WorldWideScience

Sample records for acetylenes

  1. Acetylene on Titan

    Science.gov (United States)

    Singh, Sandeep; McCord, Thomas B.; Combe, Jean-Philippe; Rodriguez, Sebastien; Cornet, Thomas; Le Mouélic, Stéphane; Clark, Roger Nelson; Maltagliati, Luca; Chevrier, Vincent

    2016-10-01

    Saturn's moon Titan possesses a thick atmosphere that is mainly composed of N2 (98%), CH4 (2 % overall, but 4.9% close to the surface) and less than 1% of minor species, mostly hydrocarbons [1]. A dissociation of N2 and CH4 forms complex hydrocarbons in the atmsophere and acetylene (C2H2) and ethane (C2H6) are produced most abundently. Since years, C2H2 has been speculated to exist on the surface of Titan based on its high production rate in the stratosphere predicted by photochemical models [2,3] and from its detection as trace gas sublimated/evaporated from the surface after the landing of the Huygens probe by the Gas Chromatograph Mass Spectrometer (GCMS) [1]. Here we show evidence of acetylene (C2H2) on the surface of Titan by detecting absorption bands at 1.55 µm and 4.93 µm using Cassini Visual and Infrared Mapping Spectrometer (VIMS) [4] at equatorial areas of eastern Shangri-La, and Fensal-Aztlan/Quivira.An anti-correlation of absorption band strength with albedo indicates greater concentrations of C2H2 in the dark terrains, such as sand dunes and near the Huygens landing site. The specific location of the C2H2 detections suggests that C2H2 is mobilized by surface processes, such as surface weathering by liquids through dissolution/evaporation processes.References:[1]Niemann et al., Nature 438, 779–784 (2005).[2]Lavvas et al., Planetary and Space Science 56, 67 – 99 (2008).[3]Lavvas et al., Planetary and Space Science 56, 27 – 66 (2008).[4] Brown et al., The Cassini-Huygens Mission 111–168 (Springer, 2004).

  2. Plasma Thermal Conversion of Methane to Acetylene

    International Nuclear Information System (INIS)

    This paper describes a re-examination of a known process for the direct plasma thermal conversion of methane to acetylene. Conversion efficiencies (% methane converted) approached 100% and acetylene yields in the 90-95% range with 2-4% solid carbon production were demonstrated. Specificity for acetylene was higher than in prior work. Improvements in conversion efficiency, yield, and specificity were due primarily to improved injector design and reactant mixing, and minimization of temperature gradients and cold boundary layers. At the 60-kilowatt scale cooling by wall heat transfer appears to be sufficient to quench the product stream and prevent further reaction of acetylene resulting in the formation of heavier hydrocarbon products or solid carbon. Significantly increasing the quenching rate by aerodynamic expansion of the products through a converging-diverging nozzle led to a reduction in the yield of ethylene but had little effect on the yield of other hydrocarbon products. While greater product selectivity for acetylene has been demonstrated, the specific energy consumption per unit mass of acetylene produced was not improved upon. A kinetic model that includes the reaction mechanisms resulting in the formation of acetylene and heavier hydrocarbons, through benzene, is described

  3. Acetylene diffusion in Na-Y zeolite

    Indian Academy of Sciences (India)

    S Mitra; S Sumitra; A M Umarji; R Mukhopadhyay; S Yashonath; S L Chaplot

    2004-08-01

    Study of diffusivity of acetylene adsorbed in Na-Y zeolite by quasi-elastic neutron scattering (QENS) measurements at temperatures of 300, 325 and 350 K is reported. A model in which the acetylene molecules undergo random-walk diffusion characterized by a Gaussian distribution of jump lengths inside zeolite cages describes the data consistently. The diffusion constant, residence time between jumps and root mean square jump length are determined.

  4. Vapor pressures of acetylene at low temperatures

    Science.gov (United States)

    Masterson, C. M.; Allen, John E., Jr.; Kraus, G. F.; Khanna, R. K.

    1990-01-01

    The atmospheres of many of the outer planets and their satellites contain a large number of hydrocarbon species. In particular, acetylene (C2H2) has been identified at Jupiter, Saturn and its satellite Titan, Uranus and Neptune. In the lower atmospheres of these planets, where colder temperatures prevail, the condensation and/or freezing of acetylene is probable. In order to obtain accurate models of the acetylene in these atmospheres, it is necessary to have a complete understanding of its vapor pressures at low temperatures. Vapor pressures at low temperatures for acetylene are being determined. The vapor pressures are measured with two different techniques in order to cover a wide range of temperatures and pressures. In the first, the acetylene is placed in a sample tube which is immersed in a low temperature solvent/liquid nitrogen slush bath whose temperature is measured with a thermocouple. The vapor pressure is then measured directly with a capacitance manometer. For lower pressures, a second technique which was called the thin-film infrared method (TFIR) was developed. It involves measuring the disappearance rate of a thin film of acetylene at a particular temperature. The spectra are then analyzed using previously determined extinction coefficient values, to determine the disappearance rate R (where R = delta n/delta t, the number of molecules that disappear per unit time). This can be related to the vapor pressure directly. This technique facilitates measurement of the lower temperatures and pressures. Both techniques have been calibrated using CO2, and have shown good agreement with the existing literature data.

  5. Microporous metal–organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures

    KAUST Repository

    Hu, Tong-Liang

    2015-06-04

    The removal of acetylene from ethylene/acetylene mixtures containing 1% acetylene is a technologically very important, but highly challenging task. Current removal approaches include the partial hydrogenation over a noble metal catalyst and the solvent extraction of cracked olefins, both of which are cost and energy consumptive. Here we report a microporous metal–organic framework in which the suitable pore/cage spaces preferentially take up much more acetylene than ethylene while the functional amine groups on the pore/cage surfaces further enforce their interactions with acetylene molecules, leading to its superior performance for this separation. The single X-ray diffraction studies, temperature dependent gas sorption isotherms, simulated and experimental column breakthrough curves and molecular simulation studies collaboratively support the claim, underlying the potential of this material for the industrial usage of the removal of acetylene from ethylene/acetylene mixtures containing 1% acetylene at room temperature through the cost- and energy-efficient adsorption separation process.

  6. Influence of and additives on acetylene detonation

    Science.gov (United States)

    Drakon, A.; Emelianov, A.; Eremin, A.

    2014-03-01

    The influence of and admixtures (known as detonation suppressors for combustible mixtures) on the development of acetylene detonation was experimentally investigated in a shock tube. The time-resolved images of detonation wave development and propagation were registered using a high-speed streak camera. Shock wave velocity and pressure profiles were measured by five calibrated piezoelectric gauges and the formation of condensed particles was detected by laser light extinction. The induction time of detonation development was determined as the moment of a pressure rise at the end plate of the shock tube. It was shown that additive had no influence on the induction time. For , a significant promoting effect was observed. A simplified kinetic model was suggested and characteristic rates of diacetylene formation were estimated as the limiting stage of acetylene polymerisation. An analysis of the obtained data indicated that the promoting species is atomic chlorine formed by pyrolysis, which interacts with acetylene and produces radical, initiating a chain mechanism of acetylene decomposition. The results of kinetic modelling agree well with the experimental data.

  7. Radical recombinations in acetylene-air flames

    NARCIS (Netherlands)

    Zeegers, P.J.Th.; Alkemade, C.T.J.

    1965-01-01

    In this paper an analysis is given of the behaviour of excess radical concentrations, H, OH and O as a function of height above the reaction zone in premixed acetylene-air flames at 2–200° to 2400°K and 1 atmosphere pressure. The intensity was measured of the Li resonance line which is related to th

  8. Two new acetylenic compounds from Asparagus officinalis.

    Science.gov (United States)

    Li, Xue-Mei; Cai, Jin-Long; Wang, Wen-Xiang; Ai, Hong-Lian; Mao, Zi-Chao

    2016-01-01

    Two new acetylenic compounds, asparoffins A (1) and B (2), together with two known compounds, nyasol (3) and 3″-methoxynyasol (4), were isolated from stems of Asparagus officinalis. The structures of two new compounds were elucidated on the basis of detailed spectroscopic analyses (UV, IR, MS, 1D, and 2D NMR). All compounds were evaluated for their cytotoxicities against three human cancer cell lines.

  9. Two new acetylenic compounds from Asparagus officinalis.

    Science.gov (United States)

    Li, Xue-Mei; Cai, Jin-Long; Wang, Wen-Xiang; Ai, Hong-Lian; Mao, Zi-Chao

    2016-01-01

    Two new acetylenic compounds, asparoffins A (1) and B (2), together with two known compounds, nyasol (3) and 3″-methoxynyasol (4), were isolated from stems of Asparagus officinalis. The structures of two new compounds were elucidated on the basis of detailed spectroscopic analyses (UV, IR, MS, 1D, and 2D NMR). All compounds were evaluated for their cytotoxicities against three human cancer cell lines. PMID:26558641

  10. CO2 laser-driven reactions in pure acetylene flow

    CERN Document Server

    Pikhitsa, Peter V; Choi, Mansoo

    2011-01-01

    We show that multiple-photon absorption of radiation from a 10.56 {\\mu}m cw CO2 laser by intermediates (ethylene, vinylidene) generated in pure acetylene flow makes them decompose to carbon dimers and excited hydrogen. The latter associates with downstream acetylene to feedback those laser absorbing intermediates thus making the reactions self-sustained in the absence of oxygen. This process is different from acetylene self-decomposition that may occur at higher temperature and pressure. The results of our work may be useful for understanding the generation of various carbon allotropes and interstellar dust from acetylene.

  11. Synthesis of acetylenic derivatives of hydroxynaphthoquinone

    International Nuclear Information System (INIS)

    The acetylene derivatives synthesis 2-hydroxy-1 ,4-naphthoquinones was studied using different reaction conditions: coupling with copper and silver acetylides, Sonogashira reaction with and without CU (I) as cocatalyst. The reaction conditions are optimized for coupling of iodine lawson and ylide phenyl lawsone of iodine with various terminal acetylenes: phenyl acetylene, propargyl alcohol, 1-heptin and 2-methyl-3-butyne-2-ol. Also, reactants such as bromides of hidroxinaphthoquinones were used with protecting groups such as acetate, methoxy, phenyloxy, benzyloxy and tricloroetoxy. The synthesis of 2-hydroxy-3-(3-hydroxy-3-ynyl-1-methylbutane)-1,4-naphthoquinone, 2-methoxy-3-(2-phenylethynyl) -1,4-naphthoquinone and 2-(2-phenylethynyl)-3-(2,2,2-tricloroetoxy)-1,4-naphthoquinone was performed with rates of return of 22%, 57% and 67% respectively. The reaction of the yodolawsona was obtained with 3-chloro-3-methyl-1-butyne in the presence of CuI, CsI and Cs2Co3 obtaining the enol ether: 3,3-dimethyl-2-methyl-2 ,3-dihydronaphto [2 ,3-b]furan-4,9-dione (dehydro-α-dunion), with a rate of return of 58%. This enol ether was used as a reactant for the formation, through a regioselective hydrogenation with PtO2/t-butanol of α-dunion with a yield of 50%. Furthermore, by acid hydrolysis with H2SO4 has been possible to obtain a percentage yield of 75% streptocarpone. Both, α-dunion and streptocarpone, natural products extracted from Streptocarpus dunni shrub, with antiparasitic activity, and which so far had not presented an efficient synthesis. A mechanism is proposed for the reaction of formation of the enol ether where it is presumed the presence of a zwitterion-vinyl carbene as key intermediate of the reaction. All products were characterized by spectroscopy 1H and 13C-NMR, UV-Vis and IR. (author)

  12. Acetylenic polymers for hair styling products.

    Science.gov (United States)

    Martiny, S

    2002-06-01

    This paper looks at the basic requirements of hair styling products from a consumer's perspective before moving onto a very brief outline of the various chemistries available to the formulator. It then discusses the manufacture of vinyl pyrrolidone from acetylene. The properties of polyvinyl pyrrolidone are described, followed by the features and benefits of some vinyl pyrrolidone copolymers and terpolymers. The instrumental analysis of the hold, flexibility, tack and combing properties of polymer films is discussed in some detail, along with the effect of application type on these measurable properties concentrating upon vinyl caprolactam/vinyl pyrrolidone/dimethylaminopropyl methacrylamide acrylates copolymer.

  13. Largest Experimental Facility for Acetylene Production in Operation

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    @@ Scientists from the CAS Institute of Plasma Physics (IPP) completed in early November, 2004, a 2-megawatt experimental facility for acetylene production by coal plasma pyrolysis. The successful operation of the largest installation of the kind in the world confirms a new method for the large-scale industrialization of acetylene production.

  14. 76 FR 75782 - Revising Standards Referenced in the Acetylene Standard

    Science.gov (United States)

    2011-12-05

    ... organizations (``SDO standards'') (69 FR 68283). A SDO standard referenced in OSHA's Acetylene Standard (29 CFR... of the Compressed Gas Association standard, CGA G-1-2003, in the Acetylene Standard. See 74 FR 40442... appropriate, revoke references to outdated national SDO standards in OSHA rules (see, e.g., 69 FR 68283, 70......

  15. Acetylene-Based Materials in Organic Photovoltaics

    Directory of Open Access Journals (Sweden)

    Fabio Silvestri

    2010-04-01

    Full Text Available Fossil fuel alternatives, such as solar energy, are moving to the forefront in a variety of research fields. Organic photovoltaic systems hold the promise of a lightweight, flexible, cost-effective solar energy conversion platform, which could benefit from simple solution-processing of the active layer. The discovery of semiconductive polyacetylene by Heeger et al. in the late 1970s was a milestone towards the use of organic materials in electronics; the development of efficient protocols for the palladium catalyzed alkynylation reactions and the new conception of steric and conformational advantages of acetylenes have been recently focused the attention on conjugated triple-bond containing systems as a promising class of semiconductors for OPVs applications. We review here the most important and representative (polyarylacetylenes that have been used in the field. A general introduction to (polyarylacetylenes, and the most common synthetic approaches directed toward making these materials will be firstly given. After a brief discussion on working principles and critical parameters of OPVs, we will focus on molecular arylacetylenes, (copolymers containing triple bonds, and metallopolyyne polymers as p-type semiconductor materials. The last section will deal with hybrids in which oligomeric/polymeric structures incorporating acetylenic linkages such as phenylene ethynylenes have been attached onto C60, and their use as the active materials in photovoltaic devices.

  16. Diamond growth in oxygen-acetylene flame

    International Nuclear Information System (INIS)

    What was supposed to be a laboratory curiosity in the 80's, in recent years the low pressure process for the production of man-made diamond turned out to be a major target for research and development of many high-tech companies. The main reason for such an interest stems on the possibility of coating many materials with a diamond film possessing the same amazing properties of the bulk natural diamond. Polycrystalline diamond film has been deposited on Mo substrate by using oxygen-acetylene flame of a welding torch. The substrate temperature has been held constant about 700deg C by means of a water cooled mount designed properly. Precision flowmeters have been used to control the flow ratio oxygen/acetylene, a key parameter for the success in diamond growth. Diamond has been detected by X-ray diffraction, a fast foolproof technique for crystal identification. Another method of analysis often used in Raman spectroscopy, which is able to exhibit amorphous structure besides crystalline phase. (author)

  17. Acetylene-based materials in organic photovoltaics.

    Science.gov (United States)

    Silvestri, Fabio; Marrocchi, Assunta

    2010-04-08

    Fossil fuel alternatives, such as solar energy, are moving to the forefront in a variety of research fields. Organic photovoltaic systems hold the promise of a lightweight, flexible, cost-effective solar energy conversion platform, which could benefit from simple solution-processing of the active layer. The discovery of semiconductive polyacetylene by Heeger et al. in the late 1970s was a milestone towards the use of organic materials in electronics; the development of efficient protocols for the palladium catalyzed alkynylation reactions and the new conception of steric and conformational advantages of acetylenes have been recently focused the attention on conjugated triple-bond containing systems as a promising class of semiconductors for OPVs applications. We review here the most important and representative (poly)arylacetylenes that have been used in the field. A general introduction to (poly)arylacetylenes, and the most common synthetic approaches directed toward making these materials will be firstly given. After a brief discussion on working principles and critical parameters of OPVs, we will focus on molecular arylacetylenes, (co)polymers containing triple bonds, and metallopolyyne polymers as p-type semiconductor materials. The last section will deal with hybrids in which oligomeric/polymeric structures incorporating acetylenic linkages such as phenylene ethynylenes have been attached onto C(60), and their use as the active materials in photovoltaic devices.

