETDEWEB)

    Podolak, M.; Engel, G.; Man, D. [Inst. of Physics, Opole Univ., Opole (Poland)

    2006-05-15

    The objective of the present work was to investigate the effect of selected organic tin compounds and potassium chloride (used as a reference substance) on the trans-membrane electric voltage and electric resistance of model membranes, the latter being nitrocellulose filters impregnated with butylene ester of lauric acid. The increasing KCl concentration (in the measurement chambers) caused a rapid rise of the negative trans-membrane voltage, whose value stabilized afterwards. In the case of (C{sub 3}H{sub 7}){sub 3}SnCl an abrupt maximum of the negative voltage was observed followed by a monotonic drop to zero. In the case of highest concentrations of this compound the voltages, after having reached zero, changed their polarization to the opposite. Within the range of small concentrations two slight voltage maxima were observed. Non-ionic tin compounds like (CH{sub 3}){sub 4}Sn and (C{sub 2}H{sub 5}){sub 4}Sn had an insignificant influence on the electric properties of the studied membranes. (orig.)

  14. Phase partitioning modeling of ethanol, isopropanol, and methanol with BTEX compounds in water.

    Science.gov (United States)

    Lee, Kenneth Y

    2008-07-01

    This study investigates the equilibrium phase partitioning behavior of ethanol, isopropanol, and methanol in a two-phase liquid-liquid system consisting of water and an individual BTEX (Benzene, Toluene, Ethylbenzene, and Xylenes) compound. A previously developed computer program is enhanced to generate ternary phase diagrams for analysis of each three-component cosolvent-nonaqueous phase liquid (NAPL)-water mixture combination. The required activity coefficients are estimated using the UNIFAC (Universal Quasichemical Functional group Activity Coefficient) model. The UNIFAC-derived ternary phase diagrams generally show good agreement against published experimental data, and similar phase partitioning behavior is observed for every BTEX compound in the presence of the same cosolvent. Furthermore, a set of laboratory experiments is conducted to determine the maximum single-phase water content for every mixture combination considered in this study where the volume composition of the cosolvent and the NAPL components is a blend of 85% alcohol and 15% BTEX compound. Comparison of experimentally-derived maximum single-phase water contents against UNIFAC-derived results shows good agreement for mixtures containing ethanol and methanol, but relatively poor agreement for mixtures containing isopropanol.

  15. Phase partitioning modeling of ethanol, isopropanol, and methanol with BTEX compounds in water

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kenneth Y. [Department of Civil and Environmental Engineering, University of Massachusetts Lowell, 1 University Avenue, Lowell, MA 01854 (United States)], E-mail: kenneth_lee@uml.edu

    2008-07-15

    This study investigates the equilibrium phase partitioning behavior of ethanol, isopropanol, and methanol in a two-phase liquid-liquid system consisting of water and an individual BTEX (Benzene, Toluene, Ethylbenzene, and Xylenes) compound. A previously developed computer program is enhanced to generate ternary phase diagrams for analysis of each three-component cosolvent-nonaqueous phase liquid (NAPL)-water mixture combination. The required activity coefficients are estimated using the UNIFAC (Universal Quasichemical Functional group Activity Coefficient) model. The UNIFAC-derived ternary phase diagrams generally show good agreement against published experimental data, and similar phase partitioning behavior is observed for every BTEX compound in the presence of the same cosolvent. Furthermore, a set of laboratory experiments is conducted to determine the maximum single-phase water content for every mixture combination considered in this study where the volume composition of the cosolvent and the NAPL components is a blend of 85% alcohol and 15% BTEX compound. Comparison of experimentally-derived maximum single-phase water contents against UNIFAC-derived results shows good agreement for mixtures containing ethanol and methanol, but relatively poor agreement for mixtures containing isopropanol. - As a high-alcohol content fuel blend migrates through the subsurface and encounters water, phase partitioning of the mixture plays a critical role in the distribution and spreading of the pollutants.

  16. Laboratory testing and modeling to evaluate perfluorocarbon compounds as tracers in geothermal systems

    Energy Technology Data Exchange (ETDEWEB)

    Reimus, Paul W [Los Alamos National Laboratory

    2011-01-21

    The thermal stability and adsorption characteristics of three perfluorinated hydrocarbon compounds were evaluated under geothermal conditions to determine the potential to use these compounds as conservative or thermally-degrading tracers in Engineered (or Enhanced) Geothermal Systems (EGS). The three compounds tested were perfluorodimethyl-cyclobutane (PDCB), perfluoromethylcyclohexane (PMCH), and perfluorotrimethylcyclohexane (PTCH), which are collectively referred to as perfluorinated tracers, or PFTs. Two sets of duplicate tests were conducted in batch mode in gold-bag reactors, with one pair of reactors charged with a synthetic geothermal brine containing the PFTs and a second pair was charged with the brine-PFT mixture plus a mineral assemblage chosen to be representative of activated fractures in an EGS reservoir. A fifth reactor was charged with deionized water containing the three PFTs. The experiments were conducted at {approx}100 bar, with temperatures ranging from 230 C to 300 C. Semi-analytical and numerical modeling was also conducted to show how the PFTs could be used in conjunction with other tracers to interrogate surface area to volume ratios and temperature profiles in EGS reservoirs. Both single-well and cross-hole tracer tests are simulated to illustrate how different suites of tracers could be used to accomplish these objectives. The single-well tests are especially attractive for EGS applications because they allow the effectiveness of a stimulation to be evaluated without drilling a second well.

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. Phase Partitioning of Common Alcohols With BTEX Compounds in Water: Comparison Between Modeling and Experimental Results

    Science.gov (United States)

    Lee, K. Y.

    2007-12-01

    This study compares the modeling and experimental results on the equilibrium phase partitioning behavior of three common alcohols (ethanol, isopropanol, and methanol) in a two-phase system consisting of water and a BTEX compound. A previously developed computer program is used to generate ternary phase diagrams for each alcohol-water-NAPL mixture combination, where the required activity coefficients are estimated using the UNIFAC model. A set of laboratory experiments is conducted to determine the maximum single-phase water content for every alcohol-water-NAPL mixture combination considered in this study, where the initial volume composition is 85 percent alcohol and 15 percent NAPL. Comparison of experimental results against UNIFAC- derived modeling results shows good agreement for mixtures containing ethanol and methanol, but relatively poor agreement for mixtures containing isopropanol.

  2. Photoemission in the Anderson model for rare earth compounds with floating valences

    International Nuclear Information System (INIS)

    Frota, H.O. da.

    1985-01-01

    X-ray photoemission spectra (XPS) are calculated for the spin-degenerate Anderson model of valence fluctuation compounds. Based on the renormalization group technique originally introduced by Wilson to calculate the magnetic susceptibility for the Kondo model, the numerical calculation has uniform accuracy over the entire parameter space of the Anderson model; at any given photoelectron energy, a maximum error of 4% is estimated for the calculated photoemission current. The calculated spectra display two peaks associated with the two possible x-ray induced transitions between the n f = 0,1 or 2 occupations of the f-orbital: a first ionization peak corresponding to the n f = 2 → n f = 1 transition and a second ionization peak due to the n f 1 → n f = 0 transition. (author)

  3. 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)

  4. 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.

  5. Canada's toxic tar sands : the most destructive project on earth

    Energy Technology Data Exchange (ETDEWEB)

    Hatch, C.; Price, M. [Environmental Defence, Toronto, ON (Canada)

    2008-02-15

    This document addressed the environmental problems associated with tar sands development in Alberta, with particular reference to toxicity problems associated with global warming and the impending destruction of the boreal forest. The authors cautioned that the tar sand projects are highly destructive, leaving downstream toxics equivalent to that of a massive slow motion oil spill that has the potential to poison people. Negligent oversights by the government regarding the impact of tar sands development were also discussed, with reference to toxics on site; toxics downwind; and toxics down the pipe. The report also provided information on the future of tar sands development and global warming in Canada. It included a discussion of reverse alchemy; Canada's failed climate politics; a tar sands tax; and taking responsibility. Last, the report addressed toxic enforcement, including the Fisheries Act; Canadian Environmental Protection Act; Canadian Environmental Assessment Act; and Alberta law. It was concluded that while it is a stretch to believe the tar sands can truly be sustainable, there is a great deal that can be done to clean it up. The authors recommended that new tar sands approvals should wait until certain reform elements are implemented, such as passing a real carbon cap; using dry tailings; requiring wildlife offsets; cleaning up refineries and upgraders; ensuring Aboriginal control and benefit; and having regulation and independent monitoring. 104 refs., 6 figs.

  6. DETERMINATION OF WATER CONTENT IN PYROLYTIC TARS USING COULOMETRIC KARL-FISHER TITRATION

    Directory of Open Access Journals (Sweden)

    Lenka Jílková

    2017-02-01

    Full Text Available The liquid organic fraction of pyrolytic tar has a high energy value which makes possible its utilization as an energy source. However, before utilization, it is crucial to remove water from the liquid fraction. The presence of water reduces the energy value of pyrolytic tars. Water separation from the organic tar fraction is a complex process, since an emulsion can be readily formed. Therefore, after phase separation, it is important to know the residual water content in the organic phase and whether it is necessary to further dry it. The results presented in this manuscript focus on a water determination in liquid products from coal and biomass pyrolysis by a coulometric Karl‑Fischer titration. The Coulometric Karl‑Fischer titration is often used for a water content determination in gaseous, liquid and solid samples. However, to date, this titration method has not been used for a water determination in tars. A new water determination method, which has been tested on different types of tar, has been developed. The Coulometric Karl‑Fischer titration is suitable for tar samples with a water content not greater than 5 wt. %. The obtained experimental results indicate that the new introduced method can be used with a very good repeatability for a water content determination in tars.

  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. Processing of bituminous coal tar at high temperature with bituminous coal additive

    Energy Technology Data Exchange (ETDEWEB)

    von Hartmann, G.B.; Hupfer, H.; Leonhardt, P.

    1943-05-10

    In short tests, results of the effects of a bituminous coal addition to the processing of tar and pitch were obtainable. Coal used was that from the Heinitz Mines (Upper Silesian), saturated with 1--1.2% iron sulphate. On a mixture of bituminous coal tar residue and tar oil, with a relatively low level of solids and asphalt, a substitution was made for the addition of 2% alkalized iron-grude-catalyst with 20% coal. The same yield was reached using a straight-run procedure. The coal gave somewhat more gasification and additional asphalt in the sludge without increasing the solids content correspondingly. In spite of this, the carbonization results were somewhat improved, which led one to conclude that the coal addition fostered the decomposition of the tar asphalt, and, that the asphalt from the coal could be better carbonized than that out of the tar. One found, also, that the tar mixture with coal additive permitted trouble-free hydrogenation to gasoline and middle oil. Still another short test met with success. A bituminous coal tar pitch containing 24% benzene solids and 36% asphalt, which could not be processed with iron catalyst or even molybdenum-grude, was hydrogenated to gasoline and middle oil with a usable yield of .25 by a 20--25% addition of coal. Here too, the carbonization results were good. The addition of coal had no notable influence on the properties of the resulting oils. The document included test procedures. 11 tables.

  9. 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.

  10. 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...

  11. 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...... to coking and results in higher selectivity towards aromatics compared to conversion of pure methanol. The reaction pattern of the different oxygenates did not simply follow the effective H/C ratio of the additives since structural isomers with identical effective H/C ratios showed significant differences...

  12. Simulating Mechanical Behavior of a Tread Rubber Compound by a Hyperelastic/Hysteresis Model

    Directory of Open Access Journals (Sweden)

    Mir Hamid Reza Ghoreishy

    2013-01-01

    Full Text Available This research work is devoted to experimental and theoretical evaluations of a hybrid constitutive model which was designed to simulate the mechanical behavior of a tread rubber compound. The model is a combination of Yeoh hyperelastic model with a strain-rate hysteresis model developed by Bergstrom and Boyce. The parameters of the Yeoh model were calibrated from experimental data of the ASTM D-412 stress-strain test. Three rubber strip specimens with 11 cm length and 1, 2 and 3 cm widths were selected and simulated under tension using ABAQUS/Standard code. Comparison of the results with those obtained by experiments on the samples revealed that ignoring the viscoelasticity led to a signifcant error in prediction of the force-elongation behavior. Consequently, the simulations were repeated by using a hybrid model and the results showed that there were very good agreement between the experimental and simulated results. The model is also capable of calculating the dissipated energy which can be used for the prediction of temperature rise in rubber articles with dynamic loading.

  13. 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)

  14. 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.

  15. GC/MS analysis of coal tar composition produced from coal pyrolysis

    Directory of Open Access Journals (Sweden)

    Jianfang Jiang

    2007-08-01

    Full Text Available Coal tar is a significant product generated from coal pyrolysis. A detailed analytical study on its composition and chemical structure will be of great advantage to its further processing and utilization. Using a combined method of planigraphy-gas chromatograph/mass spectroscopy (GC/MS, this work presents a composition analysis on the coal tar generated in the experiment. The analysis gives a satisfactory result, which offers a referable theoretical foundation for the further processing and utilization of coal tar.

  16. 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)

  17. Modeling the effect of experimental variables on the in vitro permeation of six model compounds across porcine skin.

    Science.gov (United States)

    Karadzovska, Daniela; Brooks, James D; Riviere, Jim E

    2013-02-25

    A majority of quantitative structure-permeability relationships (QSPeRs) predict the permeability coefficient (k(p)) of compounds topically applied as infinite, saturated doses from water vehicles. Alternate delivery vehicles and other experimental variables are rarely incorporated in such models. This research presents the development and statistical validation of QSPeR models that incorporate the effects of penetrant, vehicle, and experimental conditions such as dose volume (finite/infinite), and saturation level (saturated/unsaturated). A composite parameter, a mixture factor (MF), was also included to account for the physicochemical properties of the compound/vehicle mixture components. The resultant models effectively described skin flux and absorption, identifying the summation of hydrogen bond acidity and basicity, excess molar refractivity, dose volume, saturation level, and vehicle as the most prominent factors influencing flux values. The main factors influencing absorption values were the summation of hydrogen bond basicity, dipolarity/polarizability, the McGowan characteristic volume, dose volume, saturation level, and vehicle. The same MF (inverse of the melting point) was considered suitable to describe both flux and absorption. For endpoints involving skin deposition, log propylene glycol solubility was a more suitable MF. Such models show potential for use in drug delivery and toxicology research, specifically in assessing percutaneous absorption data collected under different experimental conditions. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. 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

  19. 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.

  20. Biowaiver approach for biopharmaceutics classification system class 3 compound metformin hydrochloride using in silico modeling.