  18. A mid-infrared absorption diagnostic for acetylene detection

    KAUST Repository

    KC, Utsav

    2015-05-14

    Acetylene is an important combustion intermediate and plays a critical role in soot formation. Accurate measurements of trace concentrations of acetylene can be very useful in validating hydrocarbon oxidation and soot formation mechanisms. Strongest vibrational band of acetylene near 13.7 μm is probed here to develop a highly sensitive absorption diagnostic. Experiments are carried out behind reflected shock waves to measure absorption cross sections of acetylene near 730 cm−1 over a wide range of temperatures (1000–2200 K) and pressures (1–5 bar). The diagnostic is demonstrated by measuring acetylene formation during the shock-heated pyrolysis and oxidation of propene. © 2015 Springer-Verlag Berlin Heidelberg

  19. Synthesis and Antifeeding Activity of Acetylene-Containing Tonghaosu Analogs

    Institute of Scientific and Technical Information of China (English)

    CHEN,Li; HU,Tai-Shan; XU,Han-Hong; YIN,Biao-Lin; XIAO,Chun; WU,Yu-Lin

    2004-01-01

    @@ During our continuous efforts towards the search for environmental benign insect antifeedant, we established a concise method for the synthesis of Tonghaosu, a naturally occurring antifeedant.[1] Herein, we report the synthesis and antifeeding activity of 22 new tonghaosu analogs, which contain varied B ring as well as one or two acetylene functionalities. Preliminary bioassay indicates that two acetylene groups containing tonghaosu analogs have better antifeedant activity against large white butterfly (Pieris brassicae L.) than those with one acetylene group. More interestingly,Z-isomers are much more active than their corresponding E-isomers.

  20. CHIRAL CONJUGATED OLIGOMER BASED ON 1,1'-BINOL WITH 3,3'-ACETYLENE-PHENYLENE-ACETYLENE SPACER

    Institute of Scientific and Technical Information of China (English)

    Tian-jun Liu; Ke-shen Zhang; Yong-jun Chen; Dong Wang; Chao-jun Li

    2001-01-01

    The 1,1'-binaphthol based oligomers 3 and 7 with 3,3'-acetylene-phenylene-acetylene spacer were prepared from BINOL 1. The high optical rotation value and CD spectra demonstrated the main chain chirality of the oligomer molecule. The UV-VIS and fluorescent spectra evidence the characteristics of conjugated structure. In comparison with oligomer 2 bearing 3,3'-acetylene spacer, the oligomers 3 and 7 have longer efficient conjugation segment, and their fluorescent quantum yields (φ) increased (0.60-0.65 versus 0.14). Extending the effective conjugation segment would improve the photophysical properties of chiral conjugated polymers.``

  1. Self-condensation of Terminal Acetylenic Ketones vta Organozinc Species

    Institute of Scientific and Technical Information of China (English)

    GAO Jun-Li; LIU Yong-Kang; XUE Song

    2008-01-01

    A self-condensation reaction of a,β-acetylenic ketones via organozinc species CF3CO2ZnEt to afford the β-branched Morita-Baylfis-Hillman adducts has been developed.This reaction system provides functionalized trisubstituted olefins in good yields.Organozinc species CF3CO2ZnCH2I,an efficient cyclopropanation reagent,can also react with aromatic acetylenic ketones to provide 2,5-dihydrofurans in moderate yields.

  2. PLASMA POLYMERIZATION OF ACETYLENE/CO2/H2

    Institute of Scientific and Technical Information of China (English)

    ZHENG Ji; FANG Yuee; SHI Tianyi; SHOHEI INOUE

    1989-01-01

    A study has been made on the plasma polymerization of acetylene/CO2/H2 in a capacitively coupled RF plasma. The monomer mixture yielded a crosslinked film with light brown color. A kinetic study is reported for the plasma polymerization of acetylene/CO2/H2. The effects of discharge power level and reactor geometry on the rate of polymer formation are reported. The structure of the plasma polymer is investigated by IR study.

  3. Acetylene on Titan’s Surface

    Science.gov (United States)

    Singh, S.; McCord, T. B.; Combe, J.-Ph.; Rodriguez, S.; Cornet, T.; Le Mouélic, S.; Clark, R. N.; Maltagliati, L.; Chevrier, V. F.

    2016-09-01

    Titan’s atmosphere is opaque in the near-infrared due to gaseous absorptions, mainly by methane, and scattering by aerosols, except in a few “transparency windows.” Thus, the composition of Titan’s surface remains difficult to access from space and is still poorly constrained. Photochemical models suggest that most of the organic compounds formed in the atmosphere are heavy enough to condense and build up at the surface in liquid and solid states over geological timescales. Acetylene (C2H2) net production in the atmosphere is predicted to be larger than any other compound and C2H2 has been speculated to exist on the surface of Titan. C2H2 was detected as a trace gas sublimated/evaporated from the surface using the Gas Chromatograph Mass Spectrometer after the landing of the Huygens probe. Here we show evidence of C2H2 on the surface of Titan by detecting absorption bands at 1.55 and 4.93 μm using the Cassini Visual and Infrared Mapping Spectrometer at three different equatorial areas—Tui Regio, eastern Shangri La, and Fensal–Aztlan/Quivira. We found that C2H2 is preferentially detected in low-albedo areas, such as sand dunes and near the Huygens landing site. The specific location of the C2H2 detections suggests that C2H2 is mobilized by surface processes, such as surface weathering by liquids through dissolution/evaporation processes.

  4. Channel-resolved above-threshold double ionization of acetylene.

    Science.gov (United States)

    Gong, Xiaochun; Song, Qiying; Ji, Qinying; Lin, Kang; Pan, Haifeng; Ding, Jingxin; Zeng, Heping; Wu, Jian

    2015-04-24

    We experimentally investigate the channel-resolved above-threshold double ionization (ATDI) of acetylene in the multiphoton regime using an ultraviolet femtosecond laser pulse centered at 395 nm by measuring all the ejected electrons and ions in coincidence. As compared to the sequential process, diagonal lines in the electron-electron joint energy spectrum are observed for the nonsequential ATDI owing to the correlative sharing of the absorbed multiphoton energies. We demonstrate that the distinct channel-resolved sequential and nonsequential ATDI spectra can clearly reveal the photon-induced acetylene-vinylidene isomerization via proton migration on the cation or dication states. PMID:25955049

  5. Synthesis of functional acetylene derivatives from calcium carbide.

    Science.gov (United States)

    Lin, Zhewang; Yu, Dingyi; Sum, Yin Ngai; Zhang, Yugen

    2012-04-01

    AHA Erlebnis: CaC(2), used to produce acetylene until several decades ago, is re-emerging as a cheap, sustainable resource synthesized from coal and lignocellulosic biomass. We report efficient catalytic protocols for the synthesis of functional acetylene derivatives from CaC(2) through aldehyde, alkyne, and amine (AAA) as well as alkyne, haloalkane, and amine (AHA) couplings, and in addition demonstrate its use in click and Sonogashira chemistry, showing that calcium carbide is a sustainable and cost-efficient carbon source.

  6. 76 FR 75840 - Revising Standards Referenced in the Acetylene Standard

    Science.gov (United States)

    2011-12-05

    ... language from outdated standards published by standards developing organizations (``SDO standards'') (69 FR... Association standard, CGA G-1-2003, in the Acetylene Standard. See 74 FR 40442 and 74 FR 40450, respectively... outdated standard; and impose no significant new compliance costs on employers (69 FR 68283, 68285).......

  7. 77 FR 13969 - Revising Standards Referenced in the Acetylene Standard

    Science.gov (United States)

    2012-03-08

    ... Association (GGA) acetylene standard (see 76 FR 75782). In the DFR, OSHA deleted reference to CGA G-1-2003 and... final rule published on December 5, 2011 (76 FR 75782), is effective on March 5, 2012. For the purposes....C. 553, Secretary of Labor's Order 1-2012 (77 FR 3912), and 29 CFR part 1911. Signed at...

  8. Radiation-induced crosslinking of acetylene-impregnated polyesters

    International Nuclear Information System (INIS)

    Enhanced crosslinking and reduction in chain scission are found in the amorphous regions of polycrystalline polyesters, when they are irradiated in the presence of acetylene. Increasing the chain length of the alkyl moiety is also found to decrease the extent of damaging main chain scission

  9. Acetylene Resembling Effect of Ethylene on Seed Germination: Evaluating the Effect of Acetylene Released from Calcium Carbide

    Directory of Open Access Journals (Sweden)

    Kambiz MASHAYEKHI

    2015-09-01

    Full Text Available Some vegetable seeds need a very long time to germinate. In these kinds of seeds the second phase of germination is very long. As acetylene’s chemical structure is almost similar to the gaseous hormone ethylene, its’ physiological effect on seed germination should be very similar as well. Therefore, an experiment was established in order to enhance seed germination, by treating seeds with acetylene released from interaction of calcium carbide (CaC2 with water (H2O. A simple system was designed for efficient and proper use of gaseous acetylene resulted from the two substrates interaction, which conducted the produced gas obtained inside the interaction chamber into a sealed container wherein seeds were floating in water. This experiment aimed to evaluate the effect of one concentration of acetylene with different exposure periods (between 1 to 8 hours on parsley, celery and Swees chard seeds’ germination (chosen as late germinating vegetables. The effect of acetylene on seed germination speed and percent was investigated. There were significant differences in both percent and speed of germination within the various treatments. By floating for 3, 5 and 3 hours for parsley, celery and Swiss chard respectively, the highest germination rates were observed. The highest germination speed was achieved by 5, 5 and 3 hours floating respectively for parsley, celery and Swiss chard. Based on the results obtained, the current experiment suggests that acetylene has positive effect on enhancing seed germination of named vegetables, and played the role of ethylene, its effects resembling in regard to seed germination process.

  10. Acetylene bubble-powered autonomous capsules: towards in situ fuel.

    Science.gov (United States)

    Moo, James Guo Sheng; Wang, Hong; Pumera, Martin

    2014-12-28

    A fuel-free autonomous self-propelled motor is illustrated. The motor is powered by the chemistry of calcium carbide and utilising water as a co-reactant, through a polymer encapsulation strategy. Expulsion of acetylene bubbles powers the capsule motor. This is an important step, going beyond the toxic hydrogen peroxide fuel used normally, to find alternative propellants for self-propelled machines.

  11. Acetylene-Accelerated Alcohol Catalytic CVD Growth of Vertically Aligned Single-Walled Carbon Nanotubes

    OpenAIRE

    R. Xiang; Einarsson, E.; Okawa, J.; Miyauchi, Y.; Maruyama, S.

    2008-01-01

    Addition of only 1% of acetylene into ethanol was found to enhance the growth rate of singlewalled carbon nanotubes (SWNTs) by up to ten times. Since acetylene is a byproduct of the thermal decomposition of ethanol, this suggests an alternative fast reaction pathway to the formation of SWNTs from ethanol via byproducts of decomposition. This accelerated growth, however, only occurred in the presence of ethanol, whereas pure acetylene at the same partial pressure resulted in negligible growth ...

  12. Assay of the deuterium enrichment of water via acetylene.

    Science.gov (United States)

    Previs, S F; Hazey, J W; Diraison, F; Beylot, M; David, F; Brunengraber, H

    1996-06-01

    A technique is presented for measuring the 2H enrichment of water in biological samples when this enrichment is greater than 0.2%. The sample is reacted with calcium carbide to form acetylene gas, which is determined by gas chromatography electron impact ionization mass spectrometry. Ion-molecule reactions, resulting in proton abstraction, are minimized by lowering the electron ionization energy from the usual 70 eV to 45 eV. This technique is much more rapid and economical than the classical isotope ratio mass spectrometric assay of the enrichment of hydrogen gas derived from reduction of water.

  13. Quantification and removal of some contaminating gases from acetylene used to study gas-utilizing enzymes and microorganisms.

    Science.gov (United States)

    Hyman, M R; Arp, D J

    1987-02-01

    Acetylene generated from various grades of calcium carbide and obtained from commercial- and purified-grade acetylene cylinders was shown to contain high concentrations of various contaminants. Dependent on the source of acetylene, these included, at maximal values, H(2) (0.023%), O(2) (0.779%), N(2) (3.78%), PH(3) (0.06%), CH(4) (0.073%), and acetone (1 to 10%). The concentration of the contaminants in cylinder acetylene was highly dependent on the extent of cylinder discharge. Several conventional methods used to partially purify cylinder acetylene were compared. A small-scale method for extensively purifying acetylene is described. An effect of acetylene quality on acetylene reduction assays conducted with purified nitrogenase from Azotobacter vinelandii was demonstrated.

  14. BASF and acetylene. 70 years of reppe chemistry - long-standing reliability and promising future - and now, the only natural gas based clean technology for acetylene production

    Energy Technology Data Exchange (ETDEWEB)

    Vicari, M. [BASF SE, Ludwigshafen (Germany)

    2013-11-01

    Acetylene is still an attractive intermediate synthesis component because carbon in methane from natural gas comes at a lower price than carbon in naphtha from crude oil or coal. Acetylene can be understood as a product of C-C coupling and functionalization. Beginning in the 1950s, BASF developed the partial oxidation (Pox) process, in addition to the electric arc process dating from the 1930s and the submerged flame process. The originally developed Pox process came along with severe emissions of hydrocarbons to the environment. Nowadays it is extremely important to have a clean, environmentally friendly technology. So in the 1990s a closed water-quench process was developed and built in the United States. The presentation focuses on the ways of making acetylene, the use of acetylene and BASF's closed water-quench process based on natural gas. This process will be presented including some important safety aspects. The process is available for licensing. (orig.)

  15. 46 CFR 56.50-103 - Fixed oxygen-acetylene distribution piping.

    Science.gov (United States)

    2010-10-01

    ... outlet stations. (c) Acetylene distribution piping and pipe fittings must be seamless steel. Copper..., and other equipment used with acetylene. (d) Oxygen distribution piping and pipe fittings must be seamless steel or copper. (e) When more than two cylinders are connected to a manifold, the supply...

  16. A first principles study of the acetylene-water interaction

    International Nuclear Information System (INIS)

    We present an extensive study of the stationary points on the acetylene-water (AW) ground-state potential energy surface (PES) aimed in establishing accurate energetics for the two different bonding scenarios that are considered. Those include arrangements in which water acts either as a proton acceptor from one of the acetylene hydrogen atoms or a proton donor to the triple bond. We used a hierarchy of theoretical methods to account for electron correlation [MP2 (second-order Moller-Plesset), MP4 (fourth-order Moller-Plesset), and CCSD(T) (coupled-cluster single double triple)] coupled with a series of increasing size augmented correlation consistent basis sets (aug-cc-pVnZ, n=2,3,4). We furthermore examined the effect of corrections due to basis set superposition error (BSSE). We found that those have a large effect in altering the qualitative features of the PES of the complex. They are responsible for producing a structure of higher (C2v) symmetry for the global minimum. Zero-point energy (ZPE) corrections were found to increase the stability of the C2v arrangement. For the global (water acceptor) minimum of C2v symmetry our best estimates are ΔEe=-2.87 kcal/mol (ΔE0=-2.04 kcal/mol) and a van der Waals distance of Re=2.190 Aa. The water donor arrangement lies 0.3 kcal/mol (0.5 kcal/mol including ZPE corrections) above the global minimum. The barrier for its isomerization to the global minimum is Ee=0.18 kcal/mol; however, inclusion of BSSE- and ZPE-corrections destabilize the water donor arrangement suggesting that it can readily convert to the global minimum. We therefore conclude that there exists only one minimum on the PES in accordance with previous experimental observations. To this end, vibrational averaging and to a lesser extend proper description of intermolecular interactions (BSSE) were found to have a large effect in altering the qualitative features of the ground-state PES of the acetylene-water complex. (c) 2000 American Institute of Physics

  17. Effect of acetylene flow rate on morphology and structure of carbon nanotube thick films grown by thermal chemical vapor deposition

    Institute of Scientific and Technical Information of China (English)

    CAO Zhangyi; SUN Zhuo; GUO Pingsheng; CHEN Yiwei

    2007-01-01

    Carbon nanotube (CNT) films were grown on nickel foil substrates by thermal chemical vapor deposition (CVD) with acetylene and hydrogen as the precursors. The morphology and structure of CNTs depending on the acetylene flow rate were characterized by a scanning electron microscope (SEM),a transmission electron microscope (TEM) and a Raman spectrometer,respectively.The effect of acetylene flow rate on the morphology and structure of CNT films was investigated.By increasing the acetylene flow rate from 10 to 90 sccm (standard cubic centimeter perminute),the yield and the diameter of CNTs increase.Also, the defects and amorphous phase in CNT films increase with increasing acetylene flow rate.