    Science.gov (United States)

    Crison, John R; Timmins, Peter; Keung, Anther; Upreti, Vijay V; Boulton, David W; Scheer, Barry J

    2012-05-01

    The dependency of metformin in vivo disposition on the rate and extent of dissolution was studied. The analysis includes the use of fundamental principles of drug input, permeability, and intestinal transit time within the framework of a compartmental absorption transit model to predict key pharmacokinetic (PK) parameters and then compare the results to clinical data. The simulations show that the maximum plasma concentration (C(max) ) and area under the curve (AUC) are not significantly affected when 100% of drug is released within 2 h of oral dosing, which was confirmed with corresponding human PK data. Furthermore, in vitro dissolution profiles measured in aqueous buffers at pH values of 1.2, 4.5, and 6.8 were slower than in vivo release profiles generated by deconvolution of metformin products that were bioequivalent. On the basis of this work, formulations of metformin that release 100% in vitro in a   time period equal to or less than two hours are indicated to be bioequivalent. The use of modeling offers a mechanistic-based approach for demonstrating acceptable bioperformance for metformin formulations without having to resort to in vivo bioequivalence studies and may be more robust than statistical comparison of in vitro release profiles. This work further provides a strategy for considering Biopharmaceutics Classification System (BCS) Class 3 compounds to be included under biowaiver guidelines as for BCS Class 1 compounds. Copyright © 2012 Wiley Periodicals, Inc.

  1. Conversion of lignin model compounds by Pseudomonas putida KT2440 and isolates from compost.

    Science.gov (United States)

    Ravi, Krithika; García-Hidalgo, Javier; Gorwa-Grauslund, Marie F; Lidén, Gunnar

    2017-06-01

    Starting from mature vegetable compost, four bacterial strains were selected using a lignin-rich medium. 16S ribosomal RNA identification of the isolates showed high score similarity with Pseudomonas spp. for three out of four isolates. Further characterization of growth on mixtures of six selected lignin model compounds (vanillin, vanillate, 4-hydroxybenzoate, p-coumarate, benzoate, and ferulate) was carried out with three of the Pseudomonas isolates and in addition with the strain Pseudomonas putida KT2440 from a culture collection. The specific growth rates on benzoate, p-coumarate, and 4-hydroxybenzoate were considerably higher (0.26-0.27 h -1 ) than those on ferulate and vanillate (0.21 and 0.22 h -1 ), as were the uptake rates. There was no direct growth of P. putida KT2440 on vanillin, but instead, vanillin was rapidly converted into vanillate at a rate of 4.87 mmol (g CDW  h) -1 after which the accumulated vanillate was taken up. The growth curve reflected a diauxic growth when mixtures of the model compounds were used as carbon source. Vanillin, 4-hydroxybenzoate, and benzoate were preferentially consumed first, whereas ferulate was always the last substrate to be taken in. These results contribute to a better understanding of the aromatic metabolism of P. putida in terms of growth and uptake rates, which will be helpful for the utilization of these bacteria as cell factories for upgrading lignin-derived mixtures of aromatic molecules.

  2. 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

  3. Stoichiometric modeling of oxidation of reduced inorganic sulfur compounds (Riscs) in Acidithiobacillus thiooxidans.

    Science.gov (United States)

    Bobadilla Fazzini, Roberto A; Cortés, Maria Paz; Padilla, Leandro; Maturana, Daniel; Budinich, Marko; Maass, Alejandro; Parada, Pilar

    2013-08-01

    The prokaryotic oxidation of reduced inorganic sulfur compounds (RISCs) is a topic of utmost importance from a biogeochemical and industrial perspective. Despite sulfur oxidizing bacterial activity is largely known, no quantitative approaches to biological RISCs oxidation have been made, gathering all the complex abiotic and enzymatic stoichiometry involved. Even though in the case of neutrophilic bacteria such as Paracoccus and Beggiatoa species the RISCs oxidation systems are well described, there is a lack of knowledge for acidophilic microorganisms. Here, we present the first experimentally validated stoichiometric model able to assess RISCs oxidation quantitatively in Acidithiobacillus thiooxidans (strain DSM 17318), the archetype of the sulfur oxidizing acidophilic chemolithoautotrophs. This model was built based on literature and genomic analysis, considering a widespread mix of formerly proposed RISCs oxidation models combined and evaluated experimentally. Thiosulfate partial oxidation by the Sox system (SoxABXYZ) was placed as central step of sulfur oxidation model, along with abiotic reactions. This model was coupled with a detailed stoichiometry of biomass production, providing accurate bacterial growth predictions. In silico deletion/inactivation highlights the role of sulfur dioxygenase as the main catalyzer and a moderate function of tetrathionate hydrolase in elemental sulfur catabolism, demonstrating that this model constitutes an advanced instrument for the optimization of At. thiooxidans biomass production with potential use in biohydrometallurgical and environmental applications. Copyright © 2013 Wiley Periodicals, Inc.

  4. 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.

  5. Asymptotic and numerical solutions for diffusion models for compounded risk reserves with dividend payments

    Directory of Open Access Journals (Sweden)

    C. L. Chang

    2004-03-01

    Full Text Available We study a family of diffusion models for compounded risk reserves which account for the investment income earned and for the inflation experienced on claim amounts. We are interested in the models in which the dividend payments are paid from the risk reserves. After defining the process of conditional probability in finite time, martingale theory turns the nonlinear stochastic differential equation to a special class of boundary value problems defined by a parabolic equation with a nonsmooth coefficient of the convection term. Based on the behavior of the total income flow, asymptotic and numerical methods are used to solve the special class of diffusion equations which govern the conditional ruin probability over finite time.

  6. Predicting trace organic compound attenuation by ozone oxidation: Development of indicator and surrogate models.

    Science.gov (United States)

    Park, Minkyu; Anumol, Tarun; Daniels, Kevin D; Wu, Shimin; Ziska, Austin D; Snyder, Shane A

    2017-08-01

    Ozone oxidation has been demonstrated to be an effective treatment process for the attenuation of trace organic compounds (TOrCs); however, predicting TOrC attenuation by ozone processes is challenging in wastewaters. Since ozone is rapidly consumed, determining the exposure times of ozone and hydroxyl radical proves to be difficult. As direct potable reuse schemes continue to gain traction, there is an increasing need for the development of real-time monitoring strategies for TOrC abatement in ozone oxidation processes. Hence, this study is primarily aimed at developing indicator and surrogate models for the prediction of TOrC attenuation by ozone oxidation. To this end, the second-order kinetic equations with a second-phase R ct value (ratio of hydroxyl radical exposure to molecular ozone exposure) were used to calculate comparative kinetics of TOrC attenuation and the reduction of indicator and spectroscopic surrogate parameters, including UV absorbance at 254 nm (UVA 254 ) and total fluorescence (TF). The developed indicator model using meprobamate as an indicator compound and the surrogate models with UVA 254 and TF exhibited good predictive power for the attenuation of 13 kinetically distinct TOrCs in five filtered and unfiltered wastewater effluents (R 2 values > 0.8). This study is intended to help provide a guideline for the implementation of indicator/surrogate models for real-time monitoring of TOrC abatement with ozone processes and integrate them into a regulatory framework in water reuse. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Modeling secondary organic aerosol formation through cloud processing of organic compounds

    Directory of Open Access Journals (Sweden)

    J. Chen

    2007-10-01

    Full Text Available Interest in the potential formation of secondary organic aerosol (SOA through reactions of organic compounds in condensed aqueous phases is growing. In this study, the potential formation of SOA from irreversible aqueous-phase reactions of organic species in clouds was investigated. A new proposed aqueous-phase chemistry mechanism (AqChem is coupled with the existing gas-phase Caltech Atmospheric Chemistry Mechanism (CACM and the Model to Predict the Multiphase Partitioning of Organics (MPMPO that simulate SOA formation. AqChem treats irreversible organic reactions that lead mainly to the formation of carboxylic acids, which are usually less volatile than the corresponding aldehydic compounds. Zero-dimensional model simulations were performed for tropospheric conditions with clouds present for three consecutive hours per day. Zero-dimensional model simulations show that 48-h average SOA formation is increased by 27% for a rural scenario with strong monoterpene emissions and 7% for an urban scenario with strong emissions of aromatic compounds, respectively, when irreversible organic reactions in clouds are considered. AqChem was also incorporated into the Community Multiscale Air Quality Model (CMAQ version 4.4 with CACM/MPMPO and applied to a previously studied photochemical episode (3–4 August 2004 focusing on the eastern United States. The CMAQ study indicates that the maximum contribution of SOA formation from irreversible reactions of organics in clouds is 0.28 μg m−3 for 24-h average concentrations and 0.60 μg m−3 for one-hour average concentrations at certain locations. On average, domain-wide surface SOA predictions for the episode are increased by 9% when irreversible, in-cloud processing of organics is considered. Because aldehydes of carbon number greater than four are assumed to convert fully to the corresponding carboxylic acids upon reaction with OH in cloud droplets and this assumption may overestimate

  8. VOLATILE ORGANIC COMPOUND EMISSIONS FROM LATEX PAINT-PART 2. TEST HOUSE STUDIES AND INDOOR AIR QUALITY (IAQ) MODELING

    Science.gov (United States)

    Emission models developed using small chamber data were combined with an Indoor Air Quality (IAQ) model to analyze the impact of volatile organic compound (VOC) emissions from latex paint on indoor environments. Test house experiments were conducted to verify the IAQ model's pred...

  9. 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.

  10. A Geometrical Model for Diffusion of Hydrophilic Compounds in Human Stratum Corneum.

    Science.gov (United States)

    Yu, Fang; Kasting, Gerald B

    2018-03-08

    A three-dimensional diffusion model with either hexagonal or cylindrical symmetry has been constructed to simulate desorption profiles of hydrophilic chemicals from the topmost layer of human skin (the stratum corneum) as measured in ex vivo studies. The tissue is pierced by skin appendages - sweat glands and hair follicles - which in this particular scenario are considered to be perfect sinks. Desorption profiles of nine test permeants covering a wide range of lipophilicity were analyzed. By optimizing transverse and lateral diffusion coefficients to match these profiles, it was found that the lateral diffusivity values exceeded the transverse values by average factors ranging from 45 (hexagon model) to 71 (cylinder model). However, transverse clearance exceeded lateral clearance by factors ranging from 8 to 27 (cylinder model); these values were strongly influenced by the thickness of the individual tissue samples, as expected. The results confirm the validity of earlier estimates of transverse diffusivity of hydrophilic compounds in human stratum corneum based on purely one-dimensional models. They furthermore confirm that transcellular transport is an important component of the stratum corneum's polar pathway, in addition to the already-recognized appendageal transport mechanism. Copyright © 2018. Published by Elsevier Inc.

  11. 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; Yi, Jongheop

    2012-01-01

    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. 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. 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. The extent of airborne exposure was clearly not the same as that for normal conditions.

  12. 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

  13. 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

  14. Thatcheri tütar avalikustas Raudse Leedi nõdrameelsuse / Sandra Maasalu

    Index Scriptorium Estoniae

    Maasalu, Sandra

    2008-01-01

    Ilmunud ka: Postimees : na russkom jazõke 26. aug. 2008, lk. 9. Suurbritannia endise peaministri Margaret Thatcheri tütar Carol Thatcher kirjutab peatselt ilmuvas mälestusteraamatus oma ema dementsusest

  15. Effect of shale-tar additives on the antiwear properties of motor oils

    Energy Technology Data Exchange (ETDEWEB)

    Zelenin, N.I.; Gulin, E.I.

    1975-01-01

    The wear of bushings was decreased by the addition of 3% ashless SP-2 (a shale tar fraction boiling 350 to 400/sup 0/C) to lubricating oils, which synergistically increased the antiwear properties of other additives in the oil.

  16. Tar ball frequency data and analytical results from a long-term beach monitoring program.

    Science.gov (United States)

    Owens, Edward H; Mauseth, Gary S; Martin, Colin A; Lamarche, Alain; Brown, John

    2002-08-01

    Following the spill of fuel oils from the New Carissa in February 1999, approximately 300 km of beaches on the Pacific coast of North America were surveyed. A long-term observation program focused on the documentation of stranded tar balls in the vicinity of the spill site. Systematic beach surveys which were conducted over the period March 1999 to April 2001 and semi-logarithmic scale, time-series plots proved the most useful format for identifying trends. Beach monitoring continued through to August 2001. by which time 212 tar balls had been analyzed by GC/MS for their chemical characteristics. The samples of tar balls collected between February 1999 and August 2001 were qualitatively compared with New Carissa source oils (NCSO) and 101 (48%) were not consistent with NSCO. The presence of tar balls that are not related to an incident can confound attempts to define cleanup or endpoint criteria and to assess possible injury to natural resources.

  17. Light absorption properties of laboratory generated tar ball particles

    Science.gov (United States)

    Hoffer, A.; Tóth, A.; Nyirő-Kósa, I.; Pósfai, M.; Gelencsér, A.

    2015-06-01

    Tar balls (TBs) are a specific particle type which is abundant in the global troposphere, in particular in biomass smoke plumes. These particles belong to the family of atmospheric brown carbon (BrC) which can absorb light in the visible range of the solar spectrum. Albeit TBs are typically present as individual particles in biomass smoke plumes, their absorption properties have been only indirectly inferred from field observations or calculations based on their electron energy-loss spectra. This is because in biomass smoke TBs coexist with various other particle types (e.g. organic particles with inorganic inclusions and soot, the latter is emitted mainly during flaming conditions) from which they cannot be physically separated; thus, a direct experimental determination of their absorption properties is not feasible. Very recently we have demonstrated that TBs can be generated in the laboratory from droplets of wood tar that resemble atmospheric TBs in all of their observed properties. As a follow-up study we have installed on-line instruments to our laboratory set-up generating pure TB particles to measure the absorption and scattering, as well as size distribution of the particles. In addition, samples were collected for transmission electron microscopy (TEM) and total carbon (TC) analysis. The effects of experimental parameters were also studied. The mass absorption coefficients of the laboratory generated TBs were found to be in the range of 0.8-3.0 m2 g-1 at 550 nm, with absorption Ångström exponents (AAE) between 2.7 and 3.4 (average 2.9) in the wavelength range 467-652 nm. The refractive index of TBs as derived from Mie calculations was about 1.84-0.21i at 550 nm. In the brown carbon continuum these values fall closer to those of soot than to other light-absorbing species such as humic-like substances (HULIS). Considering the abundance of TBs in biomass smoke and the global magnitude of biomass burning emissions, these findings may have substantial

  18. Light absorption properties of laboratory-generated tar ball particles

    Science.gov (United States)

    Hoffer, A.; Tóth, A.; Nyirő-Kósa, I.; Pósfai, M.; Gelencsér, A.

    2016-01-01

    Tar balls (TBs) are a specific particle type that is abundant in the global troposphere, in particular in biomass smoke plumes. These particles belong to the family of atmospheric brown carbon (BrC), which can absorb light in the visible range of the solar spectrum. Albeit TBs are typically present as individual particles in biomass smoke plumes, their absorption properties have been only indirectly inferred from field observations or calculations based on their electron energy-loss spectra. This is because in biomass smoke TBs coexist with various other particle types (e.g., organic particles with inorganic inclusions and soot, the latter emitted mainly during flaming conditions) from which they cannot be physically separated; thus, a direct experimental determination of their absorption properties is not feasible. Very recently we have demonstrated that TBs can be generated in the laboratory from droplets of wood tar that resemble atmospheric TBs in all of their observed properties. As a follow-up study, we have installed on-line instruments to our laboratory set-up, which generate pure TB particles to measure the absorption and scattering, as well as the size distribution of the particles. In addition, samples were collected for transmission electron microscopy (TEM) and total carbon (TC) analysis. The effects of experimental parameters were also studied. The mass absorption coefficients of the laboratory-generated TBs were found to be in the range of 0.8-3.0 m2 g-1 at 550 nm, with absorption Ångström exponents (AAE) between 2.7 and 3.4 (average 2.9) in the wavelength range 467-652 nm. The refractive index of TBs as derived from Mie calculations was about 1.84 - 0.21i at 550 nm. In the brown carbon continuum, these values fall closer to those of soot than to other light-absorbing species such as humic-like substances (HULIS). Considering the abundance of TBs in biomass smoke and the global magnitude of biomass burning emissions, these findings may have

  19. Light absorption properties of laboratory-generated tar ball particles

    Directory of Open Access Journals (Sweden)

    A. Hoffer

    2016-01-01

    Full Text Available Tar balls (TBs are a specific particle type that is abundant in the global troposphere, in particular in biomass smoke plumes. These particles belong to the family of atmospheric brown carbon (BrC, which can absorb light in the visible range of the solar spectrum. Albeit TBs are typically present as individual particles in biomass smoke plumes, their absorption properties have been only indirectly inferred from field observations or calculations based on their electron energy-loss spectra. This is because in biomass smoke TBs coexist with various other particle types (e.g., organic particles with inorganic inclusions and soot, the latter emitted mainly during flaming conditions from which they cannot be physically separated; thus, a direct experimental determination of their absorption properties is not feasible. Very recently we have demonstrated that TBs can be generated in the laboratory from droplets of wood tar that resemble atmospheric TBs in all of their observed properties. As a follow-up study, we have installed on-line instruments to our laboratory set-up, which generate pure TB particles to measure the absorption and scattering, as well as the size distribution of the particles. In addition, samples were collected for transmission electron microscopy (TEM and total carbon (TC analysis. The effects of experimental parameters were also studied. The mass absorption coefficients of the laboratory-generated TBs were found to be in the range of 0.8–3.0 m2 g−1 at 550 nm, with absorption Ångström exponents (AAE between 2.7 and 3.4 (average 2.9 in the wavelength range 467–652 nm. The refractive index of TBs as derived from Mie calculations was about 1.84 − 0.21i at 550 nm. In the brown carbon continuum, these values fall closer to those of soot than to other light-absorbing species such as humic-like substances (HULIS. Considering the abundance of TBs in biomass smoke and the global magnitude of biomass burning

  20. A systematic review of land use regression models for volatile organic compounds

    Science.gov (United States)

    Amini, Heresh; Yunesian, Masud; Hosseini, Vahid; Schindler, Christian; Henderson, Sarah B.; Künzli, Nino

    2017-12-01

    Various aspects of land use regression (LUR) models for volatile organic compounds (VOCs) were systematically reviewed. Sixteen studies were identified published between 2002 and 2017. Of these, six were conducted in Canada, five in the USA, two in Spain, and one each in Germany, Italy, and Iran. They were developed for 14 different individual VOCs or groupings: benzene; toluene; ethylbenzene; m-xylene; p-xylene; (m/p)-xylene; o-xylene; total BTEX; 1,3-butadiene; formaldehyde; n-hexane; total hydro carbons; styrene; and acrolein. The models were based on measurements ranging from 22 sites in El Paso (USA) to 179 sites in Tehran (Iran). Only four studies in Rome (Italy), Sabadell (Spain), Tehran, and Windsor (Canada) met the Cocheo's criterion of having at least one passive sampler per 3.4 km2 of study area. The range of R2 values across all models was from 0.26 for 1,3-butadiene in Dallas (USA) to 0.93 for benzene in El Paso. The average R2 values among two or more studies of the same VOCs were as follows: benzene (0.70); toluene (0.60); ethylbenzene (0.66); (m/p)-xylene (0.65); o-xylene (0.61); total BTEX (0.66); 1,3-butadiene (0.46); and formaldehyde (0.56). The common spatial predictors of studied VOC concentrations were dominated by traffic-related variables, but they also included proximity to ports in the USA, number of chimneys in Canada, altitude in Spain, northern latitudes in Italy, and proximity to sewage treatment plants and to gas filling stores in Iran. For the traffic-related variables, the review suggests that large buffers, up to 5,000 m, should be considered in large cities. Although most studies reported logical directions of association for predictors, some reported inconsistent results. Some studies included log-transformed predictors while others divided one variable by another. Only six studies provided the p-values of predictors. Future work may incorporate chemistry-transport models, satellite observations, meteorological variables

  1. 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.

  2. 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.

  3. The Allan variance in the presence of a compound Poisson process modelling clock frequency jumps

    Science.gov (United States)

    Formichella, Valerio

    2016-12-01

    Atomic clocks can be affected by frequency jumps occurring at random times and with a random amplitude. The frequency jumps degrade the clock stability and this is captured by the Allan variance. In this work we assume that the random jumps can be modelled by a compound Poisson process, independent of the other stochastic and deterministic processes affecting the clock stability. Then, we derive the analytical expression of the Allan variance of a jumping clock. We find that the analytical Allan variance does not depend on the actual shape of the jumps amplitude distribution, but only on its first and second moments, and its final form is the same as for a clock with a random walk of frequency and a frequency drift. We conclude that the Allan variance cannot distinguish between a compound Poisson process and a Wiener process, hence it may not be sufficient to correctly identify the fundamental noise processes affecting a clock. The result is general and applicable to any oscillator, whose frequency is affected by a jump process with the described statistics.

  4. Thermal Cracking of Tars in a Continuously Fed Reactor with Steam

    Science.gov (United States)

    2011-05-01

    Fluidized Bed using biomass 8 Tars  Mixture of organic components present in gasification product gas with high molecular weight hydrocarbons [MW...Disable sulfur removal systems FoulingPlugging [Ref. 3: Biomass Gasification – Tar and Particles in Product Gases Sampling and Analysis”, European...P., and Nussbaumer T., “Gas Cleaning Requirements for Internal Combustion Engine Applications of Fixed Bed Biomass Gasification ”, Biomass and

  5. 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.

  6. Human cystic and alveolar echinococcosis in the Tibet Autonomous Region (TAR), China.

    Science.gov (United States)

    Feng, X; Qi, X; Yang, L; Duan, X; Fang, B; Gongsang, Q; Bartholomot, B; Vuitton, D A; Wen, H; Craig, P S

    2015-11-01

    Human cystic echinococcosis (CE) is known to be endemic in the Tibet Autonomous Region (TAR), China; however, there is relatively little data from hospital records or community prevalence studies, and the situation regarding occurrence of human alveolar echinococcosis (AE) is unclear. Here we review the available reports about human echinococcosis in the seven prefectures of TAR. In addition, two pilot studies by mass screening using ultrasound (with serology) were undertaken (2006/7) in Dangxiong County of Lhasa Prefecture (north central TAR) and Dingqing County of Changdu Prefecture (eastern TAR). In Dangxiong County a prevalence of 9.9% (55/557) for human CE was obtained but no human AE cases were detected. By contrast, in Dingqing County (N= 232 persons screened), 11 CE cases (4.7%) and 12 AE cases (5.2%) (including one mixed CE and AE case) were diagnosed by ultrasound. Hospital records and published reports indicated that CE cases were recorded in all of seven prefectures in Tibet Autonomous Region, and AE cases in four prefectures. Incidence rates of human CE were estimated to range from 1.9 to 155 per 100,000 across the seven prefectures of TAR, with a regional incidence of 45.1 per 100,000. Incidence of AE was estimated to be between 0.6 and 2.8 cases per 100,000. Overall for TAR, human AE prevalence appeared relatively low; however, the pilot mass screening in Dingqing in eastern TAR indicated that human AE disease is a potential public health problem, possibly similar to that already well described in Tibetan communities bordering TAR in north-west Sichuan and south-west Qinghai provinces.

  7. 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 ...

  8. WOOD TAR IN THE DNIEPER AND ELBE COMMUNITIES: VI – II MILLENIUM BC

    OpenAIRE

    Pietrzak, Sławomir

    2012-01-01

    The study ‘Wood Tars in the Dnieper and Elbe Communities: 6th – 2nd Millenium BC’ is the first European monograph of its kind in the professional literature devoted to the general question of the craft technology and application of wood tars among proto-agrarian communities across the long line of the Neolithic, Eneolithic and beginning of the Bronze Age across the vast expanse of borderlands joining Eastern and Western Europe. The research for the purpose of this monograph ...

  9. Relationship between FTC 'tar' and urine mutagenicity in smokers of tobacco-burning or Eclipse cigarettes.

    Science.gov (United States)

    Bowman, Denise L; Smith, Carr J; Bombick, Betsy R; Avalos, Jerry T; Davis, Riley A; Morgan, Walter T; Doolittle, David J

    2002-11-26

    The US Federal Trade Commission (FTC) classifies domestic cigarettes into one of three 'tar' categories based on 'tar' and nicotine levels. The objective of the present study was to determine urine mutagenicity in groups of smokers of ultra-low 'tar' (ULT), full-flavor low 'tar' (FFLT) and full-flavor 'tar' (FF) filtered cigarettes after switching to primarily tobacco-heating Eclipse cigarettes. Sixty-seven smokers maintained a specified diet and consumed ad libitum their usual brands of cigarettes, switched to Eclipse, and switched back to their usual brands. Twenty-four hour urine samples were collected weekly, concentrated on XAD-2 resin, and tested in the Ames mutagenicity assay using bacterial strains TA98 and YG1024 with S9 metabolic activation. Daily consumption of cigarettes was not significantly different (at Pbrand smokers as measured by the more sensitive strain YG1024, although no significant differences (Pbrand FTC 'tar' categories as measured by strain TA98. The reduction in urinary mutagens in the more sensitive strain, YG1024, observed in ULT smokers as compared with higher 'tar' categories suggest reduced exposure to mutagens. Usual brand salivary cotinine in the ULT group was significantly lower (Pbrand. After switching to Eclipse, the following reductions in urinary mutagenicity were observed: ULT, 70.1+/-6.4% (TA98), 70.9+/-6.2% (YG1024); FFLT, 77.1+/-2.4% (TA98), 73.6+/-2.0% (YG1024); and FF, 76.1+/-3.5% (TA98), 71.4+/-4.0% (YG1024). Across all 'tar' categories, cigarette smokers experienced significant reductions (P<0.05) in urine mutagenicity, but not salivary cotinine, upon switching to Eclipse. The reduction in urine mutagenicity when smoking Eclipse provides supporting evidence that Eclipse may present less risk of cancer compared to cigarettes currently in the market.

  10. In situ hydrogenation of model compounds and raw bio-oil over Raney Ni catalyst

    International Nuclear Information System (INIS)

    Xu, Ying; Long, Jinxing; Liu, Qiying; Li, Yanbin; Wang, Chenguang; Zhang, Qi; Lv, Wei; Zhang, Xinghua; Qiu, Songbai; Wang, Tiejun; Ma, Longlong

    2015-01-01

    Graphical abstract: Over Raney Ni catalyst, the aqueous phase reforming (APR) of methanol could couple with the hydrogenation of the model compounds of bio-oil and the raw bio-oil. The hydrogen product from the APR of methanol could offer hydrogen source for the upgrading of the raw bio-oil. The main products of acetone and phenol were isopropanol and cyclohexanol. At 220 °C and 3 MPa, the conversion of acetone and phenol reached the highest point with 55.76% and 64.65% and the bio-oil was improved not only on the appearance but also on the composition significantly. The contents of ketone/aldehyde and organic acids decreased from 30.36% and 39.89% to 9.32% and 30.25% respectively. The contents of alcohols and esters increased from 8.89% and 4.9% to 16.33% and 20.53%. During the in situ hydrogenation process, hydrogenation and esterification were the main reactions in the bio-oil. - Highlights: • We proposed a novel hydrogenation method in mild condition without adding external hydrogen. • The methanol APR and hydrogenation of model compounds and the raw bio-oil could couple with each other. • The hydrogen generated in situ by the APR of methanol could be used for the hydrogenation of the raw bio oil. • After in situ hydrogenation, the appearance and composition of the bio oil was improved significantly. - Abstract: The conversion of renewable energy is one of the most important research fields. A novel upgrading method of bio-oil produced from fast pyrolysis of biomass was reported in the paper. Methanol, as hydrogenation liquid donor, was used in the hydrogenation process instead of hydrogen gas. The effects on the aqueous phase reforming (APR) of methanol and the in situ hydrogenation of model compounds (acetone and phenol) and bio-oil were investigated. The results showed that over Raney Ni catalyst, the in situ hydrogenation could couple with the APR of methanol. The conversions of acetone and phenol reached the highest point with 55.76% and 64

  11. 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.

  12. 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.

  13. Diagnosis of air quality through observation and modeling of volatile organic compounds (VOCs) as pollution tracers

    Science.gov (United States)

    Liu, Wen-Tzu; Hsieh, Hsin-Cheng; Chen, Sheng-Po; Chang, Julius S.; Lin, Neng-Huei; Chang, Chih-Chung; Wang, Jia-Lin

    2012-08-01

    This study used selected ambient volatile organic compounds (VOCs) as pollution tracers to study the effects of meteorology on air quality. A remote coastal site was chosen as a receptor to monitor pollutants transported upwind from urban traffic and industrial sources. Large concentration variability in VOC concentrations was observed at the coastal site due to rapid changes in meteorology, which caused periodic land-sea exchange of air masses. To assure the quality of the on-line measurements, uniform concentrations of chlorofluorocarbon-113 (CFC-113) were exploited as an internal check of the instrument's stability and the resulting data quality. A VOC speciated air quality model was employed to simulate both temporal and spatial distributions of VOC plumes. The model successfully captured the general features of the variations of toluene as a pollution tracer, which suggests that emissions and meteorology were reasonably well simulated in the model. Through validation by observation, the model can display both the temporal and spatial distribution of air pollutants in a dynamic manner. Thus, a more insightful understanding of how local air quality is affected by meteorology can be obtained.

  14. QSAR classification models for the screening of the endocrine-disrupting activity of perfluorinated compounds.

    Science.gov (United States)

    Kovarich, S; Papa, E; Li, J; Gramatica, P

    2012-01-01

    Perfluorinated compounds (PFCs) are a class of emerging pollutants still widely used in different materials as non-adhesives, waterproof fabrics, fire-fighting foams, etc. Their toxic effects include potential for endocrine-disrupting activity, but the amount of experimental data available for these pollutants is limited. The use of predictive strategies such as quantitative structure-activity relationships (QSARs) is recommended under the REACH regulation, to fill data gaps and to screen and prioritize chemicals for further experimentation, with a consequent reduction of costs and number of tested animals. In this study, local classification models for PFCs were developed to predict their T4-TTR (thyroxin-transthyretin) competing potency. The best models were selected by maximizing the sensitivity and external predictive ability. These models, characterized by robustness, good predictive power and a defined applicability domain, were applied to predict the activity of 33 other PFCs of environmental concern. Finally, classification models recently published by our research group for T4-TTR binding of brominated flame retardants and for estrogenic and anti-androgenic activity were applied to the studied perfluorinated chemicals to compare results and to further evaluate the potential for these PFCs to cause endocrine disruption.