  18. Watching the acetylene vinylidene intramolecular reaction in real time

    CERN Document Server

    Jiang, Y H; Rudenko, A; Madjet, M E; Vendrell, O; Kurka, M; Schnorr, K; Foucar, L; Kübel, M; Herrwerth, O; Lezius, M; Kling, M F; van Tilborg, J; Belkacem, A; Ueda, K; Düsterer, S; Treusch, R; Schröter, C D; Santra, R; Ullrich, J; Moshammer, R

    2014-01-01

    It is a long-standing dream of scientists to capture the ultra-fast dynamics of molecular or chemical reactions in real time and to make a molecular movie. With free-electron lasers delivering extreme ultraviolet (XUV) light at unprecedented intensities, in combination with pump-probe schemes, it is now possible to visualize structural changes on the femtosecond time scale in photo-excited molecules. In hydrocarbons the absorption of a single photon may trigger the migration of a hydrogen atom within the molecule. Here, such a reaction was filmed in acetylene molecules (C2H2) showing a partial migration of one of the protons along the carbon backbone which is consistent with dynamics calculations on ab initio potential energy surfaces. Our approach opens attractive perspectives and potential applications for a large variety of XUV-induced ultra-fast phenomena in molecules relevant to physics, chemistry, and biology.

  19. Acetylene fuel from atmospheric CO2 on Mars

    Science.gov (United States)

    Landis, Geoffrey A.; Linne, Diane L.

    1992-01-01

    The Mars mission scenario proposed by Baker and Zubrin (1990) intended for an unmanned preliminary mission is extended to maximize the total impulse of fuel produced with a minimum mass of hydrogen from Earth. The hydrogen along with atmospheric carbon dioxide is processed into methane and oxygen by the exothermic reaction in an atmospheric processing module. Use of simple chemical reactions to produce acetylene/oxygen rocket fuel on Mars from hydrogen makes it possible to produce an amount of fuel that is nearly 100 times the mass of hydrogen brought from earth. If such a process produces the return propellant for a manned Mars mission, the required mission mass in LEO is significantly reduced over a system using all earth-derived propellants.

  20. Acetylene as Fast Food: Implications for Development of Life on Anoxic Primordial Earth and in the Outer Solar System

    Science.gov (United States)

    Oremland, Ronald S.; Voytek, Mary A.

    2008-02-01

    Acetylene occurs, by photolysis of methane, in the atmospheres of jovian planets and Titan. In contrast, acetylene is only a trace component of Earth's current atmosphere. Nonetheless, a methane-rich atmosphere has been hypothesized for early Earth; this atmosphere would also have been rich in acetylene. This poses a paradox, because acetylene is a potent inhibitor of many key anaerobic microbial processes, including methanogenesis, anaerobic methane oxidation, nitrogen fixation, and hydrogen oxidation. Fermentation of acetylene was discovered 25 years ago, and Pelobacter acetylenicus was shown to grow on acetylene by virtue of acetylene hydratase, which results in the formation of acetaldehyde. Acetaldehyde subsequently dismutates to ethanol and acetate (plus some hydrogen). However, acetylene hydratase is specific for acetylene and does not react with any analogous compounds. We hypothesize that microbes with acetylene hydratase played a key role in the evolution of Earth's early biosphere by exploiting an available source of carbon from the atmosphere and in so doing formed protective niches that allowed for other microbial processes to flourish. Furthermore, the presence of acetylene in the atmosphere of a planet or planetoid could possibly represent evidence for an extraterrestrial anaerobic ecosystem.

  1. Acetylene as fast food: Implications for development of life on anoxic primordial earth and in the outer solar system

    Science.gov (United States)

    Oremland, R.S.; Voytek, M.A.

    2008-01-01

    Acetylene occurs, by photolysis of methane, in the atmospheres of jovian planets and Titan. In contrast, acetylene is only a trace component of Earth's current atmosphere. Nonetheless, a methane-rich atmosphere has been hypothesized for early Earth; this atmosphere would also have been rich in acetylene. This poses a paradox, because acetylene is a potent inhibitor of many key anaerobic microbial processes, including methanogenesis, anaerobic methane oxidation, nitrogen fixation, and hydrogen oxidation. Fermentation of acetylene was discovered 25 years ago, and Pelobacter acetylenicus was shown to grow on acetylene by virtue of acetylene hydratase, which results in the formation of acetaldehyde. Acetaldehyde subsequently dismutates to ethanol and acetate (plus some hydrogen). However, acetylene hydratase is specific for acetylene and does not react with any analogous compounds. We hypothesize that microbes with acetylene hydratase played a key role in the evolution of Earth's early biosphere by exploiting an available source of carbon from the atmosphere and in so doing formed protective niches that allowed for other microbial processes to flourish. Furthermore, the presence of acetylene in the atmosphere of a planet or planetoid could possibly represent evidence for an extraterrestrial anaerobic ecosystem. ?? Mary Ann Liebert, Inc.

  2. A Convenient Synthesis of Conjugated Acetylenic Ketones by Copper(l)-Catalyzed under Microwave Irradiation

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@ Alkynyl ketones are useful precursors and intermediates in synthetic organic chemistry1 and has evoked considerable interest. A number of methods for the synthesis of conjugated acetylenic ketones involve the reaction a metal acetylide with an acyl chlorides or another carboxylic acid derivative have been developed 2. Recently, the synthesis of α, β-conjugated acetylenic ketones catalyzed by Pd(Ⅱ) or by copper(Ⅰ)pd(Ⅱ) reaction of 1-alkynes and acyl chlorides have been described. The acylation of terminal alkynes by acyl chlorides in the presence of catalytic amounts copper(Ⅰ) salts leading to α, β-conjugated acetylenic ketones has also been reported. However, many of these reactions suffer from lack of high pressure (17 atm), long reaction time (30 h)and require low temperatures (-78℃). Our work involves the synthesis of conjugated acetylenic ketones via the reaction of terminal alkynes with aroyl chlorides in the presence of cuprous iodide under microwave irradiation conditions.

  3. Co-generation of acetylene and hydrogen for a carbide-based fuel system

    Energy Technology Data Exchange (ETDEWEB)

    Carreiro, Louis G.; Burke, A. Alan [Naval Undersea Warfare Center Division Newport, Code 8231, 1176 Howell Street, Newport, RI 02841 (United States); Dubois, Lily [Stonehill College, Department of Chemistry, 320 Washington Street, Easton, MA 02357 (United States)

    2010-09-15

    The co-generation of acetylene and hydrogen from the hydrolysis of calcium carbide and calcium hydride was investigated as part of a unique carbide-based fuel system intended for high-temperature fuel cells. To gain better control of this highly energetic reaction, glycerin was used to coat the reactant particles to form slurry prior to their reaction with water. This process was shown to moderate the rate of gas production, as well as to provide a means for preparing slurry that could be pumped into the reactor vessel. It was also observed that the presence of calcium hydroxide, a by-product of hydrolysis, lowered the solubility of acetylene resulting in a higher initial flow rate due to less acetylene being dissolved in solution. However, the buildup of calcium hydroxide with time inhibited the hydrolysis of both calcium carbide and calcium hydride causing the acetylene and hydrogen flow rates to decrease. (author)

  4. Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene

    KAUST Repository

    Cui, X.

    2016-05-20

    The trade-off between physical adsorption capacity and selectivity of porous materials is a major barrier for efficient gas separation and purification through physisorption. We report control over pore chemistry and size in metal coordination networks with hexafluorosilicate and organic linkers for the purpose of preferential binding and orderly assembly of acetylene molecules through cooperative host-guest and/or guest-guest interactions. The specific binding sites for acetylene are validated by modeling and neutron powder diffraction studies. The energies associated with these binding interactions afford high adsorption capacity (2.1 millimoles per gram at 0.025 bar) and selectivity (39.7 to 44.8) for acetylene at ambient conditions. Their efficiency for the separation of acetylene/ethylene mixtures is demonstrated by experimental breakthrough curves (0.73 millimoles per gram from a 1/99 mixture).

  5. On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene

    DEFF Research Database (Denmark)

    Studt, Felix; Abild-Pedersen, Frank; Bligaard, Thomas;

    2008-01-01

    Summing Me up: DFT calculations have shown that alloying, subsurface carbon, and hydride formation, all increase the selectivity of Pd catalysts for acetylene hydrogenation by weakening the surface–adsorbate bond. A simple descriptor—the adsorption energy of a methyl group—has been used to quantify...... and compare the different effects in the adsorption of acetylene and ethylene on various transition-metal surfaces (see picture)....

  6. Effect of surface free energy of acetylene black powder on air electrode performance

    Institute of Scientific and Technical Information of China (English)

    OU Xiuqin; LIU Shuguang; LIANG Guangchuan; LI Ying; ZHI Xiaoke; HAN Bin

    2006-01-01

    The effects of acetylene black powder surface free energy on air electrode electrochemical performance and lifetime were studied. The acetylene black was immersed in 30% H2O2 at room temperature and the changes of functional groups and surface free energy were investigated by X-ray Photoelectron Spectroscopy (XPS) and powder contact angle (CA). The air electrode performance was characterized by the potential polarization curves and the lifetime was measured by constant-current discharge. It shows that, its surface free energy is the lowest when the acetylene black is immersed in H2O2 for 240 h. The polarization potential of the air electrode prepared by the pretreated acetylene black is 0.25 V(vs. Hg/HgO), 0.21 V lower than the air electrode with untreated acetylene black when the working current density is 100 mA·cm-1 . And its lifetime is over 800 h at 80 mA·cm-1 . The pretreatment of acetylene black for proper time by H2O2 is favorable for the stability of the tri-phase reaction interface of air electrode and improvement of its performance.

  7. Stability improvement of the Nieuwland catalyst in the dimerization of acetylene to monovinylacetylene

    Institute of Scientific and Technical Information of China (English)

    Jianguo Liu; Yizan Zuo; Minghan Han; Zhanwen Wang; Dezheng Wang

    2012-01-01

    In the process of dimerization of acetylene to produce monovinylacetylene (MVA),the loss of active component CuCl in the Nieuwland catalyst due to the formation of a dark red precipitate was investigated.The formula of the precipitate was CuCl·2C2H2·1/5NH3,and it was presumed to be formed by the combination of NH3,C2H2 and [Cu]-acetylene π-complex,which was an intermediate in the dimerization reaction.The addition of hydrochloric acid into the catalyst can reduce the formation of precipitate,whereas excessive H+ is unfavorable to the dimerization reaction of acetylene.To balance between high acetylene conversion and low loss rate of CuCl,the optimum mass percentage of HCl in the added hydrochloric acid was determined.The result showed the optimum mass percentage of HCl decreased from 5.0% to 3.2% when the space velocity of acetylene was from 140 h-1 to 360 h-1.The result in this work also indicated the pH of the Nieuwland catalyst should be kept in the range of 5.80-5.97 during the reaction process,which was good for both catalyst life and acetylene conversion.

  8. Discovery, Development, and Commercialization of Gold Catalysts for Acetylene Hydrochlorination.

    Science.gov (United States)

    Johnston, Peter; Carthey, Nicholas; Hutchings, Graham J

    2015-11-25

    Vinyl chloride monomer (VCM) is a major chemical intermediate for the manufacture of polyvinyl chloride (PVC), which is the third most important polymer in use today. Hydrochlorination of acetylene is a major route for the production of vinyl chloride, since production of the monomer is based in regions of the world where coal is abundant. Until now, mercuric chloride supported on carbon is used as the catalyst in the commercial process, and this exhibits severe problems associated with catalyst lifetime and mercury loss. It has been known for over 30 years that gold is a superior catalyst, but it is only now that it is being commercialized. In this Perspective we discuss the use and disadvantages of the mercury catalyst and the advent of the gold catalysts for this important reaction. The nature of the active site and the possible reaction mechanism are discussed. Recent advances in the design and preparation of active gold catalysts containing ultralow levels of gold are described. In the final part, a view to the future of this chemistry will be discussed as well as the possible avenues for the commercial potential of gold catalysis. PMID:26529366

  9. VOLT-AMPERE CHARACTERISTICS OF CIS-POLY (PHENYL ACETYLENE)

    Institute of Scientific and Technical Information of China (English)

    HONG Haiping; ZHOU Shuqin; JIN Xiangfeng; QIAN Renyuan; Anita FURLANI

    1991-01-01

    The volt-ampere (I-V) characteristics of the cis-poly (phenyl acetylene) (PPA) of cis-transoidal structure has been studied in the temperature range of 253-288K. An ITO/ PPA/ Au sandwich configuration was used for the measurements. Under an applied field of less than 105V/ cm it showed ohmic behavior, while the space charge.limited current (SCLC) was observed at applied fields above 5 × 105V/ cm. In the ohmic region a conductivity of 1.37× 10-16S/ cm was obtained at room temperature with an activation energy of 0.5 eV. These data indicate that the conduction is not intrinsic one but is the result of thermal release of trapped carriers. In fact the data in the SCLC region treated according to the theory for a single Gaussian distribution of traps gave a mean trap energy of 0.48 eV with a half-width of 0.4 eV and a total density of trapping states of 5× 1016/ cm3 .

  10. Ionization of large homogeneous and heterogeneous clusters generated in acetylene-Ar expansions: Cluster ion polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Kocisek, J.; Lengyel, J.; Farnik, M. [J. Heyrovsky Institute of Physical Chemistry v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague (Czech Republic)

    2013-03-28

    Pure acetylene and mixed Ar-acetylene clusters are formed in supersonic expansions of acetylene/argon mixtures and analysed using reflectron time-of-flight mass spectrometer with variable electron energy ionization source. Acetylene clusters composed of more than a hundred acetylene molecules are generated at the acetylene concentration of Almost-Equal-To 8%, while mixed species are produced at low concentrations ( Almost-Equal-To 0.7%). The electron energy dependence of the mass spectra revealed the ionization process mechanisms in clusters. The ionization above the threshold for acetylene molecule of 11.5 eV results in the main ionic fragment progression (C{sub 2}H{sub 2}){sub n}{sup +}. At the electron energies Greater-Than-Or-Slanted-Equal-To 21.5 eV above the CH+CH{sup +} dissociative ionization limit of acetylene the fragment ions nominally labelled as (C{sub 2}H{sub 2}){sub n}CH{sup +}, n Greater-Than-Or-Slanted-Equal-To 2, are observed. For n Less-Than-Or-Slanted-Equal-To 7 these fragments correspond to covalently bound ionic structures as suggested by the observed strong dehydrogenation [(C{sub 2}H{sub 2}){sub n}-k Multiplication-Sign H]{sup +} and [(C{sub 2}H{sub 2}){sub n}CH -k Multiplication-Sign H]{sup +}. The dehydrogenation is significantly reduced in the mixed clusters where evaporation of Ar instead of hydrogen can stabilize the nascent molecular ion. The C{sub 3}H{sub 3}{sup +} ion was previously assigned to originate from the benzene molecular ion; however, the low appearance energy of Almost-Equal-To 13.7 eV indicates that a less rigid covalently bound structure of C{sub 6}H{sub 6}{sup +} ion must also be formed upon the acetylene cluster electron ionization. The appearance energy of Ar{sub n}(C{sub 2}H{sub 2}){sup +} fragments above Almost-Equal-To 15.1 eV indicates that the argon ionization is the first step in the fragment ion production, and the appearance energy of Ar{sub n{>=}2}(C{sub 2}H{sub 2}){sub m{>=}2}{sup +} at Almost-Equal-To 13

  11. Acetylene Fermentation: Relevance to Primordial Biogeochemistry and the Search for Life in the Outer Solar System

    Science.gov (United States)

    Oremland, R. S.; Baesman, S. M.; Miller, L. G.

    2013-12-01

    Acetylene is a highly reactive component of planet(oid)s with anoxic, methane-rich atmospheres, such as Jupiter, Saturn, Titan, and perhaps the primordial Earth. Included in this group is Enceladus, although it is not clear if the acetylene detected within its jets by Cassini was formed by photolysis of methane, from thermo-catalysis of organic matter in the orb's interior, or a fragmentation artifact of the mass spectrum of a larger hydrocarbon. Acetylene inhibits many microbial processes (e.g., methanogenesis, methane oxidation, hydrogen metabolism, denitrification) yet a number of anaerobes can use it as a carbon and energy source to support growth. The best studied is Pelobacter acetylenicus, which carries out a two-step reaction involving the enzymes acetylene hydratase and acetaldehyde dismutase. The former, a low potential W-containing enzyme, forms acetaldehyde while the latter produces ethanol and acetate. Metabolism of acetylene by mixed microbial communities (sediments and/or enrichment cultures) produces these intermediates, and when coupled with sulfate-reduction or methanogenesis respectively forms CO2 or an equal mixtures of CO2 plus CH4. It is not inconceivable that such an anaerobic, microbial food chain could exist in the waters beneath the ice cap of Enceladus, Titan, or even in the mesothermal atmospheric regions of the gas giants. Detection of the identified intermediate products of acetylene fermentation, namely acetaldehyde, ethanol, acetate and formate in the atmospheres of these planet(oid)s would constitute evidence for a microbial life signature. This evidence would be strongly reinforced if a stable carbon isotope fractionation was identified as well, whereby the products of acetylene fermentation were enriched in 12C relative to 13C (i.e., had a lighter δ13C signal) when compared to that of the starting acetylene. The most practical target to test this hypothesis would be Enceladus (if the detected acetylene is shown to be a real

  12. Acetylene fuels reductive dechlorination of TCE by Dehalococcoides/Pelobacter-containing microbial consortia

    Science.gov (United States)

    Oremland, R. S.; Mao, X.; Mahandra, C.; Baesman, S. M.; Gushgari, S.; Alvarez-Cohen, L.; Liu, T.