  15. 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

  16. 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)

  17. Porous Carbon Nanofibers from Electrospun Biomass Tar/Polyacrylonitrile/Silver Hybrids as Antimicrobial Materials.

    Science.gov (United States)

    Song, Kunlin; Wu, Qinglin; Zhang, Zhen; Ren, Suxia; Lei, Tingzhou; Negulescu, Ioan I; Zhang, Quanguo

    2015-07-15

    A novel route to fabricate low-cost porous carbon nanofibers (CNFs) using biomass tar, polyacrylonitrile (PAN), and silver nanoparticles has been demonstrated through electrospinning and subsequent stabilization and carbonization processes. The continuous electrospun nanofibers had average diameters ranging from 392 to 903 nm. The addition of biomass tar resulted in increased fiber diameters, reduced thermal stabilities, and slowed cyclization reactions of PAN in the as-spun nanofibers. After stabilization and carbonization, the resultant CNFs showed more uniformly sized and reduced average diameters (226-507 nm) compared to as-spun nanofibers. The CNFs exhibited high specific surface area (>400 m(2)/g) and microporosity, attributed to the combined effects of phase separations of the tar and PAN and thermal decompositions of tar components. These pore characteristics increased the exposures and contacts of silver nanoparticles to the bacteria including Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli, leading to excellent antimicrobial performances of as-spun nanofibers and CNFs. A new strategy is thus provided for utilizing biomass tar as a low-cost precursor to prepare functional CNFs and reduce environmental pollutions associated with direct disposal of tar as an industrial waste.

  18. Optical, physical, and chemical properties of tar balls observed during the Yosemite Aerosol Characterization Study

    Science.gov (United States)

    Hand, J. L.; Malm, W. C.; Laskin, A.; Day, D.; Lee, T.; Wang, C.; Carrico, C.; Carrillo, J.; Cowin, J. P.; Collett, J.; Iedema, M. J.

    2005-11-01

    The Yosemite Aerosol Characterization Study of summer 2002 (YACS) occurred during an active fire season in the western United States and provided an opportunity to investigate many unresolved issues related to the radiative effects of biomass burning aerosols. Single particle analysis was performed on field-collected aerosol samples using an array of electron microscopy techniques. Amorphous carbon spheres, or "tar balls," were present in samples collected during episodes of high particle light scattering coefficients that occurred during the peak of a smoke/haze event. The highest concentrations of light-absorbing carbon from a dual-wavelength aethalometer (λ = 370 and 880 nm) occurred during periods when the particles were predominantly tar balls, indicating they do absorb light in the UV and near-IR range of the solar spectrum. Closure experiments of mass concentrations and light scattering coefficients during periods dominated by tar balls did not require any distinct assumptions of organic carbon molecular weight correction factors, density, or refractive index compared to periods dominated by other types of organic carbon aerosols. Measurements of the hygroscopic behavior of tar balls using an environmental SEM indicate that tar balls do not exhibit deliquescence but do uptake some water at high (˜83%) relative humidity. The ability of tar balls to efficiently scatter and absorb light and to absorb water has important implications for their role in regional haze and climate forcing.

  19. Reduced tar, nicotine, and carbon monoxide exposure while smoking ultralow- but not low-yield cigarettes.

    Science.gov (United States)

    Benowitz, N L; Jacob, P; Yu, L; Talcott, R; Hall, S; Jones, R T

    1986-07-11

    An unresolved public health issue is whether some modern cigarettes are less hazardous than others and whether patients who cannot stop smoking should be advised to switch to lower-yield cigarettes. We studied "tar" (estimated by urine mutagenicity), nicotine, and carbon monoxide exposure in habitual smokers switched from their usual brand to high- (15 mg of tar), low- (5 mg of tar), or ultralow-yield (1 mg of tar) cigarettes. There were no differences in exposure comparing high- or low-yield cigarettes, but tar and nicotine exposures were reduced by 49% and 56%, respectively, and carbon monoxide exposure by 36% while smoking ultralow-yield cigarettes. Similarly, in 248 subjects smoking their self-selected brand, nicotine intake, estimated by blood concentrations of its metabolite cotinine, was 40% lower in those who smoked ultralow but no different in those smoking higher yields of cigarettes. Our data indicate that ultralow-yield cigarettes do deliver substantial doses of tar, nicotine, and carbon monoxide, but that exposures are considerably less than for other cigarettes.

  20. Effect of filter vent blocking on carbon monoxide exposure from selected lower tar cigarette brands.

    Science.gov (United States)

    Sweeney, C T; Kozlowski, L T; Parsa, P

    1999-05-01

    Two studies were conducted to determine the effect of blocking filter vents on carbon monoxide (CO) exposure under ad lib smoking conditions. In Study 1, 12 daily cigarette smokers smoked cigarettes from the brands Now (1 mg tar by the FTC Method) and Marlboro Lights (10 mg tar) under each of two vent-blocking conditions (unblocked and finger blocked). Blocking filter vents with fingers led to an 85% increase in CO for the brand Now, but had no added effect on CO exposure from the Marlboro Lights. In Study 2, another 12 daily cigarette smokers smoked cigarettes from each of four additional brands: Carlton (1 mg tar), Now (2 mg tar), Virginia Slims Ultra-lights (5 mg tar), and Virginia Slims Lights (8 mg tar). Blocking filter vents with the lips caused all four brands to produce equal CO exposures. Blocking vents increased smokers' exposure to CO by 239% when smoking Carltons and by 44% when smoking Nows. No significant increases in CO with blocking were found for either of the Virginia Slims brands. These results suggest that the degree to which a brand is ventilated determines whether that brand is susceptible to increased CO yields as a result of vent blocking.

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

    Science.gov (United States)

    Zargarian, Loussiné; Kanevsky, Igor; Bazzi, Ali; Boynard, Jonathan; Chaminade, Françoise; Fossé, 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 loops is stable, but that the lower stem of mini-cTAR is unstable. The residues of the internal loop undergo slow motions at the NMR time-scale that are consistent with conformational exchange phenomena. In contrast, residues of the apical loop undergo fast motions. The lower stem is destabilized by the slow interconversion processes in the internal loop, and thus the internal loop is responsible for asymmetric destabilization of mini-cTAR. These findings are consistent with the functions of cTAR in first strand transfer: its apical loop is suitably exposed to interact with the apical loop of TAR RNA and its lower stem is significantly destabilized to facilitate the subsequent action of the nucleocapsid protein which promotes the annealing reaction. PMID:19417069

  2. 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.

  3. 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.

  4. 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)

  5. 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)

  6. Preparation and properties of dough-modeling compound/fly ash/reclaim powder composites

    Energy Technology Data Exchange (ETDEWEB)

    Wu, W.L. [Qiqihar University, Qiqihar (China)

    2007-12-15

    A novel composite was prepared with reclaim powder (RP) matrix, dough-modeling compound (DMC) reinforcement and fly ash (FA) filler in this article. The compatibility and crosslinking construction of the FA/RP composites were respectively, studied by the polarizing microscope and IR, the optimal formulation and experimental process were determined by measuring the mechanical properties such as shore A hardness, tensile strength, elongation at break, wear resistance and the thermal stability. The results showed that DMC/FA/RP composites exhibited extremely high mechanical and thermal properties when the mass ratio of the DMC/FA/RP composites was 45/25/100, and the cure condition is at 145 {sup o}C for 30 min under 9 MPa.

  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

    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

  9. Pharmacological characterisation of anti-inflammatory compounds in acute and chronic mouse models of cigarette smoke-induced inflammation

    Directory of Open Access Journals (Sweden)

    Mok Joanie

    2010-09-01

    Full Text Available Abstract Background Candidate compounds being developed to treat chronic obstructive pulmonary disease are typically assessed using either acute or chronic mouse smoking models; however, in both systems compounds have almost always been administered prophylactically. Our aim was to determine whether the prophylactic effects of reference anti-inflammatory compounds in acute mouse smoking models reflected their therapeutic effects in (more clinically relevant chronic systems. Methods To do this, we started by examining the type of inflammatory cell infiltrate which occurred after acute (3 days or chronic (12 weeks cigarette smoke exposure (CSE using female, C57BL/6 mice (n = 7-10. To compare the effects of anti-inflammatory compounds in these models, mice were exposed to either 3 days of CSE concomitant with compound dosing or 14 weeks of CSE with dosing beginning after week 12. Budesonide (1 mg kg-1; i.n., q.d., roflumilast (3 mg kg-1; p.o., q.d. and fluvastatin (2 mg kg-1; p.o., b.i.d. were dosed 1 h before (and 5 h after for fluvastatin CSE. These dose levels were selected because they have previously been shown to be efficacious in mouse models of lung inflammation. Bronchoalveolar lavage fluid (BALF leukocyte number was the primary endpoint in both models as this is also a primary endpoint in early clinical studies. Results To start, we confirmed that the inflammatory phenotypes were different after acute (3 days versus chronic (12 weeks CSE. The inflammation in the acute systems was predominantly neutrophilic, while in the more chronic CSE systems BALF neutrophils (PMNs, macrophage and lymphocyte numbers were all increased (p Conclusions These results demonstrate that the acute, prophylactic systems can be used to identify compounds with therapeutic potential, but may not predict a compound's efficacy in chronic smoke exposure models.

  10. 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.

  11. Explicit solvation effects on the conventional resonance model for protonated imine, carbonyl, and thiocarbonyl compounds

    Science.gov (United States)

    Braïda, Benoît; Hiberty, Philippe C.

    The conventional resonance model describes carbonyls, imines, and thiocarbonyls, as well as their protonated analogues, by a superposition of two valence bond structures. Ab initio Breathing-Orbital Valence Bond computations on formaldehyde, formimine, and thioformaldehyde as well as their protonated forms are performed to directly quantify the weights of their valence bond structures. Following a gas phase study that showed that protonation significantly increases the weight of the carbenic form relative to the π polar-covalent bonded form (Braida, et al., Org Lett, 2008, 10, 1951), the present work estimates the influence of a polar protic solvent, modelized by water. Solvation effects are modeled explicitly by performing VB calculations on supersystems made of the organic substrate surrounded by four water molecules. It is shown that protonation significantly increases the polarity of the C=X π bond in all three cases (X = O, NH, S) in solvated phase, in line with the known acceleration of nucleophilic additions on these compounds by acidic catalysis. Moreover, solvation significantly enhances the polarity of the C=X π bond in the protonated forms of formaldehyde and thioformaldehyde, but has practically no effect on the C=X π bond of protonated formimine.

  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. 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.

  14. The usual suspects-influence of physicochemical properties on lag time, skin deposition, and percutaneous penetration of nine model compounds

    DEFF Research Database (Denmark)

    Bo Nielsen, Jesper; Sørensen, Jens Ahm; Nielsen, Flemming

    2009-01-01

    The influence of physicochemical properties of nine model compounds on lag time, skin deposition, and percutaneous penetration was evaluated. Static diffusion cells mounted with human skin were used as the experimental model, and experiments were carried out in accordance with Organization for Ec...

  15. 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

  16. 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.

  17. 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...

  18. A curved multi-component aerosol hygroscopicity model framework: Part 2 – Including organic compounds

    Directory of Open Access Journals (Sweden)

    D. O. Topping

    2005-01-01

    Full Text Available This paper describes the inclusion of organic particulate material within the Aerosol Diameter Dependent Equilibrium Model (ADDEM framework described in the companion paper applied to inorganic aerosol components. The performance of ADDEM is analysed in terms of its capability to reproduce the behaviour of various organic and mixed inorganic/organic systems using recently published bulk data. Within the modelling architecture already described two separate thermodynamic models are coupled in an additive approach and combined with a method for solving the Kohler equation in order to develop a tool for predicting the water content associated with an aerosol of known inorganic/organic composition and dry size. For development of the organic module, the widely used group contribution method UNIFAC is employed to explicitly deal with the non-ideality in solution. The UNIFAC predictions for components of atmospheric importance were improved considerably by using revised interaction parameters derived from electro-dynamic balance studies. Using such parameters, the model was found to adequately describe mixed systems including 5–6 dicarboxylic acids, down to low relative humidity conditions. By comparison with electrodynamic balance data, it was also found that the model was capable of capturing the behaviour of aqueous aerosols containing Suwannee River Fulvic acid, a structure previously used to represent the functionality of complex oxidised macromolecules often found in atmospheric aerosols. The additive approach for modelling mixed inorganic/organic systems worked well for a variety of mixtures. As expected, deviations between model predictions and measurements increase with increasing concentration. Available surface tension models, used in evaluating the Kelvin term, were found to reproduce measured data with varying success. Deviations from experimental data increased with increased organic compound complexity. For components only slightly

  19. A curved multi-component aerosol hygroscopicity model framework: Part 2 Including organic compounds

    Science.gov (United States)

    Topping, D. O.; McFiggans, G. B.; Coe, H.

    2005-05-01

    This paper describes the inclusion of organic particulate material within the Aerosol Diameter Dependent Equilibrium Model (ADDEM) framework described in the companion paper applied to inorganic aerosol components. The performance of ADDEM is analysed in terms of its capability to reproduce the behaviour of various organic and mixed inorganic/organic systems using recently published bulk data. Within the modelling architecture already described two separate thermodynamic models are coupled in an additive approach and combined with a method for solving the Kohler equation in order to develop a tool for predicting the water content associated with an aerosol of known inorganic/organic composition and dry size. For development of the organic module, the widely used group contribution method UNIFAC is employed to explicitly deal with the non-ideality in solution. The UNIFAC predictions for components of atmospheric importance were improved considerably by using revised interaction parameters derived from electro-dynamic balance studies. Using such parameters, the model was found to adequately describe mixed systems including 5-6 dicarboxylic acids, down to low relative humidity conditions. By comparison with electrodynamic balance data, it was also found that the model was capable of capturing the behaviour of aqueous aerosols containing Suwannee River Fulvic acid, a structure previously used to represent the functionality of complex oxidised macromolecules often found in atmospheric aerosols. The additive approach for modelling mixed inorganic/organic systems worked well for a variety of mixtures. As expected, deviations between model predictions and measurements increase with increasing concentration. Available surface tension models, used in evaluating the Kelvin term, were found to reproduce measured data with varying success. Deviations from experimental data increased with increased organic compound complexity. For components only slightly soluble in water

  20. A Mulitivariate Statistical Model Describing the Compound Nature of Soil Moisture Drought

    Science.gov (United States)

    Manning, Colin; Widmann, Martin; Bevacqua, Emanuele; Maraun, Douglas; Van Loon, Anne; Vrac, Mathieu

    2017-04-01

    Soil moisture in Europe acts to partition incoming energy into sensible and latent heat fluxes, thereby exerting a large influence on temperature variability. Soil moisture is predominantly controlled by precipitation and evapotranspiration. When these meteorological variables are accumulated over different timescales, their joint multivariate distribution and dependence structure can be used to provide information of soil moisture. We therefore consider soil moisture drought as a compound event of meteorological drought (deficits of precipitation) and heat waves, or more specifically, periods of high Potential Evapotraspiration (PET). We present here a statistical model of soil moisture based on Pair Copula Constructions (PCC) that can describe the dependence amongst soil moisture and its contributing meteorological variables. The model is designed in such a way that it can account for concurrences of meteorological drought and heat waves and describe the dependence between these conditions at a local level. The model is composed of four variables; daily soil moisture (h); a short term and a long term accumulated precipitation variable (Y1 and Y_2) that account for the propagation of meteorological drought to soil moisture drought; and accumulated PET (Y_3), calculated using the Penman Monteith equation, which can represent the effect of a heat wave on soil conditions. Copula are multivariate distribution functions that allow one to model the dependence structure of given variables separately from their marginal behaviour. PCCs then allow in theory for the formulation of a multivariate distribution of any dimension where the multivariate distribution is decomposed into a product of marginal probability density functions and two-dimensional copula, of which some are conditional. We apply PCC here in such a way that allows us to provide estimates of h and their uncertainty through conditioning on the Y in the form h=h|y_1,y_2,y_3 (1) Applying the model to various

  1. 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.