    2015-12-01

    Groundwater contamination by trichloroethene (TCE) poses a threat to health and leads to the generation of vinyl chloride (VC), a carcinogen. Dehalococcoides mccartyi is the only bacterium that can completely dechlorinate TCE to ethene (C2H4). Acetylene (C2H2) occurs in TCE-contaminated sites as a consequence of chemical degradation of TCE. Yet acetylene inhibits a variety of microbial processes including methanogesis and reductive dechlorination. Pelobacter acetylenicus and related species can metabolize acetylene via acetylene hydratase and acetaldehyde dismutatse thereby generating acetate and H2 as endproducts, which could serve as electron donor and carbon source for growth of D. mccartyi. We found that 1mM acetylene (aqueous) inhibits growth of D. mccartyi strain 195 on 0.3 mM TCE, but that the inhibition was removed after 12 days with the addition of an acetylene-utilizing isolate from San Francisco Bay, Pelobacter strain SFB93. TCE did not inhibit the growth of this Pelobacter at the concentrations tested (0.1-0.5 mM) and TCE was not consumed by strain SFB93. Co-cultures of strain 195 with strain SFB93 at 5% inoculation were established in 120 mL serum bottles containing 40 mL defined medium. TCE was supplied at a liquid concentration of 0.1 mM, with 0.1 mM acetylene and N2/CO2 (90:10 v/v) headspace at 34 °C. Co-cultures were subsequently transferred (5% vol/vol inoculation) to generate subcultures after 20 μmol TCE was reduced to VC and 36 μmol acetylene was depleted. Aqueous H2 ranged from 114 to 217 nM during TCE-dechlorination, and the cell yield of strain 195 was 3.7 ±0.3 × 107 cells μmol-1 Cl- released. In a D. mccartyi-containing enrichment culture (ANAS) under the same conditions as above, it was found that inhibition of dechlorination by acetylene was reversed after 19 days by adding SFB93. Thus we showed that a co-culture of Pelobacter SFB93 and D. mccartyi 195 could be maintained with C2H2 as the electron donor and carbon source while TCE

  13. Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds.

    Science.gov (United States)

    Zhang, Hongyu; Luo, Youhua; Feng, Xiaojuan; Zhao, Lixia; Zhang, Meng

    2015-08-21

    The energetic and electronic properties of acetylenic-bond-interconnected hexagonal boron nitride sheets (BNyne), in which the number of rows of BN hexagonal rings (denoted as BN width) between neighboring arrays of acetylenic linkages increases consecutively, have been explored using first-principles calculations. Depending on the spatial position of B/N atoms with respect to the acetylenic linkages, there are two different types of configurations. The band structure features and band gap evolutions of BNyne structures as a function of the BN width can be categorized into two families, corresponding to two distinct types of configurations. In particular, for both types of BNyne structures, the band gap variations exhibit odd-even oscillating behavior depending on the BN width, which is related to the different symmetries of acetylenic chains in the unit cell. These results suggest that the embedded linear acetylenic chains can provide more flexibility for manipulation of the atomic and electronic properties of hexagonal boron nitride. These sp-sp(2) hybrid structures might promise importantly potential applications for developing nanoscale electronic and optoelectronic devices. PMID:26194068

  14. A study on methane coupling to acetylene under the microwave plasma

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    By optimizing the microwave chemistry reactor made of the rectangular waveguide resonator,the methane conversion(the maximum 93.7%),the C2 hydrocarbon yield(the maximum 91.0%) and the acetylene yield(the maximum 88.6%) were all greatly increased under the microwave plasma.Furthermore,for the optimal reactor,the change of the methane conversion and the C2 hydrocarbon yield is little within the range of the pressures in the experiments.The C2 hydrocarbon is mainly made up of acetylene,and the selectivity for acetylene is above 90%.Energy yield and space time yield of acetylene are also high.Optical emission spectroscopy(OES) was adopted for the diagnosis of methane coupling to acetylene under microwave plasma.The excited species(CH,C2,H2,Hα) were detected in the spectra range of 300-750 nm.Based on the products and the excited species,the reaction mechanism of methane coupling under microwave plasma was investigated,using the thermodynamics and kinetics of the chemical reaction.

  15. Modeling, simulation, and optimization of a front-end system for acetylene hydrogenation reactors

    Directory of Open Access Journals (Sweden)

    Gobbo R.

    2004-01-01

    Full Text Available The modeling, simulation, and dynamic optimization of an industrial reaction system for acetylene hydrogenation are discussed in the present work. The process consists of three adiabatic fixed-bed reactors, in series, with interstage cooling. These reactors are located after the compression and the caustic scrubbing sections of an ethylene plant, characterizing a front-end system; in contrast to the tail-end system where the reactors are placed after the de-ethanizer unit. The acetylene conversion and selectivity profiles for the reactors are optimized, taking into account catalyst deactivation and process constraints. A dynamic optimal temperature profile that maximizes ethylene production and meets product specifications is obtained by controlling the feed and intercoolers temperatures. An industrial acetylene hydrogenation system is used to provide the necessary data to adjust kinetics and transport parameters and to validate the approach.

  16. Electronic properties and strain sensitivity of CVD-grown graphene with acetylene

    Science.gov (United States)

    Yang, Meng; Sasaki, Shinichirou; Ohnishi, Masato; Suzuki, Ken; Miura, Hideo

    2016-04-01

    Although many studies have shown that large-area monolayer graphene can be formed by chemical vapor deposition (CVD) using methane gas, the growth of monolayer graphene using highly reactive acetylene gas remains a big challenge. In this study, we synthesized a uniform monolayer graphene film by low-pressure CVD (LPCVD) with acetylene gas. On the base of Raman spectroscopy measurements, it was found that up to 95% of the as-grown graphene is monolayer. The electronic properties and strain sensitivity of the LPCVD-grown graphene with acetylene were also evaluated by testing the fabricated field-effect transistors (FETs) and strain sensors. The derived carrier mobility and gauge factor are 862-1150 cm2/(V·s) and 3.4, respectively, revealing the potential for high-speed FETs and strain sensor applications. We also investigated the relationship between the electronic properties and the graphene domain size.

  17. Examining the impact of acetylene on N-fixation and the active sediment microbial community

    Directory of Open Access Journals (Sweden)

    Robinson W (Wally Fulweiler

    2015-05-01

    Full Text Available Here we examined the impact of a commonly employed method used to measure nitrogen fixation, the acetylene reduction assay (ARA, on a marine sediment community. Historically, the ARA technique has been broadly employed for its ease of use, in spite of numerous known artifacts. To gauge the severity of these effects in a natural environment, we employed high-throughput sequencing to detect differences in acetylene-treated sediments versus non-treated control sediments after a seven hour incubation. Within this short time period, significant differences were seen broadly across all types of microbes identified in the sediment, implying that the changes induced by acetylene occur quickly. The results have important implications for our understanding of marine nitrogen budgets. Moreover, because the ARA technique has been widely used in terrestrial and freshwater habitats, these results may be applicable to other ecosystems.

  18. Heats of Formation of Triplet Ethylene, Ethylidene, and Acetylene

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, M.T.; Matus, M.H.; Lester Jr, W.A.; Dixon, David A.

    2007-06-28

    Heats of formation of the lowest triplet state of ethylene and the ground triplet state of ethylidene have been predicted by high level electronic structure calculations. Total atomization energies obtained from coupled-cluster CCSD(T) energies extrapolated to the complete basis set limit using correlation consistent basis sets (CBS), plus additional corrections predict the following heats of formation in kcal/mol: Delta H0f(C2H4,3A1) = 80.1 at 0 K and 78.5 at 298 K, and Delta H0f(CH3CH,3A") = 86.8 at 0 K and 85.1 at 298 K, with an error of less than +-1.0 kcal/mol. The vertical and adiabatic singlet-triplet separation energies of ethylene were calculated as Delta ES-T,vert = 104.1 and Delta ES-T,adia = 65.8 kcal/mol. These results are in excellent agreement with recent quantum Monte Carlo (DMC) values of 103.5 +- 0.3 and 66.4 +- 0.3 kcal/mol. Both sets of computational values differ from the experimental estimate of 58 +- 3 kcal/mol for the adiabatic splitting. The computed singlet-triplet gap at 0 K for acetylene is Delta ES-T,adia(C2H2) = 90.5 kcal/mol, which is in notable disagreement with the experimental value of 82.6 kcal/mol. The heat of formation of the triplet is Delta H0f(C2H2,3B2) = 145.3 kcal/mol. There is a systematic underestimation of the singlet-triplet gaps in recent photodecomposition experiments by ~;;7 to 8 kcal/mol. For vinylidene, we predict Delta H0f(H2CC,1A1) = 98.8 kcal/mol at 298 K (exptl. 100.3 +- 4.0), Delta H0f(H2CC,3B2) = 146.2 at 298 K, and an energy gap Delta ES-T-adia(H2CC) = 47.7 kcal/mol.

  19. Synthesis of Fullerene by Pyrolysis of Acetylene in Thermal HF-Plasma

    Institute of Scientific and Technical Information of China (English)

    ZHU Yanjuan; ZHANG Guofu; ZHANG Wei; LIN Tianjin; XIE Hongbo; LIU Qiuxiang; ZHANG Haiyan

    2007-01-01

    Carbon soot containing fullerene was continuously produced in volume by pyrolyzing acetylene in thermal HF-Plasma. The characteristics of the carbon soot and C60 were analyzed by thtransmission electron microscopy, UV/visible, IR and Raman spectroscopy. The results show that the main ingredients of the carbon soot with size of about 25 nm are amorphous carbon, graphite and fullerene. The fullerene yield in carbon soot is about 2.5 g·h-1. Compared with the graphite arc discharge method, the acetylene thermal plasma method is a preferential one for synthesis of fullerene.

  20. Acetylene- and Phenylacetylene-Terminated Poly(Arylene Ether Benzimidazole)s (PAEBI's)

    Science.gov (United States)

    Connell, John W.; Hergenrother, Paul M.; Smith, Joseph G., Jr.

    1994-01-01

    Polymers prepared by first synthesizing polymers terminated with hydroxy groups, then reacting them with either 4-ethynylbenzoyl chloride or 4-fluoro-4'-phenylethynylbenzophenone. Endcapped polymers thermally cured to yield materials with attractive combination of properties. Cured acetylene-and phenylacetylene-terminated PAEBI's exhibit higher glass-transition temperatures and better retention of mechanical properties at high temperatures. Cured acetylene- and phenylacetylene-terminated polymers exhibit excellent adhesion to copper foil and polyimide film. Potentially useful as adhesives, coatings, composite matrices, fibers, films, membranes, and moldings.

  1. A joint theoretical and experimental study of phenylene-acetylene molecular wires

    CERN Document Server

    Magyar, R J; Gao, Y; Wang, H L; Shreve, A P

    2004-01-01

    The excited state electronic structure of $\\pi$ conjugated phenylene-acetylene oligomers is calculated using time-dependent density functional theory (TD-DFT) approaches. The theoretical fluorescence spectra are analyzed in terms of Frank-Condon active nuclear normal modes and shown to compare well with experiment. Theoretical and experimental results for the optical absorption and emission spectra of these molecules indicate that the conjugation length can be significantly reduced by conformational rotations about the triple-bonded carbon links. This has serious implications on the electronic functionalities of polyphenylene-acetylene based molecular wires and their possible use as charge/energy conduits in nano-assemblies.

  2. Successful Commercial Testing of Novel Dry Calcium Carbide Process for Manufacture of Acetylene at Xindou Kaixing Technology Company

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    @@ The package 36 m3/h commercial test unit for manufacture of acetylene via dry CaC2 process independently developed by the Xindou Kaixing Technology Company in Chendu has been successfully demonstrated. This achievement has ap-plied for a Chinese invention patent and a patent on practi-cal new equipment. Currently the Kaixing Technology Com-pany is planning to construct a 360 m3/h dry acetylene pro-duction line at the customer site. The results of multiple feeding tests had revealed that the utilization of reaction water and gasification water was close to 100%, and the acetylene purity exceeded 98.5% with acetylene yield reach-ing over 98%. The byproduct was the powdered calcium car-bide residue with its water content lower than 8%, and its grain size less than 0.6 mm containing less than 0.04% of acetylene.

  3. Near-infrared spectra of liquid/solid acetylene under Titan relevant conditions and implications for Cassini/VIMS detections

    Science.gov (United States)

    Singh, S.; Cornet, T.; Chevrier, V. F.; Combe, J.-Ph.; McCord, T. B.; Roe, L. A.; Le Mouélic, S.; Le Menn, E.; Wasiak, F. C.

    2016-05-01

    Acetylene is thought to be abundant on Titan according to most photochemical models. While detected in the atmosphere, its likely presence at the surface still lacks physical evidence. It is thought that solid acetylene could be a major component of Titan's lakes shorelines and dry lakebed, detected as the 5 μm-bright deposits with the Cassini/VIMS instrument. Acetylene could also be present under its liquid form as dissolved solids in Titan's methane-ethane lakes, as emphasized by thermodynamics studies. This paper is devoted to the near-infrared spectroscopy study of acetylene under solid and liquid phases between 1 and 2.2 μm, synthesized in a Titan simulation chamber that is able to reproduce extreme temperature conditions. From experiments, we observed a ∼10% albedo increase between liquid acetylene at 193-188 K and solid acetylene at 93 K. Using the NIR spectroscopy technique we successfully calculated the reflectivity ratio of solid/liquid acetylene as 1.13. The second difference we observed between liquid and solid acetylene is a shift in the major absorption band detected at 1.54 μm, the shift of ∼0.01 μm occurring toward higher wavelength. In order to assess the detectability of acetylene on Titan using the Cassini/VIMS instrument, we adapted our spectra to the VIMS spectral resolution. The spectral band at 1.55 μm and a negative slope at 2.0 μm falls in the Cassini/VIMS atmospheric windows over several VIMS infrared spectels, thus Cassini/VIMS should be able to detect acetylene.

  4. Interference in acetylene intersystem crossing acts as the molecular analog of Young's double-slit experiment

    NARCIS (Netherlands)

    M. de Groot; R.W. Field; W.J. Buma

    2009-01-01

    We report on an experimental approach that reveals crucial details of the composition of singlet-triplet mixed eigenstates in acetylene. Intersystem crossing in this prototypical polyatomic molecule embodies the mixing of the lowest excited singlet state (S1) with 3 triplet states (T1, T2, and T3).

  5. 49 CFR 178.59 - Specification 8 steel cylinders with porous fillings for acetylene.

    Science.gov (United States)

    2010-10-01

    ... cylinders with porous fillings for acetylene. (a) Type and service pressure. A DOT 8 cylinder is a seamless... the cylinders must comply with the following: (1) Standard taper pipe threads are required; (2) Length may not be less than as specified for American Standard pipe threads; tapped to gauge; clean cut,...

  6. Identification of non-precious metal alloy catalysts for selective hydrogenation of acetylene

    DEFF Research Database (Denmark)

    Studt, Felix; Abild-Pedersen, Frank; Bligaard, Thomas;

    2008-01-01

    calculations were performed that identified relations in heats of adsorption of hydrocarbon molecules and fragments on metal surfaces. This analysis not only verified the facility of known catalysts but identified nickel- zinc alloys as alternatives. Experimental studies demonstrated that these alloys...... dispersed on an oxide support were selective for acetylene hydrogenation at low pressures....

  7. Acetylenic dithiafulvene derived donor-pi-acceptor dyads: synthesis, electrochemistry and non-linear optical properties

    DEFF Research Database (Denmark)

    Nielsen, Mogens Brønsted; Petersen, Jan Conrad; Thorup, Niels;

    2005-01-01

    A selection of donor-acceptor chromophores containing the redox-active dithiafulvene unit about acetylenic and aryl scaffolds has been synthesized. The molecules were studied for their optical, redox and structural properties. Moreover, third-order non-linear optical properties were investigated ...

  8. Nine acetylenic alcohols isolated from the Okinawan marine sponge of the genus Petrosia (Strongylophora).

    NARCIS (Netherlands)

    K. Watanabe; G. Mori; K. Iguchi; M. Suzuki; R.W.M. van Soest

    2007-01-01

    Nine new acetylenic alcohols 1-9 were isolated from a marine sponge belonging to the genus Petrosia (Strongylophora). The structures were elucidated mainly based on the analysis of one-and two-dimensional NMR spectral data. To determine the position of the central double bonds in 1-8, each compound

  9. Synthesis of trifluoromethylated acetylenes via copper-catalyzed trifluoromethylation of alkynyltrifluoroborates

    KAUST Repository

    Zheng, Huidong

    2012-12-01

    A new method for the synthesis of trifluoromethylated acetylenes is developed which involves the copper-catalyzed trifluoromethylation of alkynyltrifluoroborates with an electrophilic trifluoromethylating reagent. This method offers significant advantages such as efficiency and mild and base-free reaction conditions. A plausible mechanism is proposed. © 2012 Elsevier Ltd. All rights reserved.

  10. The Electrooxidation of Tetracycline at Acetylene Black Electrode in the Presence of Sodium Dodecyl Sulfate

    Institute of Scientific and Technical Information of China (English)

    Xue Ping DANG; Cheng Guo HU; Ying Liang WEI; Sheng Shui HU

    2004-01-01

    The electrooxidation of tetracycline (TC) at acetylene black electrode has been studied in the presence of sodium dodecyl sulfate (SDS). Tetracycline (TC) exhibited very sensitive oxidation peak in this system. The peak current was proportional to TC concentration, and the detection limit was 1.2 × 10-8 mol/L. The system was used to the determination of TC in pharmaceuticals.

  11. A Safe and Easy Classroom Demonstration of the Generation of Acetylene Gas.

    Science.gov (United States)

    Cox, Marilyn Blagg; Krause, Paul

    1994-01-01

    In this demonstration of the generation and combustion of acetylene, calcium carbide and water are allowed to react in a latex examination glove. Two student volunteers perform the demonstration with instructor guidance. This safe, popular demonstration, originally intended to illustrate the alkyne family of compounds, can be used with a variety…

  12. A Convenient Synthesis of Conjugated Acetylenic Ketones by Copper(l)-Catalyzed under Microwave Irradiation

    Institute of Scientific and Technical Information of China (English)

    WANG; JinXian

    2001-01-01

    Alkynyl ketones are useful precursors and intermediates in synthetic organic chemistry1 and has evoked considerable interest. A number of methods for the synthesis of conjugated acetylenic ketones involve the reaction a metal acetylide with an acyl chlorides or another carboxylic acid derivative have been developed 2. Recently, the synthesis of α, β-conjugated acetylenic ketones catalyzed by Pd(Ⅱ) or by copper(Ⅰ)pd(Ⅱ) reaction of 1-alkynes and acyl chlorides have been described. The acylation of terminal alkynes by acyl chlorides in the presence of catalytic amounts copper(Ⅰ) salts leading to α, β-conjugated acetylenic ketones has also been reported. However, many of these reactions suffer from lack of high pressure (17 atm), long reaction time (30 h)and require low temperatures (-78℃). Our work involves the synthesis of conjugated acetylenic ketones via the reaction of terminal alkynes with aroyl chlorides in the presence of cuprous iodide under microwave irradiation conditions.……

  13. Facile synthesis and electrochemical performances of binder-free flexible graphene/acetylene black sandwich film

    International Nuclear Information System (INIS)

    Graphene/acetylene black sandwich film was fabricated by a simple vacuum filtration procedure using a stable complex suspension of graphene oxide (GO) and acetylene black followed by a hydroiodic acid (HI) immersion process to fully reduce the GO to graphene sheets. The self-restacking of individual graphene sheets were greatly alleviated and electric conductivity was obviously improved using the acetylene black nanoparticles as both effective spacers to expand the inter-layer interval of the individual graphene sheets during the film assembly course and highly conducting bridges to facilitate the electron/ion transfer between the upper and lower graphene sheets. The flexible graphene/acetylene black film was utilized as supercapacitor electrode without additional conductive additives, binders and current collectors, which achieved an obviously higher specific capacitance (ca. 136.6 F g−1 at 0.5 A g−1) and much better specific capacitance retention at high current densities than that of the pure graphene film electrode, indicating that such a novel sandwich film structure allows for a higher charge storage capability. More importantly, the assembled symmetric supercapacitor device displayed a satisfactory specific capacitance of 59.2 F g−1 at 0.1 A g−1, 47.6 F g−1 at 0.5 A g−1 and 42.8 F g−1 at 1 A g−1, and only negligible 4.05% capacitance degradation have been found after 1000 continuous charge-discharge cycles at 0.5 A g−1, revealing outstanding rate capability, excellent electrochemical reversibility and long-term cyclability. These results proved that such a flexible and highly conductive graphene/acetylene black film can be promising electroactive materials in the development of advanced electrochemical energy storage devices

  14. Influence of soil composition in the determination of chromium by atomic absorption spectrometry with flame air / acetylene

    International Nuclear Information System (INIS)

    The Air-acetylene Flame Atomic Absorption determination of chromium is a complex task, being strongly influenced by sample composition and instrumental conditions. The objective of this work was to study the influence of Al, Ca, Fe, K, Mg, and Na on the absorption of chromium in the air-acetylene flame, both separately and combined in solution, when acetylene flow and burner height vary. Dissolutions of the mixtures simulated the composition of four soils from the Quibu River Basin in Havana, Cuba. Chromium absorption first increased and then decreased with increment of acetylene flow for shorter burner heights (∼ 2-4 mm); while a continuous increase was observed for larger heights (> 4 mm). This behavior was the same in the presence and absence of interfering chemical element, mentioned above. On the other hand, the dependence of the magnitude of the interference with acetylene flow and burner height was complex and dependent on the interfering element, particularly at larger heights where the behavior of Al was remarkably different. The interference of the four mixtures of Al, Ca, K, Fe, Mg and Na decreased in comparison to individual interfering effects and was less dependent on acetylene flow and burner height. Finally, a significant reduction of interference on chromium determination in soil samples was achieved by an adequate selection of acetylene flow and burner height

  15. Acetylene hydratase of Pelobacter acetylenicus. Molecular and spectroscopic properties of the tungsten iron-sulfur enzyme.

    Science.gov (United States)

    Meckenstock, R U; Krieger, R; Ensign, S; Kroneck, P M; Schink, B

    1999-08-01

    Acetylene hydratase of Pelobacter acetylenicus is a tungsten iron-sulfur protein involved in the fermentation of acetylene to ethanol and acetate. Expression of the enzyme was increased 10-fold by feeding a 50-L batch culture continuously with 104 Pa acetylene at pH 6.8-7.0. Acetylene hydratase was purified to homogeneity by a three-step procedure in either the absence or presence of dioxygen. The enzyme was a monomer with a molecular mass of 73 kDa (SDS/PAGE) or 83 kDa (matrix-assisted laser-desorption ionization MS) and contained 0.5 +/- 0.1 W (inductively coupled plasma/MS) and 1.3 +/- 0.1 molybdopterin-guanine dinucleotide per mol. Selenium was absent. EPR spectra (enzyme as isolated, under air) showed a signal typical of a [3Fe-4S] cluster with gav = 2.01, at 10 K. In enzyme prepared under N2/H2, this signal was absent and reaction with dithionite led to a rhombic signal with gz = 2.048, gy = 1.939 and gx = 1.920 indicative of a low-potential ferredoxin-type [4Fe-4S] cluster. Upon oxidation with hexacyanoferrate(III), a new signal appeared with gx = 2.007, gy = 2.019 and gz = 2.048 (gav = 2.022), which disappeared after further oxidation. The signal was still visible at 150 K and was tentatively assigned to a W(V) center. The iron-sulfur center of acetylene hydratase (prepared under N2/H2) gave a midpoint redox potential of -410 +/- 20 mV in a spectrophotometric titration with dithionite. Enzyme activity depended on the redox potential of the solution, with 50% of maximum activity at -340 +/- 20 mV. The presence of a pterin-guanine dinucleotide cofactor differentiates acetylene hydratase from the aldehyde ferredoxin oxidoreductase-type enzymes which have a pterin mononucleotide cofactor. PMID:10447686

  16. Numerical Study on the Acetylene Concentration in the Hydrogen-Carbon System in a Hydrogen Plasma Torch

    Institute of Scientific and Technical Information of China (English)

    CHEN Longwei; SHEN Jie; SHU Xingsheng; FANG Shidong; ZHANG Lipeng; MENG Yuedong

    2009-01-01

    Effects of the hydrogen/carbon mole ratio and pyrolysis gas pressure on the acetylene concentration in the hydrogen-carbon system in a plasma torch were numerically calculated by using the chemical thermodynamic equilibrium method of Gibbs free energy. The calculated results indicate that the hydrogen concentration and the pyrolysis gas pressure play crucial roles in acetylene formation. Appropriately abundant hydrogen, with a mole ratio of hydrogen to carbon about 1 or 2, and a relatively high pyrolysis gas pressure can enhance the acetylene concentration. In the experiment, a compromised project consisting of an appropriate hydrogen flow rate and a feasible high pyrolysis gas pressure needs to be carried out to increase the acetylene concentration from coal pyrolysis in the hydrogen plasma torch.

  17. Absolute cross sections for dissociative electron attachment to acetylene and diacetylene

    OpenAIRE

    May, Olivier; Fedor, Juraj; Ibănescu, Bogdan C.; Allan, Michael

    2008-01-01

    Absolute cross sections for the production of the two astronomy-relevant negative ions H−C≡C⁻ and H−C≡C−C≡C⁻ by dissociative electron attachment to acetylene C₂H₂ and diacetylene C₄H₂ were measured (with a ±25% error bar). Acetylene yielded the C₂H⁻ ion at an electron energy of 2.95  eV with a cross section of 3.6±0.9  pm² and also the C₂⁻ ion at 8.1  eV with a cross section of 4.1±1  pm². Diacetylene yielded the C₄H⁻ ion at 2.5  eV with a cross section of 3.0±0.8  pm² and at 5.25  eVwith a c...

  18. Isotope effect in normal-to-local transition of acetylene bending modes

    International Nuclear Information System (INIS)

    The normal-to-local transition for the bending modes of acetylene is considered a prelude to its isomerization to vinylidene. Here, such a transition in fully deuterated acetylene is investigated using a full-dimensional quantum model. It is found that the local benders emerge at much lower energies and bending quantum numbers than in the hydrogen isotopomer HCCH. This is accompanied by a transition to a second kind of bending mode called counter-rotator, again at lower energies and quantum numbers than in HCCH. These transitions are also investigated using bifurcation analysis of two empirical spectroscopic fitting Hamiltonians for pure bending modes, which helps to understand the origin of the transitions semiclassically as branchings or bifurcations out of the trans and normal bend modes when the latter become dynamically unstable. The results of the quantum model and the empirical bifurcation analysis are in very good agreement

  19. Theoretical and Experimental Evidence of Hydrogen Migration rather than Isomerization in the Acetylene Dication

    Science.gov (United States)

    Liekhus-Schmaltz, Chelsea; Li, Zheng; Petrovic, Vladimir; Martinez, Todd; Bucksbaum, Phil; AMO75113 Collaboration

    2016-05-01

    Theoretical calculations and experimental results in the acetylene dication have long agreed that isomerization after x-ray excitation occurs in the first singlet state, where the carbon-carbon bond lives long enough for isomerization to complete. These same calculations predict that a large barrier to isomerization exists that would cause isomerization to occur in about a picosecond, while there is some evidence for ultrafast isomerization in under 100 fs. However, new ab initio calculations of the acetylene dication reveal that ultrafast isomerization after x-ray excitation is unlikely. In this talk, we present evidence that signatures of hydrogen migration observed in recent time resolved LCLS data are mostly due to hydrogen migration in an excited state which dissociates too quickly for isomerization to complete. This material is based upon work supported by the National Science Foundation under Grant No. PHY-0649578.

  20. Groundwater remediation engineering--Study on the flow distribution of air sparging using acetylene

    Institute of Scientific and Technical Information of China (English)

    ZHENG Yan-mei; ZHANG Ying; HUANG Guo-qiang; JIANG Bin; LI Xin-gang

    2005-01-01

    Air sparging(AS) is an emerging method to remove VOCs from saturated soils and groundwater. Air sparging performance highly depends on the air distribution resulting in the aquifer. In order to study gas flow characterization, a two-dimensional experimental chamber was designed and installed. In addition, the method by using acetylene as the tracer to directly image the gas distribution results of AS process has been put forward. Experiments were performed with different injected gas flow rates. The gas flow patterns were found to depend significantly on the injected gas flow rate, and the characterization of gas flow distributions in porous media was very different from the acetylene tracing study. Lower and higher gas flow rates generally yield more irregular in shape and less effective gas distributions.

  1. Carbide sludge management in acetylene producing plants by using vacuum filtration.

    Science.gov (United States)

    Ramasamy, Palanisamy; Periathamby, Agamuthu; Ibrahim, Shaliza

    2002-12-01

    Carbide sludge (10.4-11.5 tonnes day(-1)) is generated from the reaction of calcium carbide (900 kg) and water (6,000 L) in the production of acetylene (2,400 m3), in three selected acetylene manufacturing plants. The sludge (of pH 12.2 and containing Cu, Pb, Fe, Mn, Ni and Zn ions whose concentrations exceed the Department of Environment limits for industrial wastewater) was treated by vacuum filtration as a substitute for the ponding system, which is environmentally less acceptable. A similar system by flocculation was also developed. The filtration system represents an improvement over the ponding method, as shown by a pH of 7 for the clear filtrate; the solid cake, which contains 98% of the metals, can be conveniently disposed at an integrated scheduled waste treatment centre.

  2. Epigenetic modifier-induced biosynthesis of novel acetylenic sterols from Cladosporium colocasiae.

    Science.gov (United States)

    Liu, Dong-Ze; Liang, Bo-Wen; Li, Xiao-Fei; Yu, Zhi-Yuan

    2014-09-01

    The addition of an HDAC inhibitor, suberoylanilide hydroxamic acid (SBHA), to the culture medium of Cladosporium colocasiae, dramatically altered its metabolic profiles. Analysis of the culture broth extract led to the isolation of two new acetylenic sterols (1-2). The isolated compounds were further evaluated for their cytotoxic and antibacterial activities. Compound 1 showed activity against Bacillus subtilis, affording a zone of inhibition of 12mm at 100μg/disk. However, none of them showed noticeable growth inhibitory effects.

  3. Rotation of a single acetylene molecule on Cu(001) by tunneling electrons in STM

    OpenAIRE

    Shchadilova, Yulia E.; Tikhodeev, Sergei G.; Paulsson, Magnus; Ueba, Hiromu

    2013-01-01

    We study the elementary processes behind one of the pioneering works on STM controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation rate in combination with DFT calculations to obtain realistic parameters we reproduce the experimental rotation rate of an acetylene molecule on a Cu(100) surface as a function of bias voltage and tunneling current. This combined approach allows us to ident...

  4. Dual fuel operation of used transformer oil with acetylene in a DI diesel engine

    International Nuclear Information System (INIS)

    Highlights: • Utilisation of Used transformer oil (UTO) as a fuel in a diesel engine. • UTO with acetylene in a diesel engine, on a dual fuel mode technique. • Analysis of combustion characteristics of the diesel engine. • Analysis of performance and emission characteristics of the diesel engine. - Abstract: Used transformer oil (UTO) is a waste oil obtained from power transformers and welding transformers. It possesses considerable heating value and properties similar to diesel fuel. A preliminary investigation on the utilization of the UTO in a single cylinder, four stroke small powered direct injection (DI) diesel engine revealed that at an optimum injection timing of 20°CA the engine exhibited lower nitric oxide (NO) and higher smoke emissions, compared to that of diesel operation. In order to improve the performance and reduce the smoke emission, a dual fuel operation was attempted in the present investigation. Acetylene was inducted as a primary fuel at four different flow rates viz 132 g/h, 198 g/h, 264 g/h and 330 g/h along with the air, to study the combustion, performance and emission behavior of a four-stroke, 4.4 kW diesel engine, while the UTO was injected as pilot fuel with the optimized injection timing. The experimental results were compared with diesel-acetylene dual fuel operation in the same engine. Acetylene aspiration reduced the ignition delay and maximum cylinder pressure by about 3°CA, and 25% respectively at full load in comparison with the sole UTO operation. Higher thermal efficiency and lower exhaust gas were also observed at full load. Smoke was reduced by about 13.7%, in comparison with the UTO operation at full load

  5. Phase-vanishing method with acetylene evolution and its utilization in several organic syntheses.

    Science.gov (United States)

    Matake, Ryosuke; Niwa, Yuki; Matsubara, Hiroshi

    2015-05-15

    A novel quadraphasic phase-vanishing system in which acetylene is evolved from calcium carbide and directly applied in situ to the Sonogashira coupling reaction was developed. This method, which provides a safe, convenient, and one-pot means to utilize gaseous reagents without special equipment, was also applied to a Cu-catalyzed azide-alkyne cycloaddition (CuAAC) reaction and a three-component aldehyde-alkyne-amine (A(3)) coupling reaction with excellent results.