  2. 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

  3. A comparative study of longitudinal dispersion models in rigid vegetated compound meandering channels.

    Science.gov (United States)

    Farzadkhoo, Maryam; Keshavarzi, Alireza; Hamidifar, Hossein; Javan, Mahmood

    2018-03-26

    Releasing and mixing of pollutants in rivers can cause serious threats for downstream users. Longitudinal dispersion is an important factor in describing pollutant transport process in rivers. The focus of this study is on the effect of floodplain rigid vegetation characteristics including its arrangement, density and relative depth (the ratio of the flow depth in the main channel to that over floodplain) on flow and longitudinal dispersion coefficient in a meandering channel with compound cross section. Digital image processing technique was used to measure the tracer concentration. Sequential images were continuously captured at seven sections downstream of release point. PVC cylinders were installed over the floodplain to simulate rigid vegetation in tandem and random arrangements. Acoustic Doppler Velocimeter (Micro-ADV) was used to measure 3-D velocity components. The results showed that roughening the flood plain with stems increases the longitudinal flow velocity and Reynolds shear stress in the main channel, while these parameters decrease in the flood plain compared to non-vegetated cases. As a result, in the presence of rigid vegetation, the travel time decreases in the main channel up to 20% compared to non-vegetated conditions. As the relative flow depth increases, the dimensionless longitudinal dispersion coefficient, K/U ∗ H, decreases up to 74%. Also, the dimensionless longitudinal dispersion coefficient increases up to 38% with stem density in a specific relative flow depth of D r  = 0.11. Finally, a comparison has been made between laboratory data and some well-known previously reported models. Later, the most accurate equations are presented for predicting the longitudinal dispersion coefficient in rigid vegetated compound meandering channels. The results of the present study reveal that rigid vegetation over flood plain can be used as an alternative method in river rehabilitation projects for environmental management purposes. Copyright

  4. A process-based emission model of volatile organic compounds from silage sources on farms

    Science.gov (United States)

    Bonifacio, H. F.; Rotz, C. A.; Hafner, S. D.; Montes, F.; Cohen, M.; Mitloehner, F. M.

    2017-03-01

    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 such as those from dairy farms. A process-based model for predicting VOC emissions from silage was developed and incorporated into the Integrated Farm System Model (IFSM, v. 4.3), a whole-farm simulation of crop, dairy, and beef production systems. The performance of the IFSM silage VOC emission model 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 studies, the model performed well in simulating ethanol emission from CSP, TMR, and LCS; its lower performance for SB could be attributed to possible changes in face conditions of SB after silage removal that are not represented in the current model. For methanol emission, lack of experimental data for refinement likely caused the underprediction for CSP and SB whereas the overprediction observed for TMR can be explained as uncertainty in measurements. Despite these limitations, the model is a valuable tool for comparing silage management options and evaluating their relative effects on the overall performance, economics, and environmental impacts of farm production. As a component of IFSM, the silage VOC emission model was used to simulate a representative dairy farm in central California. The simulation showed most silage VOC emissions were from feed lying in feed lanes and not from the exposed face of silage storages. This suggests that mitigation efforts, particularly in areas prone to ozone non-attainment status, should focus on reducing emissions during feeding. For

  5. 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)

  6. 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

  7. Stochastic model of angular distributions of fragments originating from the fission of excited compound nuclei

    Science.gov (United States)

    Hiryanov, R. M.; Karpov, A. V.; Adeev, G. D.

    2008-08-01

    The anisotropy of angular distributions of fission fragments and the average multiplicity of prescission neutrons were calculated within a stochastic approach to fission dynamics on the basis of three-dimensional Langevin equations. This approach was combined with a Monte Carlo algorithm for the degree of freedom K (projection of the total angular momentum I onto the fission axis). The relaxation time τ K in the coordinate K was considered as a free parameter of the model; it was estimated on the basis of a fit to experimental data on the anisotropy of angular distributions. Specifically, the relaxation time τ K was estimated at 2 × 10-21 s for the compound nuclei 224Th and 225Pa and at 4 × 10-21 s for the heavier nuclei 248Cf, 254Fm, and 264Rf. The potential energy was calculated on the basis of the liquid-drop model with allowance for finiteness of the range of nuclear forces and for the diffuseness of the nuclear surface. A modified one-body viscosity mechanism featuring a coefficient k s that takes into account the reduction of the contribution from the wall formula was used to describe collective-energy dissipation. The coefficient k s was also treated as a free parameter and was estimated at 0.5 on the basis of a fit to experimental data on the average prescission multiplicity of neutrons.

  8. Flatworm models in pharmacological research: the importance of compound stability testing.

    Science.gov (United States)

    Stalmans, Sofie; Willems, Maxime; Adriaens, Els; Remon, Jean-Paul; D'Hondt, Matthias; De Spiegeleer, Bart

    2014-10-01

    Flatworms possess adult pluripotent stem cells, which make them extraordinary experimental model organisms to assess in vivo the undesirable effects of substances on stem cells. Currently, quality practices, implying evaluation of the stability of the test compound under the proposed experimental conditions, are uncommon in this research field. Nevertheless, performing a stability study during the rational design of in vivo assay protocols will result in more reliable assay results. To illustrate the influence of the stability of the test substance on the final experimental outcome, we performed a short-term International Conference on Harmonization (ICH)-based stability study of cyclophosphamide in the culture medium, to which a marine flatworm model Macrostomum lignano is exposed. Using a validated U(H)PLC method, it was demonstrated that the cyclophosphamide concentration in the culture medium at 20°C is lowered to 80% of the initial concentration after 21days. The multiwell plates, flatworms and diatoms, as well as light exposure, did not influence significantly the cyclophosphamide concentration in the medium. The results of the stability study have practical implications on the experimental set-up of the carcinogenicity assay like the frequency of medium renewal. This case study demonstrates the benefits of applying appropriate quality guidelines already during fundamental research increasing the credibility of the results. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. 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.

  10. Cancer risk estimation for mixtures of coal tars and benzo(a)pyrene

    Energy Technology Data Exchange (ETDEWEB)

    Gaylor, D.W.; Culp, S.J.; Goldstein, L.S.; Beland, F.A.

    2000-02-01

    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 < 1.03 x 10{sup {minus}4} (ppm coal tar in total diet) + 240 x 10{sup {minus}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 < 2.55 x 10{sup {minus}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{sup {minus}3} per {micro}g per kg body weight per day from this Good Laboratory Practice (GLP) study compared with the current value of 7.3 x 10{sup {minus}3} per {micro}g per kg body weight per day listed in the US EPA Integrated Risk Information System.

  11. 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

  12. 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

  13. RADIOGENIC COMPONENTS OF THE NIGERIAN TAR SAND DEPOSITS

    Directory of Open Access Journals (Sweden)

    M. A. Oladunjoye

    2009-07-01

    Full Text Available A combination of factors has prevented the exploitation of the Nigerian tar sand deposits to date, among which is the environmental factor which may pose some dangers to both physical and biological components of the area of occurrence. Gamma ray spectrometric analysis was carried out on samples of bituminous sand deposits in parts of Southwestern Nigeria.The aims were to determine the presence and level of radioactivity of selected radionuclides and to assess the possible impact on the environment, and provide geochemical baseline that could be useful in planning appropriate environmental management programs that will reduce potential negative effect of exploiting the resourceson the environment.Twenty air-dried samples collected for this study were weighed and sealed for 28 days to enable them attain a state of secular equilibrium. They were subsequently analyzed for gamma-emitting radionuclides using Gamma-ray Spectrometer fitted with a calibrated Canberra vertical coaxial High purity Germanium Detector(HpGe system. The radio nuclides identified with reliable regularity belong to the decay series of naturally occurring radio nuclides headed by 238U, 232Th and naturally occurring 40K. Result showed that the radiogenic composition of the clay overburden (0.631mSvy-1, shale-(0.193mSvyr-1, and bituminous sand (0.446mSvyr-1, are lower than the normal background value considered harmful to man.

  14. Changes in the structure of coal tar during its thermolysis

    Energy Technology Data Exchange (ETDEWEB)

    Koloc, M.; Bekarek, V.; Rojak, A.; Roubicek, V.

    1983-01-01

    The changes in the structure of coal tar during thermal decomposition at 150 to 500 degrees have been studied (every 50 degrees). The heating was conducted at a speed of 3C per minute. The samples were analyzed using a nuclear magnetic resonance (YaMR) (H-1) method at 60 megahertz in a Varian A-60 instrument. The spectra were measured in a 30 percent solution in hexadeuterium benzene using tetramethylsilane as the external standard. The carbon, hydrogen and nitrogen contents were determined in the microsamples in a Perkin Elmer instrument. The structural parameters (the ratio of the number of aromatic carbon atoms to the total number of carbon atoms, the ratio of the number of aromatic hydrogen atoms to the number of aromatic carbon atoms and the degree of substitution of the aromatic carbon systems by aliphatic substituents) were determined using a Brown Ladner method. The elementary composition with the distribution of hydrogen into aromatic and aliphatic and the carbon into aliphatic and aromatic (including a common one for several nuclei which bears the hydrogen and the aliphatic substituents) was determined using a nuclear magnetic resonance method. All of the studied samples had a high degree of aromatization with small differences. The ratio of the number of aromatic hydrogen atoms to the number of aromatic carbon atoms with an increase in the final temperature from 150 to 500 degrees is reduced from 0.603 to 0.483, which points to the shift of the starting 4 to 5 nuclear systems into 10 to 12 nuclear condensed systems.

  15. Atmospheric tar balls from biomass burning in Mexico

    Science.gov (United States)

    Adachi, Kouji; Buseck, Peter R.

    2011-03-01

    Atmospheric tar balls (TBs) are spherical, organic aerosol particles that occur in smoke from biomass burning (BB). They absorb sunlight and thereby cause warming of the atmosphere. This study reports a transmission electron microscope (TEM) study of TBs from BB smoke samples collected within minutes to hours from emission in a tropical area of Mexico. Their spherical shapes as seen in both scanning electron microscope images and with electron tomography indicate that they were solid when collected. They consist of C and minor O, S, K, and N. The hygroscopic growth factor for our relatively fresh TBs is 1.09 ± 0.04 at a relative humidity of 100%. In samples 1.6 km from the fire, an average of ˜1 and 14%, respectively, of particles with aerodynamic diameter from 50 to 300 nm consisted of TBs. For the latter, more aged samples, the total volume was roughly double that of soot, and their total calculated light absorption at a wavelength of 550 nm was between 74 and 96% that of soot, with the exact amount depending on the size, shape, and coating of the soot. In general, the TBs that we analyzed were similar to those from North America, southern Africa, and Europe in terms of size, external mixing, relative freedom of inclusions, and composition. This and previous studies show that TBs result from a range of biomass fuels. Their distribution from various regions across the globe, combined with their optical properties, suggests they have important effects on regional and perhaps global climate.

  16. 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.

  17. 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

  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. Use of mineral oil Fleet enema for the removal of a large tar burn: a case report.

    Science.gov (United States)

    Carta, Tricia; Gawaziuk, Justin; Liu, Song; Logsetty, Sarvesh

    2015-03-01

    Extensive hot tar burns are relatively uncommon. Management of these burns provides a significant clinical challenge especially with respect to tar removal involving a large total body surface area (TBSA), without causing further tissue injury. We report a case of an over 40-year old male construction worker who was removing a malfunctioning cap from broken valve. This resulted in tar spraying over the anterior surface of his body including legs, feet, chest, abdomen, arms, face and oral cavity (80% TBSA covered in tar resulting in a 50% TBSA burn injury). Initially, petrolatum-based, double antibiotic ointment was used to remove the tar, based on our previous experience with small tar burns. However, this was time-consuming and ineffective. The tar was easily removed with mineral oil without irritation. In order to meet the demand for quantity of mineral oil, the pharmacy suggested using mineral oil Fleet enema (C.B. Fleet Company, Inc., Lynchburg, Virginia, USA). The squeezable bottle and catheter tip facilitated administration of oil into the patient's construction boots and under clothing that was adhered to the patient's skin. Tar removal requires an effective, non-toxic and non-irritating agent. Mineral oil is such an agent. For patients that may present with a large surface area tar burn, using mineral oil Fleet enema is a viable option that facilitates application into difficult areas. Grant Support: The Firefighters' Burn Fund (Manitoba) supported this project. Copyright © 2014 Elsevier Ltd and ISBI. All rights reserved.

  20. 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

  1. Iron(II) supramolecular helicates interfere with the HIV-1 Tat-TAR RNA interaction critical for viral replication

    Science.gov (United States)

    Malina, Jaroslav; Hannon, Michael J.; Brabec, Viktor

    2016-07-01

    The interaction between the HIV-1 transactivator protein Tat and TAR (transactivation responsive region) RNA, plays a critical role in HIV-1 transcription. Iron(II) supramolecular helicates were evaluated for their in vitro activity to inhibit Tat-TAR RNA interaction using UV melting studies, electrophoretic mobility shift assay, and RNase A footprinting. The results demonstrate that iron(II) supramolecular helicates inhibit Tat-TAR interaction at nanomolar concentrations by binding to TAR RNA. These studies provide a new insight into the biological potential of metallosupramolecular helicates.

  2. 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

  3. 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)

  4. 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…

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

    NARCIS (Netherlands)

    Birkved, Morten; Heijungs, Reinout

    Purpose: 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

  6. Thermodynamic analysis of tar reforming through auto-thermal reforming process

    International Nuclear Information System (INIS)

    Nurhadi, N.; Diniyati, Dahlia; Efendi, M. Ade Andriansyah; Istadi, I.

    2015-01-01

    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. 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.

  8. Microwave-induced cracking of pyrolytic tars coupled to microwave pyrolysis for syngas production.

    Science.gov (United States)

    Beneroso, D; Bermúdez, J M; Montes-Morán, M A; Arenillas, A; Menéndez, J A

    2016-10-01

    Herein a new process is proposed to produce a syngas-rich gas fraction (>80vol% H2+CO) from biowaste based on microwave heating within two differentiated steps in order to avoid tars production. The first step consists of the microwave pyrolysis of biowaste induced by a char-based susceptor at 400-800°C; tars, char and syngas-rich gas fractions being produced. The tars are then fed into the second step where a portion of the char from the first step is used as a bed material in a 0.3:1wt% ratio. This bed is heated up by microwaves up to 800°C, allowing thermal cracking of tars and additional syngas (>90vol% H2+CO) being then produced. This new concept arises as an alternative technology to the gasification of biowastes for producing syngas with no need for catalysts or gasifying reagents to minimise tars production. Copyright © 2016 Elsevier Ltd. All rights reserved.