  6. Melamine Modification of Spherical Activated Carbon and Its Effects on Acetylene Hydrochlorination

    Institute of Scientific and Technical Information of China (English)

    HAN Weijie; WANG Xugen; ZHU Mingyuan; ZHANG Haiyang; CHEN Kun; WANG Qinqin; LI Xiaoyan; DAI Bin

    2014-01-01

    Commercial spherical activated carbon (SAC) was modified by impregnation to enhance the catalytic properties of SAC in acetylene hydrochlorination through melamine modification. Different modification conditions for SAC with nitrogen were compared by changing the SAC-Melamine ratios. The effect of carbonization temperature on the modification was also investigated. Surface chemistry and adsorption properties of the modified and unmodified SACs were studied by scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), elementary analysis, BET, and temperature-programmed desorption (TPD). Moreover, the catalytic properties of SAC in acetylene hydrochlorination under differently modified conditions were also investigated. Elemental analysis showed that the nitrogen content of the modified SAC was greatly improved. XPS revealed that nitrogen mainly exists in Pyrrole nitrogen and Pyridine nitrogen. TPD showed that desorption of C2H2 was changed by modification. The conversion rate of acetylene was up to 70%under the following reaction conditions:temperature, 150℃;C2H2 hourly space velocity (GHSV), 36 h-1;feed volume ratio V (HCl)/V (C2H2) = 1.15. The catalytic properties of SAC were improved significantly via melamine modification.

  7. Molecular movie for the isomerization of acetylene dication made by time resolved Coulomb imaging

    CERN Document Server

    Li, Zheng; Curchod, Basile; Liekhus-Schmaltz, Chelsea; Vendrell, Oriol; Medvedev, Nikita; Pabst, Stefan; Cryan, James; Osipov, Timur; Bucksbaum, Phil; Martinez, Todd

    2016-01-01

    Experimental evidence has pointed toward the existence of ultrafast proton migration and isomerization as a key process for acetylene and its ions, however the actual mechanism for ultrafast isomerization of the acetylene [HCCH]2+ to vinylidene [H2CC]2+ dication remains nebulous. Theoretical studies show a high potential barrier of over 2 eV [J. Chem. Phys. 123, 134320 (2005)] for the isomerization pathways on the low lying dicationic states, the corresponding isomerization should take picoseconds. However a recent experiment with femtosecond X-ray free electron laser (XFEL) [Nature Commun. 6, 8199 (2015)] suggests signature of isomerization proceeding on a sub-100 femtosecond time scale. We present here a complete theoretical study of the dynamics of acetylene dication from Auger decay induced by X-ray photoionizing the carbon K shell. We find a pathway from high lying dissociative dicationic states, which can lead to the sub-100fs isomerization with assistance of the non-Born-Oppenheimer effect. Moreover, o...

  8. High-resolution Absorption Spectra of Acetylene in 142.8-152.3 nm

    Institute of Scientific and Technical Information of China (English)

    Ya-hua Hu; Chen Zhen; Jing-hua Dai; Xiao-guo Zhou; Shi-lin Liu

    2008-01-01

    The absorption spectra of acetylene molecules was measured under jet-cooled conditions in the wavelength range of 142.8-152.3 nm, with a tunable and highly resolved vacuum ultraviolet (VUV) laser generated by two-photon resonant four wave difference frequency mixing processes. Due to the sufficient vibrational and rotational cooling effect of the molecular beam and the higher resolution VUV laser, the observed absorption spectra exhibit more distinct spectral features than the previous works measured at room temperature. The major three vibrational bands are assigned as a C-C symmetry stretching vibrational progress (v2=0-2) of the C~Ⅱu state of acetylene. The observed shoulder peak at 148.2 nm is assigned to the first overtone band of the trans-bending mode v4 of the C~Ⅱu state of acetylene. Additionally, the two components, 42 (μ1 Ⅱu) and 42(K1Ⅱu), are suggested to exhibit in the present absorption spectra, due to their Penner-Teller effect and transition selection rule. All band origins and bandwidths are obtained subsequently, and it is found that bandwidths are broadened and lifetimes decrease gradually with the excitation of vibration.

  9. Dehalogenative Homocoupling of Terminal Alkynyl Bromides on Au(111): Incorporation of Acetylenic Scaffolding into Surface Nanostructures.

    Science.gov (United States)

    Sun, Qiang; Cai, Liangliang; Ma, Honghong; Yuan, Chunxue; Xu, Wei

    2016-07-26

    On-surface C-C coupling reactions of molecular precursors with alkynyl functional groups demonstrate great potential for the controllable fabrication of low-dimensional carbon nanostructures/nanomaterials, such as carbyne, graphyne, and graphdiyne, which demand the incorporation of highly active sp-hybridized carbons. Recently, through a dehydrogenative homocoupling reaction of alkynes, the possibility was presented to fabricate surface nanostructures involving acetylenic linkages, while problems lie in the fact that different byproducts are inevitably formed when triggering the reactions at elevated temperatures. In this work, by delicately designing the molecular precursors with terminal alkynyl bromide, we introduce the dehalogenative homocoupling reactions on the surface. As a result, we successfully achieve the formation of dimer structures, one-dimensional molecular wires and two-dimensional molecular networks with acetylenic scaffoldings on an inert Au(111) surface, where the unexpected C-Au-C organometallic intermediates are also observed. This study further supplements the database of on-surface dehalogenative C-C coupling reactions, and more importantly, it provides us an alternative efficient way for incorporating the acetylenic scaffolding into low-dimensional surface nanostructures. PMID:27326451

  10. Acetylene from the co-pyrolysis of biomass and waste tires or coal in the H{sub 2}/Ar plasma

    Energy Technology Data Exchange (ETDEWEB)

    Bao, W.; Cao, Q.; Lv, Y.; Chang, L. [Taiyuan University of Technology, Taiyuan (China)

    2008-07-01

    Acetylene from carbon-containing materials via plasma pyrolysis is not only simple but also environmentally friendly. In this article, the acetylene produced from co-pyrolyzing biomass with waste tire or coal under the conditions of H{sub 2}/Ar DC arc plasma jet was investigated. The experimental results showed that the co-pyrolysis of mixture with biomass and waste tire or coal can improve largely the acetylene relative volume fraction (RVF) in gaseous products and the corresponding yield of acetylene. The change trends for the acetylene yield of plasma pyrolysis from mixture with raw sample properties were the same as relevant RVF. But the yield change trend with feeding rate is different from its RVF. The effects of the feeding rate of raw materials and the electric current of plasmatron on acetylene formation are also discussed.

  11. Evidence for alkali metal induced intermolecular acetylenic hydrogen atom transfer between hydrogen-bonded alkyne complexes in solid argon

    International Nuclear Information System (INIS)

    Condensation of acetylene, propyne, and 2-butyne/acetylene mixtures with heavy alkali metal atoms (Na, K, Cs) in an argon matrix at 15 K has led to the appearance of infrared absorptions due to ethylene, propylene, and trans-2-butene, respectively. These results stand in sharp contrast with the products obtained with lithium. Isotopic studies have shown that ethylene formation involved three different acetylene molecules and evidenced a difference in the product yield with hydrogen vs. deuterium as well as a preference for trans- vs. cis-C2H2D2 formation, which is discussed and rationalized by differences in the zero point energies for the different mixed deuterium isotopes of the intermediate vinyl radical. This trend is amplified by methyl substitution. Spectroscopic evidence was found in these experiments for cesium acetylide (Cs+C2H-) and a cesium-acetylene π complex, which are involved in the intermolecular acetylenic hydrogen atom transfer process. 26 references, 3 figures, 2 tables

  12. The 2Πg shape resonance of acetylene anion: an investigation with the RAC method

    Science.gov (United States)

    Čurík, Roman; Paidarová, Ivana; Horáček, Jiří

    2016-07-01

    Recently developed method of regularized analytic continuation (RAC) is applied to determination of the 2Πg resonance of acetylene anion. The method is based on continuation of the electron affinities calculated for the anion in presence of an external perturbation field. Its independence on the correlation treatment of the many-electron system allows application of accurate coupled-clusters methods for electronic structure calculations utilized in determination of the resonance position and width. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

  13. Photodissociation of acetylene: Determination of D sup 0 sub 0 (HCC--H) by photofragment imaging

    Energy Technology Data Exchange (ETDEWEB)

    Baldwin, D.P.; Buntine, M.A.; Chandler, D.W. (Combustion Research Facility, Sandia National Laboratories, Livermore, California 94551 (USA))

    1990-11-01

    Acetylene cooled in a He supersonic expansion is photodissociated by excitation in the 201--216 nm region of the {ital {tilde A}} {sup 1}{ital A}{sub {ital u}} {minus}{ital {tilde X}} {sup 1}{Sigma}{sup +}{sub {ital g}} transition. Subsequent ionization of the H-atom fragments by 2+1 (243 nm) REMPI, and mass-selected ion imaging allows analysis of the velocity distribution of H-atoms from the HCCH {sup {ital h}{nu}}{sub {r arrow}} C{sub 2}H+{ital H} process. Measurement of the maximum velocity for H atoms from this channel produced by photodissociation of acetylene through the {ital {tilde A}} {sup 1}{ital A}{sub {ital u}} {minus}{ital {tilde X}} {sup 1}{Sigma}{sup +}{sub {ital g}} {ital V}{sup 7}{sub 0}{ital K}{sup 1}{sub 0}, 1{sup 1}{sub 0}{ital V}{sup 4}{sub 0}{ital K}{sup 1}{sub 0}, 2{sup 1}{sub 0}{ital V}{sup 5}{sub 0}{ital K}{sup 1}{sub 0} and {ital V}{sup 5}{sub 0}{ital K}{sup 1}{sub 0} vibronic transitions gives a value for {ital D}{sup 0}{sub 0} (HCC--H) of 131{plus minus}1 kcal/mol. Other channels producing hydrogen atoms (including HC{sub 2} {sup {ital h}{nu}}{sub {r arrow}} {ital C}{sub 2}+{ital H} and HCCH{sup {ital h}{nu}}{sub {r arrow}} HCCH{sup +} {sup {ital h}{nu}}{sub {r arrow}} C{sub 2}H{sup +}+{ital H}) are detected at all photon fluxes used. These multiphoton channels produce hydrogen atoms with higher translational energy and therefore obscure measurement of the maximum velocity of H atoms produced by single-photon dissociation of acetylene. Reduction of photon flux by more than two orders of magnitude to {similar to}5{times}10{sup 6} J/cm{sup 2} gives a background, multiphoton, H-atom intensity of {le}7% of the peak primary dissociation intensity. Because this multiphoton background limits the detectability of fast H atoms from single-photon dissociation of acetylene, the dissociation energy reported here is an upper limit.

  14. Mechanisms of π-bond oxidation by cytochrome p-450: acetylenes as probes

    International Nuclear Information System (INIS)

    Phenylacetylene and biphenylacetylene are oxidized by microsomal and purified P-450 to the corresponding arylacetic acids. During this transformation, the acetylenic hydrogen undergoes a 1,2 shift which causes a kinetic isotope effect of 1.8 on the overall enzymatic rate. The same products and kinetic isotope effects are observed when the arylacetylenes are oxidized by m-chloroperbenzoic acid. Suicide inactivation of P-450 by the arylacetylenes, which occurs simultaneously with metabolite formation, is insensitive to isotopic substitution so the partition ratio changes from 26 for phenylacetylene of 14 for [1-2H] phenylacetylene

  15. Effect of Varying Inert Gas and Acetylene Concentration on the Synthesis of Carbon Nanotubes.

    Science.gov (United States)

    Afrin, Rahat; Abbas, Syed Mustansar; Shah, Nazar Abbas; Mustafa, Muhammad Farooq; Ali, Zulfiqar; Ahmad, Nisar

    2016-03-01

    The multiwalled carbon nanotubes (MWCNTs) with small diameter and high purity were achieved by chemical vapor deposition technique using silicon substrate. The introduction of specific concentration of inert gas with hydrocarbon played a key role in controlling morphology and diameter of MWCNTs. Nickel mixed ferrite nanoparticles were used as a catalyst for the growth of MWCNTs. Growth parameters like concentration of hydrocarbon source and inert gas flow, composition of catalyst particles and growth temperature were studied. In this work smaller diameter and twisted MWCNTs were formed by dilution of acetylene with argon gas. Electrical properties suggest a semimetallic behavior of synthesized MWCNTs.

  16. Nitrogen/argon diluted acetylene and ethylene blue flames under infrared CO2 laser irradiation

    OpenAIRE

    Pikhitsa, Peter V.; Daegyu Kim; Mansoo Choi

    2011-01-01

    We investigated changes in emission spectra from nitrogen/argon diluted laminar diffusion acetylene and ethylene blue flames irradiated by a powerful cw infrared CO2 laser. The changes in the radical emission bands can be interpreted as an indication of laser-induced decomposition of ethylene (for laser absorbing C2H4 fuel) and of laser-absorbing intermediates (for non-absorbing C2H2 fuel). The results indicate that released active hydrogen plays an important role in addition/abstraction reac...

  17. Ab-initio simulation of the ionization and fragmentation of acetylene by strong femtosecond laser pulses

    International Nuclear Information System (INIS)

    The electron and nuclear dynamics of acetylene when interacting with strong short laser pulses has been simulated in the framework of real-space Time Dependent Density Functional Theory (TDDFT) and molecular dynamics. The stretching and dissociation of individual bonds are reported, and are shown to depend on the laser field intensity and orientation relative to the laser polarization. The ionization dynamics, including ionization from individual Kohn-Sham orbitals, is also reported. The orbital ionization dynamics are shown to vary with an increase in the intensity of the laser field

  18. Nitrogen/argon diluted acetylene and ethylene blue flames under infrared CO2 laser irradiation

    Directory of Open Access Journals (Sweden)

    Peter V. Pikhitsa

    2011-09-01

    Full Text Available We investigated changes in emission spectra from nitrogen/argon diluted laminar diffusion acetylene and ethylene blue flames irradiated by a powerful cw infrared CO2 laser. The changes in the radical emission bands can be interpreted as an indication of laser-induced decomposition of ethylene (for laser absorbing C2H4 fuel and of laser-absorbing intermediates (for non-absorbing C2H2 fuel. The results indicate that released active hydrogen plays an important role in addition/abstraction reactions without any participation of oxygen.

  19. Synthesis of (iso)quinoline, (iso)coumarin and (iso)chromene derivatives from acetylene compounds

    Science.gov (United States)

    Ryabukhin, D. S.; Vasilyev, A. V.

    2016-06-01

    Published data on the methods of synthesis of quinoline, isoquinoline, coumarin, isocoumarin, chromene and isochromene derivatives from acetylene compounds are summarized. The reactions catalyzed by metal complexes (Pd, Pt, Ru, Rh, Au, Ag, Ni, Cu, etc.) and transformations induced by various electrophilic reagents (Brynsted and Lewis acids) are considered. Moieties of the mentioned heterocyclic systems are present in many biologically active natural products and pharmaceutical agents. Besides, derivatives of these heterocycles are used in the manufacture of catalysts, dyes, perfumery and cosmetic products, corrosion inhibitors and so on. The bibliography includes 211 references.

  20. Frequency stabilization in FBG external cavity semiconductor laser based on acetylene absorption method

    Institute of Scientific and Technical Information of China (English)

    Li Zhi-quan; Su Feng-yan; Kang Li-li

    2008-01-01

    A frequency-stabilized 1.53 μm FBG external-cavity semiconductor laser by using acetylene absorption is presented and its basic principles are introduced. Graded refractive index fiber and pigtailed fiber are used in the absorption air chamber to enhance the coupling stability. The impact of the background power is eliminated by using the third-harmonic modelocking technique. A lock-in amplifier is utilized to ensure that the output laser wavelength is locked at the C2H2 absorption line of 1530.37 nm. The frequency stability reaches 10-8 within 24 h.

  1. Denitrification in Low pH Spodosols and Peats Determined with the Acetylene Inhibition Method

    OpenAIRE

    1980-01-01

    Potential denitrification rates were determined for predominantly acid (pH ≥ 3.6) horizons of forestal, miry, and agricultural soils from 22 locations in southern Finland. The acetylene inhibition method was used with nitrate-amended water-logged soils incubated in an N2 atmosphere containing 2.5 or 5% C2H2. Complete inhibition of the reduction of N2O to N2 was observed in 99.3% of the samples. The denitrification rates varied from 0.12 to 53.8 μg of N·cm-3·day-1. Correlation between denitrif...

  2. Cycloisomerization of acetylenic oximes and hydrazones under gold catalysis: Synthesis and cytotoxic evaluation of isoxazoles and pyrazoles

    Indian Academy of Sciences (India)

    J C Jeyaveeran; Chandrasekar Praveen; Y Arun; A A M Prince; P T Perumal

    2016-01-01

    The synthesis of substituted isoxazoles and pyrazoles through a general cycloisomerization methodology has been reported. The capability of gold(III) chloride to promote cycloisomerization of both , -acetylenic oximes and , -acetylenic hydrazones is the centrepiece of the strategy. A range of acetylenic precursors were investigated to afford 28 examples of the products with good to excellent chemical yields. Selected compounds were screened for their cytotoxic potential towards COLO320 cancer cell lines. The IC50 values of the tested compounds were in the micromolar range, with the best compound, 5-(6-Methoxy-naphthalen-2-yl)-3-phenyl-isoxazole (3h) displaying an IC50 of 38.9 M. For this compound, the crystal structure in complex with Aurora-A kinase was obtained which revealed details of its binding mode within the active site with a free energy of binding -9.54 kcal/mol.

  3. Characterization of magnetically confined low-pressure plasmas produced by an electromagnetic field in argon-acetylene mixtures

    Science.gov (United States)

    Makdessi, G. Al; Margot, J.; Clergereaux, R.

    2016-10-01

    Dust particles formation was investigated in magnetically confined low-pressure plasma produced in argon-acetylene mixtures. The plasma characteristics were measured in order to identify the species involved in the dust particles formation. Their dependence on the operating conditions including magnetic field intensity, acetylene fraction in the gas mixture and operating pressure was examined. In contrast with noble gases, in the presence of acetylene, the electron temperature increases with the magnetic field intensity, indicating additional charged particles losses in the plasma. Indeed, in these conditions, larger hydrocarbon ions are produced leading to the formation of dust particles in the plasma volume. The observed dependence of positive ion mass distribution and density and relative negative ion density on the operating parameters suggests that the dust particles are formed through different pathways, where negative and positive ions are both involved in the nucleation.

  4. 2-methyl-3-butyn-2-ol as an acetylene precursor in the Mannich reaction. A new synthesis of suicide inactivators of monoamine oxidase

    International Nuclear Information System (INIS)

    A two-step reaction process is reported for the synthesis of 11C, 13C, or 14C-labelled propargylamines in moderate yields. The propargylamines were prepared by a modified Mannich scheme without the use of acetylene. The reaction scheme involved the use of 2-methyl-3-butyn-2-ol followed by KOH-catalyzed elimination of acetone from the acetylenic carbinols

  5. A CATALYST, A PROCESS FOR SELECTIVE HYDROGENATION OF ACETYLENE TO ETHYLENE AND A METHOD FOR THE MANUFACTURE OF THE CATALYST

    DEFF Research Database (Denmark)

    2009-01-01

    A catalyst comprising a mixture of metal A selected from the group of Fe, Co and Ni and metal B selected from the group of Zn and Ga, and a support material, wherein the two metals are present in an intermetallic composition; A method for the manufacture of the catalyst; and the use of above...... mentioned catalyst for the selective hydrogenation of acetylene to ethylene in a gas mixture comprising acetylenic impurities and hydrogen and one or more of, ethylene and carbon monoxide. The catalyst has a high selectivity and is based on easily available metal compounds....

  6. Selective Hydrogenation of Acetylene over Pd, Au, and PdAu Supported Nanoparticles

    Science.gov (United States)

    Walker, Michael P.

    The removal of trace amounts of acetylene in ethylene streams is a high-volume industrial process that must possess high selectivity of alkyne hydrogenation over hydrogenation of alkenes. Current technology uses metallic nanoparticles, typically palladium or platinum, for acetylene removal. However, problems arise due to the deactivation of the catalysts at high temperatures as well as low selectivities at high conversions. Pore expanded MCM-41 is synthesized via a two-step strategy in which MCM-41 was prepared via cetyltrimethylammonium bromide (CTMABr) followed by the hydrothermal treatment with N,N-dimethyldecylamine (DMDA). This material was washed with ethanol to remove DMDA, or calcined to remove both surfactants. PE-MCM-41 based materials were impregnated with palladium, gold, and palladium-gold nanoparticles. The removal of DMDA had an effect on both the conversion and selectivity, in which they were found to drop significantly. However, by using the bimetallic PdAu catalysts, higher selectivity could be achieved due to increased electron density.

  7. Experimental and theoretical studies of the reaction between cationic vanadium oxide clusters and acetylene

    Institute of Scientific and Technical Information of China (English)

    YIN Shi; MA YanPing; DU Lin; HE ShengGui; GE MaoFa

    2008-01-01

    The time of flight mass spectrometer coupled with a laser ablation/supersonic expansion cluster source and a fast flow reactor was adopted to study the reactivity of cationic vanadium oxide clusters (VmO+n) toward acetylene (C2H2) molecules under gas phase (P, ~ 1.14 kPa), under near room temperature (T, ~ 350 K) conditions. Association products, VmOnC2H+2 (m,n = 2,4; 2,6; 3,7-8; 4,9-11; 5,12-13;6,13-16, and 7,17), are observed. The oxidation of C2H2 by (V2O5)+n, (n = 1-3) is experimentally identified.The reactivity of (V2O5)+n decreases as n increases. Density functional theory (DFT) calculations were carried out to interpret the reaction mechanisms. The DFT results indicate that a terminal oxygen atom from V2O+5 can transfer overall barrierlessly to C2H2 at room temperature, which is in agreement with the experimental observation. Other experimental results such as the observation of V2O6C2H+2 and nonobservation of V2O7,8C2H+2 in the experiments are also well interpreted based on the DFT calculations.The reactivity of vanadium oxide clusters toward acetylene and other hydrocarbons may be considered in identifying molecular level mechanisms for related heterogeneous catalysis.

  8. π Type Lithium Bond Interaction between Ethylene,Acetylene,or Benzene and Amido-lithium

    Institute of Scientific and Technical Information of China (English)

    YUAN,Kun; LIU,Yanzhi; L(U),Lingling; ZHU,Yuancheng; ZHANG,Ji; ZHANG,dunyan

    2009-01-01

    The optimization geometries and interaction energy corrected by basis set super-position error (BSSE) of the lithium bond complexes between ethylene,acetylene,or benzene and amido-lithium have been calculated at the B3L YP/6-311++G** and MP2/6-311 ++-G** levels.And only one configuration was obtained for each lithium bond system.All the equilibrium geometries were confirmed to be stable state by analytical frequency computations.The calculations showed that all the N(2)-Li(4) bond lengths increased obviously and the red shift of N(2)-Li(4) stretching frequency occurred after complexes formed.The calculated binding energies with BSSE and zero-point vibrational energy corrections of complexes Ⅰ,Ⅱ and Ⅲ are -26.04,-24.86 and -30.02 kJ·mol-1 via an MP2 method,respectively.Natural bond orbital (NBO) theory analysis revealed that the three complexes were all formed with π type lithium bond interaction between ethylene,acetylene,or benzene and amido-lithium.

  9. Designing zeolite catalysts for size- and shape-selective reactions: Selective hydrogenation of acetylene in the presence of butadiene and ethylene

    Energy Technology Data Exchange (ETDEWEB)

    Corbin, D.R.; Abrams, L.; Bonifaz, C. (E.I. du Pont de Nemours Company, Wilmington, DE (USA))

    1989-02-01

    In the production of ethylene from the steam cracking of natural gas, small amounts of acetylene and butadiene are produced. Downstream, acetylene can present a hazard in a cryogenic separation process while nonselective hydrogenation removes acetylene as well as valuable ethylene and butadiene. With the aid of adsorption measurements, a selective hydrogenation catalyst has been designed. Small-pore zeolites, which serve as catalytic supports and provide reactant selective control, were ion-exchanged with Ni{sup 2+} and subsequently reduced. Compared to a commercial catalyst in which 60% of butadiene and all of the acetylene are hydrogenated, these new catalysts totally hydrogenate acetylene with only 10-20% hydrogenation of the butadiene and almost no hydrogenation of ethylene. To achieve selective hydrogenation, poisoning of the metal sites on the external zeolite surface is essential in order to obtain a product spectrum dominated by catalytic sites within the zeolite framework.

  10. Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 microm.

    Science.gov (United States)

    Amyay, Badr; Robert, Séverine; Herman, Michel; Fayt, André; Raghavendra, Balakrishna; Moudens, Audrey; Thiévin, Jonathan; Rowe, Bertrand; Georges, Robert

    2009-09-21

    A high temperature source has been developed and coupled to a high resolution Fourier transform spectrometer to record emission spectra of acetylene around 3 mum up to 1455 K under Doppler limited resolution (0.015 cm(-1)). The nu(3)-ground state (GS) and nu(2)+nu(4)+nu(5) (Sigma(u) (+) and Delta(u))-GS bands and 76 related hot bands, counting e and f parities separately, are assigned using semiautomatic methods based on a global model to reproduce all related vibration-rotation states. Significantly higher J-values than previously reported are observed for 40 known substates while 37 new e or f vibrational substates, up to about 6000 cm(-1), are identified and characterized by vibration-rotation parameters. The 3 811 new or improved data resulting from the analysis are merged into the database presented by Robert et al. [Mol. Phys. 106, 2581 (2008)], now including 15 562 lines accessing vibrational states up to 8600 cm(-1). A global model, updated as compared to the one in the previous paper, allows all lines in the database to be simultaneously fitted, successfully. The updates are discussed taking into account, in particular, the systematic inclusion of Coriolis interaction.

  11. Rhodium(III)-Catalyzed C-H Activation/Annulation with Vinyl Esters as an Acetylene Equivalent

    OpenAIRE

    Webb, NJ; Marsden, SP; Raw, SA

    2014-01-01

    The behavior of electron-rich alkenes in rhodium-catalyzed C–H activation/annulation reactions is investigated. Vinyl acetate emerges as a convenient acetylene equivalent, facilitating the synthesis of sixteen 3,4-unsubstituted isoquinolones, as well as select heteroaryl-fused pyridones. The complementary regiochemical preferences of enol ethers versus enol esters/enamides is discussed

  12. High-temperature measurements of methane and acetylene using quantum cascade laser absorption near 8μm

    KAUST Repository

    Sajid, M.B.

    2015-04-01

    The mid-infrared wavelength region near 8 mu m contains absorption bands of several molecules such as water vapor, hydrogen peroxide, nitrous oxide, methane and acetylene. A new laser absorption sensor based on the v(4) band of methane and the v(4)+v(5) band of acetylene is reported for interference-free, time-resolved measurements under combustion-relevant conditions. A detailed line-selection procedure was used to identify optimum transitions. Methane and acetylene were measured at the line centers of Q12 (1303.5 cm(-1)) and P23 (1275.5 cm(-1)) transitions, respectively. High-temperature absorption cross sections of methane and acetylene were measured at peaks (on-line) and valleys (off-line) of the selected absorption transitions. The differential absorption strategy was employed to eliminate interference absorption from large hydrocarbons. Experiments were performed behind reflected shock waves over a temperature range of 1200-2200 K, between pressures of 1-4 atm. The diagnostics were then applied to measure the respective species time-history profiles during the shock-heated pyrolysis of n-pentane. (C) 2015 Elsevier Ltd. All rights reserved.

  13. Carbon material formation on SBA-15 and Ni-SBA-15 and residue constituents during acetylene decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Chiang, Hung-Lung, E-mail: hlchiang@mail.cmu.edu.tw [Department of Risk Management, China Medical University, Taichung 40402, Taiwan (China); Wu, Trong-Neng [Department of Public Health, China Medical University, Taichung 40402, Taiwan (China); Ho, Yung-Shou [Department of Applied Chemistry and Materials Science, Fooyin University, Kaohsiung 831, Taiwan (China); Zeng, Li-Xuan [Department of Risk Management, China Medical University, Taichung 40402, Taiwan (China)

    2014-07-15

    Highlights: • Acetylene was decomposed on SBA-15 and Ni-SBA-15 at 650–850 °C. • Carbon spheres and filaments were formed after acetylene decomposition. • PAHs were determined in tar and residues. • Exhaust constituents include CO{sub 2}, H{sub 2}, NO{sub x} and hydrocarbon species. - Abstract: Carbon materials including carbon spheres and nanotubes were formed from acetylene decomposition on hydrogen-reduced SBA-15 and Ni-SBA-15 at 650–850 °C. The physicochemical characteristics of SBA-15, Ni-SBA-15 and carbon materials were analyzed by field emission scanning electronic microscopy (FE-SEM), Raman spectrometry, and energy dispersive spectrometry (EDS). In addition, the contents of polyaromatic hydrocarbons (PAHs) in the tar and residue and volatile organic compounds (VOCs) in the exhaust were determined during acetylene decomposition on SBA-15 and Ni-SBA-15. Spherical carbon materials were observed on SBA-15 during acetylene decomposition at 750 and 850 °C. Carbon filaments and ball spheres were formed on Ni-SBA-15 at 650–850 °C. Raman spectroscopy revealed peaks at 1290 (D-band, disorder mode, amorphous carbon) and 1590 (G-band, graphite sp{sup 2} structure) cm{sup −1}. Naphthalene (2 rings), pyrene (4 rings), phenanthrene (3 rings), and fluoranthene (4 rings) were major PAHs in tar and residues. Exhaust constituents of hydrocarbon (as propane), H{sub 2}, and C{sub 2}H{sub 2} were 3.9–2.6/2.7–1.5, 1.4–2.8/2.6–4.3, 4.2–2.4/3.2–1.7% when acetylene was decomposed on SBA-15/Ni-SBA-15, respectively, corresponding to temperatures ranging from 650 to 850 °C. The concentrations of 52 VOCs ranged from 9359 to 5658 and 2488 to 1104 ppm for SBA-15 and Ni-SBA-15 respectively, at acetylene decomposition temperatures from 650 to 850 °C, and the aromatics contributed more than 87% fraction of VOC concentrations.

  14. Analysis for Mar Vel Black and acetylene soot low reflectivity surfaces for star tracker sunshade applications

    Science.gov (United States)

    Yung, E.

    1974-01-01

    Mar Vel Black is a revolutionary new extremely low reflectivity anodized coating developed by Martin Marietta of Denver. It is of great interest in optics in general, and in star trackers specifically because it can reduce extraneous light reflections. A sample of Mar Vel Black was evaluated. Mar Vel Black looks much like a super black surface with many small peaks and very steep sides so that any light incident upon the surface will tend to reflect many times before exiting that surface. Even a high reflectivity surface would thus appear to have a very low reflectivity under such conditions. Conversely, acetylene soot does not have the magnified surface appearance of a super black surface. Its performance is, however, predictable from the surface structure, considering the known configuration of virtually pure carbon.

  15. Analysis of Effluent Gases During the CCVD Growth of Multi Wall Carbon Nanotubes from Acetylene

    Science.gov (United States)

    Schmitt, T. C.; Biris, A. S.; Miller, D. W.; Biris, A. R.; Lupu, D.; Trigwell, S.; Rahman, Z. U.

    2005-01-01

    Catalytic chemical vapor deposition was used to grow multi-walled carbon nanotubes on a Fe:Co:CaCO3 catalyst from acetylene. The influent and effluent gases were analyzed by gas chromatography and mass spectrometry at different time intervals during the nanotubes growth process in order to better understand and optimize the overall reaction. A large number of byproducts were identified and it was found that the number and the level for some of the carbon byproducts significantly increased over time. The CaCO3 catalytic support thermally decomposed into CaO and CO2 resulting in a mixture of two catalysts for growing the nanotubes, which were found to have outer diameters belonging to two main groups 8 to 35 nm and 40 to 60 nm, respectively.

  16. Shock-tube pyrolysis of acetylene - Sensitivity analysis of the reaction mechanism for soot formation

    Science.gov (United States)

    Frenklach, M.; Clary, D. W.; Gardiner, W. C., Jr.; Stein, S. E.

    1986-01-01

    The impact of thermodynamic parameters on the sensitivity of model predictions of soot formation by shock-tube pyrolysis of acetylene were assessed analytically. The pyrolysis process was treated as having three components: initiation, the initial pyrolysis stages; cyclization, formation of larger molecules and radicals and small aromatic molecules; and polymerization, further growth of aromatic rings. Rate equations are reviewed for each component. Thermodynamic effects were assessed by varying the C2H-H and C2H3-H bond energies and the Ct-(Ct) group additivity value. Any change in the C2H-H bond energy had a significant impact on the temperature and the maximum amount of the soot yield. The findings underscore the necessity of using accurate thermodynamic data for modeling high-temperature chemical kinetics.

  17. Synthesis, structure and cytotoxic activity of acetylenic derivatives of betulonic and betulinic acids

    Science.gov (United States)

    Bębenek, Ewa; Chrobak, Elwira; Wietrzyk, Joanna; Kadela, Monika; Chrobak, Artur; Kusz, Joachim; Książek, Maria; Jastrzębska, Maria; Boryczka, Stanisław

    2016-02-01

    A series of acetylenic derivatives of betulonic and betulinic acids has been synthesized and characterized by 1H and 13C NMR, IR and MS spectroscopy. The structure of propargyl betulonate 4 and propargyl betulinate-DMF solvate 8A was solved by X-ray diffraction. Thermal properties were examined using a DSC technique. The resulting alkynyl derivatives, as well as betulin 1 and betulinic acid 3, were evaluated in vitro for their cytotoxic activity against human T47D breast cancer, CCRF/CEM leukemia, SW707 colorectal, murine P388 leukemia and BALB3T3 normal fibroblasts cell lines. Several of the obtained compounds have a favorable cytotoxic profile than betulin 1. Propargyl betulinate 8 was the most active derivative, being up to 3-fold more potent than betulin 1 against the human leukemia (CCRF/CEM) cell line, with an IC50 value of 3.9 μg/mL.