  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. A four-dimensional compound-model morphed potential for the OC:HBr complex.

    Science.gov (United States)

    Rivera-Rivera, Luis A; Lucchese, Robert R; Bevan, John W

    2010-07-14

    A parameterized compound-model morphed intermolecular potential energy surface has been generated for the dimer OC:HBr. This morphed potential is determined by fitting experimentally available gas phase spectroscopic data and found to have a global minimum with a well depth of 564(5) cm(-1) and linear (16)O(12)C-H(79)Br geometry having center of mass to center of mass distance R = 4.525(7) A. The linear isomers (12)C(16)O-H(79)Br and (16)O(12)C-(79)BrH are determined with a corresponding well depth of 273(7) and 269(2) cm(-1) having R = 4.35(4) and 4.24(3) A, respectively. This results in a DeltaE of 293(9) cm(-1) between the global potential energy minimum and the minima in the two higher energy isomers. The generated potential is compared with the corresponding OC:HCl morphed potential. Differences in the morphing parameters are attributed to different contributions to the interaction energy. It is found that the counterpoise method successfully corrected the basis set superposition error in OC:HCl, but was under corrected by 16(7)% in OC:HBr.

  11. Growth of intermetallic compounds in the Au–In system: Experimental study and 1-D modelling

    International Nuclear Information System (INIS)

    Deillon, L.; Hessler, T.; Hessler-Wyser, A.; Rappaz, M.

    2014-01-01

    The gold–indium system is of primary interest for bonding processes such as solid–liquid interdiffusion bonding. In order to optimize the manufacturing parameters, it is essential to know which intermetallic compounds (IMCs) are formed when solid Au and liquid In are brought into close contact with each other, and what are their growth kinetics. For this purpose, we fabricated diffusion couples above and below the melting point of In (for T=250 and 150 °C respectively). Three IMCs, identified as AuIn 2 , AuIn and Au 7 In 3 , are always observed in the reaction zone, even after short times. AuIn 2 is the thickest and fastest growing layer and AuIn is only present as a thin layer. Whereas AuIn 2 and AuIn exhibit an equiaxed structure, Au 7 In 3 is found to grow as columnar grains. The diffusion coefficients in each phase were determined by means of a 1-D finite difference modelling of In diffusion. The values are consistent and can be used to predict the growth rate as a function of temperature and time, i.e. to simulate a whole bonding process with finite thicknesses

  12. Modeling the hydrolysis of perfluorinated compounds containing carboxylic and phosphoric acid ester functions and sulfonamide groups.

    Science.gov (United States)

    Rayne, Sierra; Forest, Kaya

    2010-01-01

    Temperature-dependent rate constants were estimated for the acid- and base-catalyzed and neutral hydrolysis reactions of perfluorinated telomer acrylates (FTAcrs) and phosphate esters (FTPEs), and the S(N)1 and S(N)2 hydrolysis reactions of fluorotelomer iodides (FTIs). Under some environmental conditions, hydrolysis of monomeric FTAcrs could be rapid (half-lives of several years in marine systems and as low as several days in some landfills) and represent a dominant portion of their overall degradation. Abiotic hydrolysis of monomeric FTAcrs may be a significant contributor to current environmental loadings of fluorotelomer alcohols (FTOHs) and perfluoroalkyl carboxylic acids (PFCAs). Polymeric FTAcrs are expected to be hydrolyzed more slowly, with estimated half-lives in soil and natural waters ranging between several centuries to several millenia absent additional surface area limitations on reactivity. Poor agreement was found between the limited experimental data on FTPE hydrolysis and computational estimates, requiring more detailed experimental data before any further modeling can occur on these compounds or their perfluoroalkyl sulfonamidoethanol phosphate ester (PFSamPE) analogs. FTIs are expected to have hydrolytic half-lives of about 130 days in most natural waters, suggesting they may be contributing to substantial FTOH and PFCA inputs in aquatic systems. Perfluoroalkyl sulfonamides (PFSams) appear unlikely to undergo abiotic hydrolysis at the S-N, C-S, or N-C linkages under environmentally relevant conditions, although potentially facile S-N hydrolysis via intramolecular catalysis by ethanol and acetic acid amide substituents warrants further investigation.

  13. Molecular dynamics of model compounds of polymers with chlorocyclohexyl groups in their structure

    Science.gov (United States)

    Saiz, Enrique; Riande, Evaristo

    1995-09-01

    The conformational mobility of 2-chlorocyclohexyl isobutyrate (CCHI), a model compound for the repeating unit of vinyl polymers containing chlorocyclohexane residues as side groups, is analyzed employing molecular dynamics (MD) procedures. Close to room temperature (ca. 300 K), the interconversion between axial (i.e., both chlorine atom and ester group in axial positions) and equatorial (both substituents in equatorial orientations) is not observed within the total time of 5 ns allowed to the MD trajectories. The analysis was then performed at temperatures in the range 1000 to 1500 K and the results extrapolated to lower temperatures. These extrapolations give energetic barriers of 5.72 and 8.15 kcal/mol, respectively for axial→equatorial and equatorial→axial transformations, with life times of τax≊9.6 and τeq≊46.3 ns for these two conformations at 300 K. The same procedure applied to unsubstituted cyclohexane gives an energetic barrier of 10.6 kcal/mol for the chair to chair interconversion, in excellent agreement with literature values. Further extrapolation to the temperatures at which the β subglass relaxation processes take place indicate that this interconversion is practically forbidden and therefore could not be invoked to explain the absorptions exhibited by this kind of polymers. The dipole moment of CCHI is also measured and calculated. Concordance between experimental (2.9±0.1 D) and calculated (2.7 D) values is very good.

  14. Theoretical studies on thermal degradation reaction mechanism of model compound of bisphenol A polycarbonate.

    Science.gov (United States)

    Huang, Jinbao; He, Chao; Li, Xinsheng; Pan, Guiying; Tong, Hong

    2018-01-01

    Density functional theory methods (DFT) M062X have been used to investigate the thermal degradation processes of model compound of bisphenol A polycarbonate (MPC) and to identify the optimal reaction paths in the thermal decomposition of bisphenol A polycarbonate (PC). The bond dissociation energies of main bonds in MPC were calculated, and it is found that the weakest bond in MPC is the single bond between the methylic carbon and carbon atom and the second weakest bond in MPC is the single bond between oxygen atom and the carbonyl carbon. On the basis of computational results of kinetic parameters, a mechanism is proposed where the hydrolysis (or alcoholysis) reaction is the main degradation pathways for the formation of the evolved products, and the homolytic cleavage and rearrangement reactions are the competitive reaction pathways in the thermal degradation of PC. The proposed mechanism is consistent with experimental observations of CO 2 , bisphenol A and 1,1-bis(4-hydroxyphenyl)-ethane as the main degradation products, together with a small amount of CO, alkyl phenol and diphenyl carbonate. Copyright © 2017 Elsevier Ltd. All rights reserved.

  15. Lignin model compounds as bio-based reactive diluents for liquid molding resins.

    Science.gov (United States)

    Stanzione, Joseph F; Sadler, Joshua M; La Scala, John J; Wool, Richard P

    2012-07-01

    Lignin is a copious paper and pulping waste product that has the potential to yield valuable, low molecular weight, single aromatic chemicals when strategically depolymerized. The single aromatic lignin model compounds, vanillin, guaiacol, and eugenol, were methacrylated by esterification with methacrylic anhydride and a catalytic amount of 4-dimethylaminopyridine. Methacrylated guaiacol (MG) and methacrylated eugenol (ME) exhibited low viscosities at room temperature (MG: 17 cP and ME: 28 cP). When used as reactive diluents in vinyl ester resins, they produced resin viscosities higher than that of vinyl ester-styrene blends. The relative volatilities of MG (1.05 wt% loss in 18 h) and ME (0.96 wt% loss in 18 h) measured by means of thermogravimetric analysis (TGA) were considerably lower than that of styrene (93.7 wt% loss in 3 h) indicating the potential of these chemicals to be environmentally friendly reactive diluents. Bulk polymerization of MG and ME generated homopolymers with glass transition temperatures (T(g)s) of 92 and 103 °C, respectively. Blends of a standard vinyl ester resin with MG and ME (50 wt % reactive diluent) produced thermosets with T(g)s of 127 and 153 °C, respectively, which are comparable to vinyl ester-styrene resins, thus demonstrating the ability of MG and ME to completely replace styrene as reactive diluents in liquid molding resins without sacrificing cured-resin thermal performance. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. 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.

  17. Study of Trans Fatty Acid Formation in Oil by Heating Using Model Compounds.

    Science.gov (United States)

    Gotoh, Naohiro; Kagiono, Satoshi; Yoshinaga, Kazuaki; Mizobe, Hoyo; Nagai, Toshiharu; Yoshida, Akihiko; Beppu, Fumiaki; Nagao, Koji

    2018-03-01

    The intake of trans fatty acids (TFAs) in foods changes the ratio of low density lipoprotein (LDL) to high density lipoprotein (HDL) cholesterol in blood, which causes cardiovascular disease. TFAs are formed by trans isomerization of unsaturated fatty acids (UFAs). The most recognized formation mechanisms of TFAs are hydrogenation of liquid oil to form partially hydrogenated oil (PHO,) and biohydrogenation of UFAs to form TFA in ruminants. Heating oil also forms TFAs; however, the mechanism of formation, and the TFA isomers formed have not been well investigated. In this study, the trans isomerization mechanism of unsaturated fatty acid formation by heating was examined using the model compounds oleic acid, trioleate, linoleic acid, and trilinoleate for liquid plant oil. The formation of TFAs was found to be suppressed by the addition of an antioxidant and argon gas. Furthermore, the quantity of formed TFAs correlated with the quantity of formed polymer in trioleate heated with air and oxygen. These results suggest that radical reactions form TFAs from UFAs by heating. Furthermore, trans isomerization by heating oleic acid and linoleic acid did not change the original double bond positions. Therefore, the distribution of TFA isomers formed was very simple. In contrast, the mixtures of TFA isomers formed from PHO and ruminant UFAs are complicated because migration of double bonds occurs during hydrogenation and biohydrogenation. These findings suggest that trans isomerization by heating is executed by a completely different mechanism than in hydrogenation and biohydrogenation.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. Effect of Structure on the Interactions between Five Natural Antimicrobial Compounds and Phospholipids of Bacterial Cell Membrane on Model Monolayers

    Directory of Open Access Journals (Sweden)

    Stella W. Nowotarska

    2014-06-01

    Full Text Available Monolayers composed of bacterial phospholipids were used as model membranes to study interactions of the naturally occurring phenolic compounds 2,5-dihydroxybenzaldehyde and 2-hydroxy-5-methoxybenzaldehyde, and the plant essential oil compounds carvacrol, cinnamaldehyde, and geraniol, previously found to be active against both Gram-positive and Gram-negative pathogenic microorganisms. The lipid monolayers consist of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine (DPPE, 1,2-dihexa- decanoyl-sn-glycero-3-phospho-(1'-rac-glycerol (DPPG, and 1,1',2,2'-tetratetradecanoyl cardiolipin (cardiolipin. Surface pressure–area (π-A and surface potential–area (Δψ-A isotherms were measured to monitor changes in the thermodynamic and physical properties of the lipid monolayers. Results of the study indicated that the five compounds modified the three lipid monolayer structures by integrating into the monolayer, forming aggregates of antimicrobial –lipid complexes, reducing the packing effectiveness of the lipids, increasing the membrane fluidity, and altering the total dipole moment in the monolayer membrane model. The interactions of the five antimicrobial compounds with bacterial phospholipids depended on both the structure of the antimicrobials and the composition of the monolayers. The observed experimental results provide insight into the mechanism of the molecular interactions between naturally-occurring antimicrobial compounds and phospholipids of the bacterial cell membrane that govern activities.

  5. 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

  6. 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

  7. 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

  8. Blos på svenska : Två låtar med Peps Persson

    OpenAIRE

    Johansson, Andreas

    1998-01-01

    Andreas Johansson: Blos på svenska. Två låtar med Peps Persson. Uppsala: Musikvetenskap, 1998. C-uppsats (60 p). Hur låter amerikansk Chicagoblues framförd av en svensk bluesmusiker? Denna fråga har varit utgångspunkt för uppsatsen, för vilken syftet är att beskriva och jämföra likheter och skillnader mellan dagens Chicagoblues i Sverige och den ursprungliga amerikanska Chicagobluesen från 1950-talet. I uppsatsen jämförs två låtar från Peps Perssons skiva Rotblos (1997) med de låtar Peps anvä...

  9. Coal tar creosote abuse by vapour inhalation presenting with renal impairment and neurotoxicity: a case report

    Science.gov (United States)

    Hiemstra, Thomas F; Bellamy, Christopher OC; Hughes, Jeremy H

    2007-01-01

    A 56 year old aromatherapist presented with advanced renal failure following chronic coal tar creosote vapour inhalation, and a chronic tubulo-interstitial nephritis was identified on renal biopsy. Following dialysis dependence occult inhalation continued, resulting in seizures, ataxia, cognitive impairment and marked generalised cerebral atrophy. We describe for the first time a case of creosote abuse by chronic vapour inhalation, resulting in significant morbidity. Use of the polycyclic aromatic hydrocarbon-containing wood preservative coal tar creosote is restricted by many countries due to concerns over environmental contamination and carcinogenicity. This case demonstrates additional toxicities not previously reported with coal tar creosote, and emphasizes the health risks of polycyclic aromatic hydrocarbon exposure. PMID:17892538

  10. Coal tar creosote abuse by vapour inhalation presenting with renal impairment and neurotoxicity: a case report

    Directory of Open Access Journals (Sweden)

    Hiemstra Thomas F

    2007-09-01

    Full Text Available Abstract A 56 year old aromatherapist presented with advanced renal failure following chronic coal tar creosote vapour inhalation, and a chronic tubulo-interstitial nephritis was identified on renal biopsy. Following dialysis dependence occult inhalation continued, resulting in seizures, ataxia, cognitive impairment and marked generalised cerebral atrophy. We describe for the first time a case of creosote abuse by chronic vapour inhalation, resulting in significant morbidity. Use of the polycyclic aromatic hydrocarbon-containing wood preservative coal tar creosote is restricted by many countries due to concerns over environmental contamination and carcinogenicity. This case demonstrates additional toxicities not previously reported with coal tar creosote, and emphasizes the health risks of polycyclic aromatic hydrocarbon exposure.

  11. 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.

  12. Radiation chemistry of salicylic and methyl substituted salicylic acids: Models for the radiation chemistry of pharmaceutical compounds

    International Nuclear Information System (INIS)

    Ayatollahi, Shakiba; Kalnina, Daina; Song, Weihua; Turks, Maris; Cooper, William J.

    2013-01-01

    Salicylic acid and its derivatives are components of many medications and moieties found in numerous pharmaceutical compounds. They have been used as models for various pharmaceutical compounds in pharmacological studies, for the treatment of pharmaceuticals and personal care products (PPCPs), and, reactions with natural organic matter (NOM). In this study, the radiation chemistry of benzoic acid, salicylic acid and four methyl substituted salicylic acids (MSA) is reported. The absolute bimolecular reaction rate constants for hydroxyl radical reaction with benzoic and salicylic acids as well as 3-methyl-, 4-methyl-, 5-methyl-, and 6-methyl-salicylic acid were determined (5.86±0.54)×10 9 , (1.07±0.07)×10 10 , (7.48±0.17)×10 9 , (7.31±0.29)×10 9 , (5.47±0.25)×10 9 , (6.94±0.10)×10 9 (M −1 s −1 ), respectively. The hydrated electron reaction rate constants were measured (3.02±0.10)×10 9 , (8.98±0.27)×10 9 , (5.39±0.21)×10 9 , (4.33±0.17)×10 9 , (4.72±0.15)×10 9 , (1.42±0.02)×10 9 (M −1 s −1 ), respectively. The transient absorption spectra for the six model compounds were examined and their role as model compounds for the radiation chemistry of pharmaceuticals investigated. - Highlights: • Free radical chemistry of salicylic and 4 methyl salicylic acids is investigated. • The transient absorptions spectra for model compounds are measured. • Absolute bimolecular reaction rate constants for hydroxyl radical are determined. • Solvated electron reaction rate constants are calculated. • The use of salicylic acids as models for pharmaceuticals is explored

  13. 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

  14. 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

  15. Aviation Turbine Fuels from Tar Sands Bitumen and Heavy Oils. Part 1. Process Analysis.

    Science.gov (United States)

    1984-09-01

    04 Z 1 2L z 0 U. 40c z 0 U wW qcM x U, > -(FHW ic x Z J Z M 300 z 4c 00 U AO U2 o g II. us us . . . .’we TABLE 26 WESTKEN OIL COST OF...Miller, J. D., M. Misra, "Concentration of Utah Tar Sands by on Ambient Temperature Flotation Process,"International Journal of Mineral...34Bitumen Recovery from Tar Sands Sludge - by Flotation using Promotor Additive," Canadian Patent #1146-897, (July 8, 1980). Sun Corporation Inc

  16. NMR studies of strong hydrogen bonds in enzymes and in a model compound

    Science.gov (United States)

    Harris, T. K.; Zhao, Q.; Mildvan, A. S.

    2000-09-01

    Hydrogen bond lengths on enzymes have been derived with high precision (≤±0.05 Å) from both the proton chemical shifts (δ) and the fractionation factors (φ) of the proton involved and were compared with those obtained from protein X-ray crystallography. Hydrogen bond lengths derived from proton chemical shifts were obtained from a correlation of 59 O-H⋯O hydrogen bond lengths, measured by small molecule high resolution X-ray crystallography, with chemical shifts determined by solid-state NMR in the same crystals [A. McDermott, C.F. Ridenour, Encyclopedia of NMR, Wiley, Sussex, England, 1996, 3820pp]. Hydrogen bond lengths were independently obtained from fractionation factors which yield distances between the two proton wells in quartic double minimum potential functions [M.M. Kreevoy, T.M. Liang, J. Am. Chem. Soc. 102 (1980) 3315]. The high precision hydrogen bond lengths derived from their corresponding NMR-measured proton chemical shifts and fractionation factors agree well with each other and with those reported in protein X-ray structures within the larger errors (±0.2-0.8 Å) in lengths obtained by protein X-ray crystallography. The increased precision in measurements of hydrogen bond lengths by NMR has provided insight into the contributions of short, strong hydrogen bonds to catalysis for several enzymes including ketosteroid isomerase, triosephosphate isomerase, and serine proteases. The O-H⋯O hydrogen bond length derived from the proton chemical shift in a model dihydroxy-naphthalene compound in aqueous solution agreed well with lengths of such hydrogen bonds determined by high resolution, small molecule X-ray diffraction.

  17. Reducing the {alpha}{sub 1} fraction in the coal tar and pitch at OOO Mechel-Koks

    Energy Technology Data Exchange (ETDEWEB)

    A.V. Kazak; V.A. Antonova; N.A. Protopopova; A.N. Baranov [OOO Chelyabinskii Zavod po Proizvodstvu Koksokhimicheskoi Produktsii (OOO Mechel-Koks), Chelyabinsk (Russian Federation)

    2009-08-15

    Means of reducing the content of quinoline-insoluble components (the {alpha}{sub 1} fraction) in highly pyrolyzed coal tar and reducing {alpha}{sub 1} in pitch on tar processing are considered. A system for electrode-pitch production is developed.

  18. 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...... of the model comprise temperature, acentric factor, critical pressure, normal boiling temperature, and molecular weight. Nearly 80% of the data set (15,221 data) is randomly assigned to develop the model equation, 10% of the data set (1902 data) is used to validate the model, and the remaining data (1902 data...

  19. Construction and Optimization of a Heterologous Pathway for Protocatechuate Catabolism in Escherichia coli Enables Bioconversion of Model Aromatic Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Clarkson, Sonya M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Giannone, Richard J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division; Kridelbaugh, Donna M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Elkins, James G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Guss, Adam M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division; Michener, Joshua K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biosciences Division, BioEnergy Science Center; Vieille, Claire [Michigan State Univ., East Lansing, MI (United States)

    2017-07-21

    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. WhileEscherichia colihas been engineered to produce a variety of fuels and chemicals, it is incapable of catabolizing most aromatic compounds. Therefore, we engineeredE. colito catabolize protocatechuate, a common intermediate in lignin degradation, as the sole source of carbon and energy via heterologous expression of a nine-gene pathway fromPseudomonas putidaKT2440. Then, we 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.

    IMPORTANCELignin 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. By constructing defined pathways for aromatic compound degradation in a model host would allow rapid

  20. Analysis of the use of coal tar as a binder in bituminous mixtures, using Marshall and Ramcodes methodologies

    Science.gov (United States)

    Ochoa-Díaz, R.

    2013-11-01

    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.

  1. 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

  2. Mathematical modeling of blood-gas kinetics for the volatile organic compounds isoprene and acetone

    International Nuclear Information System (INIS)

    King, J.

    2010-01-01

    Breath gas analysis is based on the compelling concept that the exhaled breath levels of endogenously produced volatile organic compounds (VOCs) can provide a direct, non-invasive window to the blood and hence, by inference, to the body. In this sense, breath VOCs are regarded as a comprehensive repository of valuable physiological and clinical information, that might be exploited in such diverse areas as diagnostics, therapeutic monitoring or general dynamic assessments of metabolic function, pharmacodynamics (e.g., in drug testing) and environmental exposure (e.g., in occupational health). Despite this enormous potential, the lack of standardized breath sampling regimes as well as the poor mechanistic understanding of VOC exhalation kinetics could cast a cloud over the widespread use of breath gas analysis in the biomedical sciences. In this context, a primary goal of the present thesis is to provide a better quantitative insight into the breath behavior of two prototypic VOCs, isoprene and acetone. A compartmental modeling framework is developed and validated by virtue of real-time breath measurements of these trace gases during distinct physiological states. In particular, the influence of various hemodynamic and ventilatory parameters on VOC concentrations in exhaled breath is investigated. This approach also complements previous steady state investigations in toxicology. From a phenomenological point of view, both acetone and isoprene concentrations in end-tidal breath are demonstrated to exhibit a reproducible non-steady state behavior during moderate workload challenges on a stationary bicycle. However, these dynamics depart drastically from what is expected on the basis of classical pulmonary inert gas elimination theory. More specifically, the start of exercise is accompanied by an abrupt increase in breath isoprene levels, usually by a factor of 3 to 4 compared with the steady state value during rest. This phase is followed by a gradual decline and the

  3. New 1,2,4-triazine bearing compounds: molecular modeling, synthesis and biotesting

    Directory of Open Access Journals (Sweden)

    Negrutska V. V.

    2009-12-01

    Full Text Available Aim. To enlarge a spectrum of biologically active compounds in the series of the 1,2,4-triazino[5,6-b] [1,4]benzothiazine (1,2,4-TBT derivatives and reveal among them efficient inhibitors of RNA synthesis Methods. The methods of structure optimization of the 3-oxo-1,2,4-TBT by fragment-oriented substitution, the molecular doking of new structures in a virtual target, the rational chemical synthesis of the theoretically predicted compounds and their testing in the system of transcription in vitro. Results. The series of 1,2,4-TBT derivatives with substituents in the benzene and triazine cycles of a base molecule were synthesized. The testing of synthesized compounds in the in vitro transcription system directed by T7 RNA polymerase revealed the structure- and concentration-dependent inhibition of the RNA synthesis by some of these compounds. The experimental and virtual screening data for all investigated compounds have a good correlation. It was found that most effective derivative is the 3-oxo-8-butyl-1,2,4-TBT which completely inhibited transcription at the concentration of 6 mg/ml. Conclusions. The biotesting results allow us to assume that the inhibition of RNA synthesis is caused by binding of the 3-oxo- 8-butyl-1,2,4-TBT to both free RNA polymerase molecules and those including in a transcriptional complex with DNA

  4. Comparison of Multiple Linear Regressions and Neural Networks based QSAR models for the design of new antitubercular compounds.

    Science.gov (United States)

    Ventura, Cristina; Latino, Diogo A R S; Martins, Filomena

    2013-01-01

    The performance of two QSAR methodologies, namely Multiple Linear Regressions (MLR) and Neural Networks (NN), towards the modeling and prediction of antitubercular activity was evaluated and compared. A data set of 173 potentially active compounds belonging to the hydrazide family and represented by 96 descriptors was analyzed. Models were built with Multiple Linear Regressions (MLR), single Feed-Forward Neural Networks (FFNNs), ensembles of FFNNs and Associative Neural Networks (AsNNs) using four different data sets and different types of descriptors. The predictive ability of the different techniques used were assessed and discussed on the basis of different validation criteria and results show in general a better performance of AsNNs in terms of learning ability and prediction of antitubercular behaviors when compared with all other methods. MLR have, however, the advantage of pinpointing the most relevant molecular characteristics responsible for the behavior of these compounds against Mycobacterium tuberculosis. The best results for the larger data set (94 compounds in training set and 18 in test set) were obtained with AsNNs using seven descriptors (R(2) of 0.874 and RMSE of 0.437 against R(2) of 0.845 and RMSE of 0.472 in MLRs, for test set). Counter-Propagation Neural Networks (CPNNs) were trained with the same data sets and descriptors. From the scrutiny of the weight levels in each CPNN and the information retrieved from MLRs, a rational design of potentially active compounds was attempted. Two new compounds were synthesized and tested against M. tuberculosis showing an activity close to that predicted by the majority of the models. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  5. N-nitrosodimethylamine (NDMA) formation from the ozonation of model compounds.

    Science.gov (United States)

    Marti, Erica J; Pisarenko, Aleksey N; Peller, Julie R; Dickenson, Eric R V

    2015-04-01

    Nitrosamines are a class of toxic disinfection byproducts commonly associated with chloramination, of which several were included on the most recent U.S. EPA Contaminant Candidate List. Nitrosamine formation may be a significant barrier to ozonation in water reuse applications, particularly for direct or indirect potable reuse, since recent studies show direct formation during ozonation of natural water and treated wastewaters. Only a few studies have identified precursors which react with ozone to form N-nitrosodimethylamine (NDMA). In this study, several precursor compound solutions, prepared in ultrapure water and treated wastewater, were subjected to a 10 M excess of ozone. In parallel experiments, the precursor solutions in ultrapure water were exposed to gamma radiation to determine NDMA formation as a byproduct of reactions of precursor compounds with hydroxyl radicals. The results show six new NDMA precursor compounds that have not been previously reported in the literature, including compounds with hydrazone and carbamate moieties. Molar yields in deionized water were 61-78% for 3 precursors, 12-23% for 5 precursors and <4% for 2 precursors. Bromide concentration was important for three compounds (1,1-dimethylhydrazine, acetone dimethylhydrazone and dimethylsulfamide), but did not enhance NDMA formation for the other precursors. NDMA formation due to chloramination was minimal compared to formation due to ozonation, suggesting distinct groups of precursor compounds for these two oxidants. Hydroxyl radical reactions with the precursors will produce NDMA, but formation is much greater in the presence of molecular ozone. Also, hydroxyl radical scavenging during ozonation leads to increased NDMA formation. Molar conversion yields were higher for several precursors in wastewater as compared to deionized water, which could be due to catalyzed reactions with constituents found in wastewater or hydroxyl radical scavenging. Copyright © 2014 Elsevier Ltd. All

  6. 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...... 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...

  7. Exposure to runoff from coal-tar-sealed pavement induces genotoxicity and impairment of DNA repair capacity in the RTL-W1 fish liver cell line

    Energy Technology Data Exchange (ETDEWEB)

    Kienzler, Aude, E-mail: aude.kienzler@entpe.fr [Université de Lyon, UMR LEHNA 5023, USC INRA, ENTPE, rue Maurice Audin, Vaulx-en-Velin F-69518 (France); Mahler, Barbara J., E-mail: bjmahler@usgs.gov [U.S. Geological Survey, 1505 Ferguson Lane, Austin, TX 78754 (United States); Van Metre, Peter C., E-mail: pcvanmet@usgs.gov [U.S. Geological Survey, 1505 Ferguson Lane, Austin, TX 78754 (United States); Schweigert, Nathalie [Université de Lyon, UMR LEHNA 5023, USC INRA, ENTPE, rue Maurice Audin, Vaulx-en-Velin F-69518 (France); Devaux, Alain, E-mail: alain.devaux@entpe.fr [Université de Lyon, UMR LEHNA 5023, USC INRA, ENTPE, rue Maurice Audin, Vaulx-en-Velin F-69518 (France); Bony, Sylvie, E-mail: bony@entpe.fr [Université de Lyon, UMR LEHNA 5023, USC INRA, ENTPE, rue Maurice Audin, Vaulx-en-Velin F-69518 (France)

    2015-07-01

    Coal-tar-based (CTB) sealcoat, frequently applied to parking lots and driveways in North America, contains elevated concentrations of polycyclic aromatic hydrocarbons (PAHs) and related compounds. The RTL-W1 fish liver cell line was used to investigate two endpoints (genotoxicity and DNA-repair-capacity impairment) associated with exposure to runoff from asphalt pavement with CTB sealcoat or with an asphalt-based sealcoat hypothesized to contain about 7% CTB sealcoat (AS-blend). Genotoxic potential was assessed by the Formamido pyrimidine glycosylase (Fpg)-modified comet assay for 1:10 and 1:100 dilutions of runoff samples collected from 5 h to 36 d following sealcoat application. DNA-repair capacity was assessed by the base excision repair comet assay for 1:10 dilution of samples collected 26 h and 36 d following application. Both assays were run with and without co-exposure to ultraviolet-A radiation (UVA). With co-exposure to UVA, genotoxic effects were significant for both dilutions of CTB runoff for three of four sample times, and for some samples of AS-blend runoff. Base excision repair was significantly impaired for CTB runoff both with and without UVA exposure, and for AS-blend runoff only in the absence of UVA. This study is the first to investigate the effects of exposure to the complex mixture of chemicals in coal tar on DNA repair capacity. The results indicate that co-exposure to runoff from CT-sealcoated pavement and UVA as much as a month after sealcoat application has the potential to cause genotoxicity and impair DNA repair capacity. - Highlights: • Co-exposure to runoff from coal-tar-sealcoated pavement and UVA caused DNA damage. • Significant genotoxicity occurred with a 1:100 dilution of runoff. • Runoff collected up to 36 d following coal-tar-sealcoat application was genotoxic. • Exposure to runoff from sealed pavement impaired an important DNA repair pathway. • Repair capacity was impaired with a 1:10 dilution of runoff (1:100 not

  8. Comparison of Fungal Laccases and Redox Mediators in Oxidation of a Nonphenolic Lignin Model Compound

    Science.gov (United States)

    Li, Kaichang; Xu, Feng; Eriksson, Karl-Erik L.

    1999-01-01

    Several fungal laccases have been compared for the oxidation of a nonphenolic lignin dimer, 1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propan-1,3-diol (I), and a phenolic lignin model compound, phenol red, in the presence of the redox mediators 1-hydroxybenzotriazole (1-HBT) or violuric acid. The oxidation rates of dimer I by the laccases were in the following order: Trametes villosa laccase (TvL) > Pycnoporus cinnabarinus laccase (PcL) > Botrytis cinerea laccase (BcL) > Myceliophthora thermophila laccase (MtL) in the presence of either 1-HBT or violuric acid. The order is the same if the laccases are used at the same molar concentration or added to the same activity (with ABTS [2,2′-azinobis (3-ethylbenzothiazoline-6-sulfonic acid)] as a substrate). During the oxidation of dimer I, both 1-HBT and violuric acid were to some extent consumed. Their consumption rates also follow the above order of laccases, i.e., TvL > PcL > BcL > MtL. Violuric acid allowed TvL and PcL to oxidize dimer I much faster than 1-HBT, while BcL and violuric acid oxidized dimer I more slowly than BcL and 1-HBT. The oxidation rate of dimer I is dependent upon both kcat and the stability of the laccase. Both 1-HBT and violuric acid inactivated the laccases, violuric acid to a greater extent than 1-HBT. The presence of dimer I or phenol red in the reaction mixture slowed down this inactivation. The inactivation is mainly due to the reaction of the redox mediator free radical with the laccases. We did not find any relationship between the carbohydrate content of the laccases and their inactivation. When the redox potential of the laccases is in the range of 750 to 800 mV, i.e., above that of the redox mediator, it does not affect kcat and the oxidation rate of dimer I. PMID:10347057

  9. Discovery of p1736, a novel antidiabetic compound that improves peripheral insulin sensitivity in mice models.

    Directory of Open Access Journals (Sweden)

    Jessy Anthony

    Full Text Available Insulin resistance is a characteristic feature of Type 2 diabetes. Insulin resistance has also been implicated in the pathogenesis of cardiovascular disease. Currently used thiazolidinedione (TZD insulin sensitizers although effective, have adverse side effects of weight gain, fluid retention and heart failure. Using fat cell-based phenotypic drug discovery approach we identified P1736, a novel antidiabetic molecule that has completed Phase II clinical trials. The present study evaluated the in vitro and in vivo pharmacological properties of P1736. P1736 is a non-TZD and it did not activate human PPAR(Peroxisome Proliferator Activated Receptor Gamma receptors. P1736 caused dose dependent increase in glucose uptake (EC50-400 nM in the insulin resistant 3T3 adipocytes. The compound (10 µM induced translocation of GLUT-4 (Glucose Transporter type 4 transporters in these adipocytes while metformin (1.0mM was inactive. In diabetic db/db mice, P1736 (150 mg/kg was more efficacious than metformin in lowering plasma glucose (35% vs 25% and triglyceride levels (38% vs 31%. P1736 tested at 5mg/kg, twice daily doses, reduced glucose by 41% and triglycerides by 32%, in db/db mice. These effects were not associated with adverse effects on body weight or liver function. Rosiglitazone (5mg/kg, twice daily caused 60% and 40 % decreases in glucose and triglyceride levels, respectively. However, rosiglitazone induced 13% weight gain (p<0.05 in db/db mice. P1736 was also efficacious in ob/ob mice wherein 30-35% decrease in glucose and significant improvement in hyperinsulinemia were observed. Administration of P1736 to ob/ob mice resulted in 70% increase in glucose uptake in soleus muscles while metformin caused 38% increase. P1736 exhibited excellent safety profile and was weight neutral in all preclinical models of diabetes. Thus, P1736 with its unique pharmacology coupled with PPAR- independent mode of action could represent an alternative option in the

  10. Discovery of p1736, a novel antidiabetic compound that improves peripheral insulin sensitivity in mice models.

    Science.gov (United States)

    Anthony, Jessy; Kelkar, Aditya; Wilankar, Chandan; Ranjith, Vijayalakshmi; Bhumra, Sujit Kaur; Mutt, Shivaprakash Jagalur; Mutt, Shivaprakash; Deka, Nabajyoti; Sivaramakrishnan, Hariharan; Sharma, Somesh; Marita, Adaikalasamy Rosalind

    2013-01-01

    Insulin resistance is a characteristic feature of Type 2 diabetes. Insulin resistance has also been implicated in the pathogenesis of cardiovascular disease. Currently used thiazolidinedione (TZD) insulin sensitizers although effective, have adverse side effects of weight gain, fluid retention and heart failure. Using fat cell-based phenotypic drug discovery approach we identified P1736, a novel antidiabetic molecule that has completed Phase II clinical trials. The present study evaluated the in vitro and in vivo pharmacological properties of P1736. P1736 is a non-TZD and it did not activate human PPAR(Peroxisome Proliferator Activated Receptor Gamma )receptors. P1736 caused dose dependent increase in glucose uptake (EC50-400 nM) in the insulin resistant 3T3 adipocytes. The compound (10 µM) induced translocation of GLUT-4 (Glucose Transporter type 4) transporters in these adipocytes while metformin (1.0mM) was inactive. In diabetic db/db mice, P1736 (150 mg/kg) was more efficacious than metformin in lowering plasma glucose (35% vs 25%) and triglyceride levels (38% vs 31%). P1736 tested at 5mg/kg, twice daily doses, reduced glucose by 41% and triglycerides by 32%, in db/db mice. These effects were not associated with adverse effects on body weight or liver function. Rosiglitazone (5mg/kg, twice daily) caused 60% and 40 % decreases in glucose and triglyceride levels, respectively. However, rosiglitazone induced 13% weight gain (p<0.05) in db/db mice. P1736 was also efficacious in ob/ob mice wherein 30-35% decrease in glucose and significant improvement in hyperinsulinemia were observed. Administration of P1736 to ob/ob mice resulted in 70% increase in glucose uptake in soleus muscles while metformin caused 38% increase. P1736 exhibited excellent safety profile and was weight neutral in all preclinical models of diabetes. Thus, P1736 with its unique pharmacology coupled with PPAR- independent mode of action could represent an alternative option in the management of

  11. Gasification and effect of gasifying temperature on syngas quality and tar generation: A short review

    Science.gov (United States)

    Guangul, Fiseha Mekonnen; Sulaiman, Shaharin Anwar; Raghavan, Vijay R.

    2012-06-01

    Corrosion, erosion and plugging of the downstream equipments by tar and ash particle and, low energy content of syngas are the main problems of biomass gasification process. This paper attempts to review the findings of literature on the effect of temperature on syngas quality, and in alleviating the tar and ash problems in the gasification process. The review of literature indicates that as the gasification temperature increases, concentration of the resulting H2 and carbon conversion efficiency increase, the amount of tar in the syngas decreases. For the same condition, CH4 and CO concentration do not show consistent trend when the feedstock and gasification process varies. These necessitate the need for conducting an experiment for a particular gasification process and feedstock to understand fully the benefits of controlling the gasification temperature. This paper also tries to propose a method to improve the syngas quality and to reduce the tar amount by using preheated air and superheated steam as a gasifying media for oil palm fronds (OPF) gasification.

  12. On the Periphery of the Tar Sands. Documents in the Classroom.

    Science.gov (United States)

    Hodysh, Henry W.

    2000-01-01

    Explores the diary of Karl Clark that focuses on his experiences in the Athabasca tar sands. The diary helps decipher the nature of 1920s town life and the pioneering spirit involved in exploring the oil sands. Includes background information on Clark. (CMK)

  13. Chemical composition of hydrocarbons from semicoking tars of lignites from the near-Moscow fields

    Energy Technology Data Exchange (ETDEWEB)

    Platonov, V.V.; Proskuryakov, V.A.; Antonio, T.Z.; Platonova, M.V. [Lev Tolstoi Pedagogical University, Tula (Russian Federation)

    1998-09-01

    The chemical composition of hydrocarbons from the semicoking tar of lignites was studied by elemental, functional, emission spectrum, and structural-group analyses, cryoscopy, IR, UV and {sup 1}H and {sup 13}C NMR spectroscopy, capillary gas chromatography, and gas chromatography-mass spectrometry. A scheme was developed for adsorption liquid chromatography of the hydrocarbons.

  14. Tar sands showdown : Canada and the new politics of oil in an age of climate change

    International Nuclear Information System (INIS)

    Clarke, T.

    2009-01-01

    This book outlined the social and environmental issues facing the oil sands industry in Canada, including economic sovereignty, energy security, water rights and free trade. The tar sands have become vital to the Canadian economy, as they have the potential to increase Canada's foreign oil output by 4 to 5 times in the next 15 years. The author discussed the ecological and social impact of the Alberta tar sands and the real cost of development to Albertans and Canadians. Tar sands oil production generates more than 3 times the amount of greenhouse gas emissions than conventional oil production. The industry is also becoming a prime example of the abuse of water sources. The author emphasized the need to build an alternative energy future in an age of global warming. The main objective of this book was to help stimulate a nation-wide public debate about the tar sands and the critical issues at stake regarding Canada's energy future and an environmental strategy for more sustainable development. refs., tabs., figs.

  15. 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... posing a risk of cancer. (a) The principal display panel of the label and any labeling accompanying a... your skin and has been determined to cause cancer in laboratory animals. (b) Hair dyes containing any...

  16. GC/MS analysis of coal tar composition produced from coal pyrolysis

    African Journals Online (AJOL)

    Coal tar is a significant product generated from coal pyrolysis. A detailed analytical study on its composition and chemical structure will be of great advantage to its further processing and utilization. Using a combined method of planigraphy-gas chromatograph/mass spectroscopy (GC/MS), this work presents a composition ...

  17. Tar analysis from biomass gasification by means of online fluorescence spectroscopy

    Science.gov (United States)

    Baumhakl, Christoph; Karellas, Sotirios

    2011-07-01

    Optical methods in gas analysis are very valuable mainly due to their non-intrusive character. That gives the possibility to use them for in-situ or online measurements with only optical intervention in the measurement volume. In processes like the gasification of biomass, it is of high importance to monitor the gas quality in order to use the product gas in proper machines for energy production following the restrictions in the gas composition but also improving its quality, which leads to high efficient systems. One of the main problems in the biomass gasification process is the formation of tars. These higher hydrocarbons can lead to problems in the operation of the energy system. Up to date, the state of the art method used widely for the determination of tars is a standardized offline measurement system, the so-called "Tar Protocol". The aim of this work is to describe an innovative, online, optical method for determining the tar content of the product gas by means of fluorescence spectroscopy. This method uses optical sources and detectors that can be found in the market at low cost and therefore it is very attractive, especially for industrial applications where cost efficiency followed by medium to high precision are of high importance.

  18. Pelagic tar, dissolved/dispersed petroleum hydrocarbons and plastic distribution in the Cretan Sea, Greece

    International Nuclear Information System (INIS)

    Kornilios, S.; Drakopoulos, P.G.; Dounas, C.

    1998-01-01

    During the first cruise of R/V 'Philia' in July 1997 within the framework of the TALOS programme supported by the Greek Ministry of Physical Planning and Public Works, the sampling of floating tar, litter and sea water for dissolved/dispersed petroleum hydrocarbons (DDPH) was carried out in the Cretan Sea. Analysis of these data has allowed a first assessment of the status of floating marine pollution in the region. DDPH measurements showed a mean concentration of 0.145 μg/l of chrysene equivalents (n = 24). Tar and plastics concentrations were in the range of 1-4280 and 0-1160 μg/m 2 , respectively. Mean pelagic tar concentration was 318 μg/m 2 , more than two times higher than what was reported for the area in previous studies. Based on in situ hydrographic observations there is strong evidence that most of the floating tar enters the Cretan Sea through the Ionian Sea. (author)

  19. Carbon deposition in an SOFC fueled by tar-laden biomass gas: a thermodynamic analysis

    Science.gov (United States)

    Singh, Devinder; Hernández-Pacheco, Eduardo; Hutton, Phillip N.; Patel, Nikhil; Mann, Michael D.

    This work presents a thermodynamic analysis of the carbon deposition in a solid oxide fuel cell (SOFC) fueled by a biomass gasifier. Integrated biomass-SOFC units offer considerable benefits in terms of efficiency and fewer emissions. SOFC-based power plants can achieve a system efficiency of 70-80% (including heat utilization) as compared to 30-37% for conventional systems. The fuel from the biomass gasifier can contain considerable amounts of tars depending on the type of gasifier used. These tars can lead to the deposition of carbon at the anode side of SOFCs and affect the performance of the fuel cells. This paper thermodynamically studies the risk of carbon deposition due to the tars present in the feed stream and the effect various parameters like current density, steam, and temperature have on carbon deposition. Since tar is a complex mixture of aromatics, it is represented by a mixture of toluene, naphthalene, phenol, and pyrene. A total of 32 species are considered for the thermodynamic analysis, which is done by the Gibbs energy minimization technique. The carbon deposition is shown to decrease with an increase in current density and becomes zero after a critical current density. Steam in the feed stream also decreases the amount of carbon deposition. With the increase in temperature the amount of carbon first decreases and then increases.

  20. Effect of the bioemulsifier emulsan on naphthalene mineralization from coal tar in aqueous systems

    Energy Technology Data Exchange (ETDEWEB)

    Skubal, K.L.; Luthy, R.G.

    1994-09-01

    Coal tar in aerobic aqueous systems was treated with purified emulsan, the anionic heteropolysaccharide bioemulsifier produced by Acinetobacter calcoaceticus RAG-1; with inocula of various concentrations of stationary phase RAG-1 cells; or with cell-free broth from stationary phase RAG-1 cultures. Naphthalene mineralization by a mixed PAH-degrading population was measured by recovering {sup 14}CO{sub 2} evolved during biotransformation of the [{sup 14}C]naphthalene-labeled coal tar. There was no evidence of naphthalene mineralization by RAG- 1 cells alone. The addition of emulsan, RAG-1 inocula, or cell-free broth to systems containing the PAH-degrading population did not significantly affect naphthalene mineralization in any of the systems tested. Coal tar in these experiments was present either as a free dense nonaqueous phase liquid (DNAPL), or as DNAPL imbibed into microporous silica particles. Emulsification of the tar was not observed in either case. The presence or absence of microporous silica did not affect the extent or rate of naphthalene mineralization, nor did the concentration of RAG-1 inocula or the amount of broth added. The addition of cell-free broth, emulsan, or RAG-1 cells late in the experiments did not yield significantly different results compared to initial addition of these substances. Thus, emulsan and related fractions from RAG-1 cultures were ineffective in altering naphthalene mineralization in this study.