  18. A New Acetylenic Compound and Other Bioactive Metabolites from a Shark Gill-derived Penicillium Strain

    Directory of Open Access Journals (Sweden)

    Yi Zhang

    2016-09-01

    Full Text Available Nine chiral compounds (1−9 were isolated from the static fermentation culture of a shark gill-derived fungus Penicillium polonicum AP2T1. These compounds include a new acetylenic aromatic ether (1 , (--WA , four alkaloids ( a urantiomide C ( 2 , fructigenine A (3, cyclopenin (4 and cyclopenol (5 and four oxygenated compounds ((R-penipratynolene (6, (3S,4S-3,4-dihydro-3,4,8-trihydroxyl-naphthalenone (7, verrucosidin (8 and norverrucosidin (9. Their structures were elucidated by MS, NMR , optical rotation and circular dichroism (CD . In antimicrobial tests , compounds 1–4, 6 and 8–9 showed weak antibacterial activity against Staphylococcus aureus, Bacillus subtilis, and/or Escherichia coli.Compounds 3, 8 and 9 also exhibited moderate toxicity against Artemia salina larva , and showed cytotoxicity against human colon cancer cell line HCT116.

  19. Double resonant absorption measurement of acetylene symmetric vibrational states probed with cavity ring down spectroscopy

    CERN Document Server

    Karhu, J; Vainio, M; Metsälä, M; Hoekstra, S; Halonen, L

    2016-01-01

    A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to populate an intermediate vibrational state. High output power of the optical parametric oscillator and the strength of the mid-infrared transition result in efficient population transfer to the intermediate state, which allows measuring secondary transitions from this state with a high signal-to-noise ratio. A secondary, near-infrared transition from the intermediate state is probed using cavity ring down spectroscopy, which provides high sensitivity in this wavelength region. Due to the narrow linewidths of the excitation sources, the rovibrational lines of the secondary transition are measured with sub-Doppler resolution. The setup is used to access a previously unreported symmetric vibrational state of acetylene, $\

  20. A novel metal-organic framework for high storage and separation of acetylene at room temperature

    Science.gov (United States)

    Duan, Xing; Wang, Huizhen; Ji, Zhenguo; Cui, Yuanjing; Yang, Yu; Qian, Guodong

    2016-09-01

    A novel 3D microporous metal-organic framework with NbO topology, [Cu2(L)(H2O)2]•(DMF)6·(H2O)2 (ZJU-10, ZJU = Zhejiang University; H4L =2‧-hydroxy-[1,1‧:4‧,1″-terphenyl]-3,3″,5,5″-tetracarboxylic acid; DMF =N,N-dimethylformamide), has been synthesized and structurally characterized. With suitable pore sizes and open Cu2+ sites, ZJU-10a exhibits high BET surface area of 2392 m2/g, as well as moderately high C2H2 volumetric uptake capacity of 132 cm3/cm3. Meanwhile, ZJU-10a is a promising porous material for separation of acetylene from methane and carbon dioxide gas mixtures at room temperature.

  1. Dubinin-Astakhov model for acetylene adsorption on metal-organic frameworks

    Science.gov (United States)

    Cheng, Peifu; Hu, Yun Hang

    2016-07-01

    Acetylene (C2H2) is explosive at a pressure above 29 psi, causing a safety issue for its storage and applications. C2H2 adsorption on metal-organic frameworks (MOFs) has been explored to solve the issue. However, a suitable isotherm equation for C2H2 adsorption on various MOFs has not been found. In this paper, it was demonstrated that Dubinin-Astakhov equation can be exploited as a general isotherm model to depict C2H2 adsorption on MOF-5, ZIF-8, HKUST-1, and MIL-53. In contrast, commonly used Langmuir and BET models exhibited their inapplicability for C2H2 adsorption on those MOFs.

  2. Computational simulations of hydrogen circular migration in protonated acetylene induced by circularly polarized light.

    Science.gov (United States)

    Shi, Xuetao; Li, Wen; Schlegel, H Bernhard

    2016-08-28

    The hydrogens in protonated acetylene are very mobile and can easily migrate around the C2 core by moving between classical and non-classical structures of the cation. The lowest energy structure is the T-shaped, non-classical cation with a hydrogen bridging the two carbons. Conversion to the classical H2CCH(+) ion requires only 4 kcal/mol. The effect of circularly polarized light on the migration of hydrogens in oriented C2H3 (+) has been simulated by Born-Oppenheimer molecular dynamics. Classical trajectory calculations were carried out with the M062X/6-311+G(3df,2pd) level of theory using linearly and circularly polarized 32 cycle 7 μm cosine squared pulses with peak intensity of 5.6 × 10(13) W/cm(2) and 3.15 × 10(13) W/cm(2), respectively. These linearly and circularly polarized pulses transfer similar amounts of energy and total angular momentum to C2H3 (+). The average angular momentum vectors of the three hydrogens show opposite directions of rotation for right and left circularly polarized light, but no directional preference for linearly polarized light. This difference results in an appreciable amount of angular displacement of the three hydrogens relative to the C2 core for circularly polarized light, but only an insignificant amount for linearly polarized light. Over the course of the simulation with circularly polarized light, this corresponds to a propeller-like motion of the three hydrogens around the C2 core of protonated acetylene. PMID:27586924

  3. Computational simulations of hydrogen circular migration in protonated acetylene induced by circularly polarized light

    Science.gov (United States)

    Shi, Xuetao; Li, Wen; Schlegel, H. Bernhard

    2016-08-01

    The hydrogens in protonated acetylene are very mobile and can easily migrate around the C2 core by moving between classical and non-classical structures of the cation. The lowest energy structure is the T-shaped, non-classical cation with a hydrogen bridging the two carbons. Conversion to the classical H2CCH+ ion requires only 4 kcal/mol. The effect of circularly polarized light on the migration of hydrogens in oriented C2H3+ has been simulated by Born-Oppenheimer molecular dynamics. Classical trajectory calculations were carried out with the M062X/6-311+G(3df,2pd) level of theory using linearly and circularly polarized 32 cycle 7 μm cosine squared pulses with peak intensity of 5.6 × 1013 W/cm2 and 3.15 × 1013 W/cm2, respectively. These linearly and circularly polarized pulses transfer similar amounts of energy and total angular momentum to C2H3+. The average angular momentum vectors of the three hydrogens show opposite directions of rotation for right and left circularly polarized light, but no directional preference for linearly polarized light. This difference results in an appreciable amount of angular displacement of the three hydrogens relative to the C2 core for circularly polarized light, but only an insignificant amount for linearly polarized light. Over the course of the simulation with circularly polarized light, this corresponds to a propeller-like motion of the three hydrogens around the C2 core of protonated acetylene.

  4. A model for the ethylene and acetylene adsorption on the surface of Cun(n = 10-15) nanoclusters: A theoretical study

    Science.gov (United States)

    Farmanzadeh, Davood; Abdollahi, Tahereh

    2016-11-01

    In this work, we report the results of density functional theory calculations of ethylene and acetylene adsorption on the most stable Cun (n = 10-15) nanoclusters, in two π and di- σ adsorption modes. Both the hydrocarbons molecularly adsorbed on the surface. Our results show that the quality of interaction of ethylene and acetylene with odd copper nanoclusters (n = 11, 13, 15) is different from what is found on even copper nanoclusters (n = 10, 12, 14). One of the interesting features of this adsorption is that acetylene never orient toward di-σ mode for Cusbnd Cu bond in odd copper nanoclusters. Also, for di- σ-CunC2H4, no stable structure is identified. The highest interaction and deformation energies are seen for the adsorption of acetylene and ethylene on Cu11 in π-mode.

  5. Slow intramolecular vibrational redistribution: the latest results for trifluoropropyne, a comparison with the other terminal acetylenes and the mechanism*

    Science.gov (United States)

    Malinovsky, A. L.; Makarov, A. A.; Ryabov, E. A.

    2012-05-01

    We studied the dynamics of intramolecular vibrational redistribution (IVR) from the initially excited mode ν1≈3330 cm-1 (acetylene-type H-C bond) in H{-}C\\equivC{-}CF_3 molecules in the gaseous phase by means of time-resolved anti-Stokes spontaneous Raman scattering. The time constant of this process was estimated as 2.3 ns—this is the slowest IVR time reported so far for the room-temperature gases. We have compared this result with earlier results on the other terminal acetylene molecules, and give an explanation of this low IVR rate. Our suggestion for it follows from an assumption that the most probable doorway state leading to IVR from \

  6. 甲烷部分氧化制乙炔过程研究%A Study of Acetylene Production by Methane Flaming in a Partial Oxidation Reactor

    Institute of Scientific and Technical Information of China (English)

    刘业飞; 王铁峰; 李庆勋; 王德峥

    2011-01-01

    The partial oxidation of hydrocarbons is an important technical route to produce acetylene for chemical industry. The partial oxidation reactor is the key to high acetylene yields. This work is an experimental and numerical study on the use of a methane flame to produce acetylene. A lab scale partial oxidation reactor was used to produce ultra fuel-rich premixed jet flames. The axial temperature and species concentration profiles were measured for different equivalence ratios and preheating temperatures, and these were compared to numerical results from Computational Fluid Dynamics (CFD) simulations that used the Reynolds Averaged Navier-Stokes Probability Density Function (RANS-PDF) approach coupled with detailed chemical mechanisms. The Leeds 1.5, GRI 3.0 and San Diego mechanisms were used to investigate the effect of the detailed chemical mechanisms. The effects of equivalence ratio and preheating temperature on acetylene production were experimentally and numerically studied. The experimental validations indicated that the present numerical simulation provided reliable prediction on the partial oxidation of methane. Using this simulation method the optimal equivalence ratio for acetylene production was determined to be 3.6. Increasing preheating temperature improved acetylene production and shortened greatly the ignition delay time. So the increase of preheating temperature had to be limited to avoid uncontrolled ignition in the mixing chamber and the pyrolysis of methane in the preheater.

  7. Quantum Chemical Evaluation of the Astrochemical Significance of Reactions between S Atom and Acetylene or Ethylene

    Science.gov (United States)

    Woon, David E.

    2007-01-01

    Addition-elimination reactions of S atom in its P-3 ground state with acetylene (C2H2) and ethylene (C2H4) were characterized with both molecular orbital and density functional theory calculations employing correlation consistent basis sets in order to assess the likelihood either reaction might play a general role in astrochemistry or a specific role in the formation of S2 (X (sup 3 SIGMA (sub g) (sup -)) via a mechanism proposed by Saxena and Misra (Mon. Not. R. Astron. Soc. 1995, 272, 89). The acetylene and ethylene reactions proceed through C2H2S ((sup 3)A")) and C2H4S ((sup 3)A")) intermediates, respectively, to yield HCCS ((sup 2)II)) and C2H3S ((sup 2)A')). Substantial barriers were found in the exit channels for every combination of method and basis set considered in this work, which effectively precludes hydrogen elimination pathways for both S + C2H2 and S + C2H4 in the ultracold interstellar medium where only very modest barriers can be surmounted and processes without barriers tend to predominate. However, if one or both intermediates is formed and stabilized efficiently under cometary or dense interstellar cloud conditions, they could serve as temporary reservoirs for S atom and participate in reactions such as S + C2H2S (right arrow) S2 = C2H2 or S + C2H4S (right arrow) S2 + C2H4. For formation and stabilization to be efficient, the reaction must possess a barrier height small enough to be surmountable at low temperatures yet large enough to prevent redissociation to reactants. Barrier heights computed with B3LYP and large basis sets are very low, but more rigorous QCISD(T) and RCCSD(T) results indicate that the barrier heights are closer to 3-4 kcal/mol. The calculations therefore indicate that S + C2H2 or S + C2H4 could contribute to the formation of S2 in comets and may serve as a means to gauge coma temperature. The energetics of the ethylene reaction are more favorable.

  8. Frequency Comb-Referenced Spectroscopy in the ν1 + ν3 Region of Acetylene

    Science.gov (United States)

    Cich, Matthew J.; Forthomme, Damien; Hall, Gregory E.; Mcraven, Christopher P.; Sears, Trevor J.; Twagirayezu, Sylvestre

    2014-06-01

    class="MsoNormal">By using saturation dip absorption spectroscopy with an extended cavity diode laser locked to a frequency comb, we have measured the rest frequencies of transitions in the ν4 = 1 and ν5 = 1 hot bands in the ν1 + ν3 combination band of acetylene. The measured line frequencies are accurate to approximately 20 kHz i.e. approximately one part in 1011. Positions of the hot-band lines quoted in the HITRAN database, which are derived from the analysis of high-resolution FTIR spectra, are of the order of 10's of MHz in error. These measurements were undertaken because pressure broadened lineshape measurements of rotational lines in the combination band indicated that weak underlying hot band features were not correctly accounted for on the basis of their previously reported positions. As a result, measured line profiles in the band could not be accurately fit leading to errors of up to 1% in acetylene concentrations derived from the measurements. In addition, the pressure broadened P(11) line in the ν1 + ν3 combination band has been studied as a function of varying concentration of the absorber in nitrogen. Mixture concentrations of 1, 5 and 10% at 296 K and pressures between a few Torr and one atmosphere were made and the measurements analyzed using two different speeddependent broadening models. These experiments are designed to test the additivity of contributions to pressure broadening and shift in speed-dependent line-shape modeling, i.e. whether the lineshape parameters follow partial pressure weighting in the binary mixtures. P(11) is relatively isolated with respect to underlying hot band transitions and neighboring transitions of the same band, but it was found that the accurate positions of underlying hot-band transitions were crucial to the successful modeling of the observed line shapes, even though these lines are typically 100-1000 times weaker than P(11) itself and are many Doppler line widths removed from the line center

  9. Growth of bridging carbon nanofibers in cracks formed by heat-treating iron oxide thin sheets in acetylene gas

    OpenAIRE

    Takeshi Hikata; Soichiro Okubo; Yugo Higashi; Teruaki Matsuba; Risa Utsunomiya; Sadahiro Tsurekawa; Katsuhisa Murakami; Jun-ichi Fujita

    2013-01-01

    We produced novel carbon nanofibers (CNFs) by oxidizing high-purity iron foil and then carburizing it in acetylene gas flow. This formed cracks in the heat-treated iron foil with CNFs bridging the two walls of each crack. The CNFs were drawn out from the walls as the crack opened during heat treatment. This will be a new method to grow and arrange carbon nanotubes and nanosheets without using metal nanoparticles or template substrates.

  10. Growth of bridging carbon nanofibers in cracks formed by heat-treating iron oxide thin sheets in acetylene gas

    Directory of Open Access Journals (Sweden)

    Takeshi Hikata

    2013-04-01

    Full Text Available We produced novel carbon nanofibers (CNFs by oxidizing high-purity iron foil and then carburizing it in acetylene gas flow. This formed cracks in the heat-treated iron foil with CNFs bridging the two walls of each crack. The CNFs were drawn out from the walls as the crack opened during heat treatment. This will be a new method to grow and arrange carbon nanotubes and nanosheets without using metal nanoparticles or template substrates.

  11. Importance of surface carbide formation on the activity and selectivity of Pd surfaces in the selective hydrogenation of acetylene

    Science.gov (United States)

    Yang, Bo; Burch, Robbie; Hardacre, Christopher; Hu, P.; Hughes, Philip

    2016-04-01

    A recent experimental investigation (Kim et al. J. Catal. 306 (2013) 146-154) on the selective hydrogenation of acetylene over Pd nanoparticles with different shapes concluded that Pd(100) showed higher activity and selectivity than Pd(111) for acetylene hydrogenation. However, our recent density functional calculations (Yang et al. J. Catal. 305 (2013) 264-276) observed that the clean Pd(111) surface should result in higher activity and ethylene selectivity compared with the clean Pd(100) surface for acetylene hydrogenation. In the current work, using density functional theory calculations, we find that Pd(100) in the carbide form gives rise to higher activity and selectivity than Pd(111) carbide. These results indicate that the catalyst surface is most likely in the carbide form under the experimental reaction conditions. Furthermore, the adsorption energies of hydrogen atoms as a function of the hydrogen coverage at the surface and subsurface sites over Pd(100) are compared with those over Pd(111), and it is found that the adsorption of hydrogen atoms is always less favoured on Pd(100) over the whole coverage range. This suggests that the Pd(100) hydride surface will be less stable than the Pd(111) hydride surface, which is also in accordance with the experimental results reported.

  12. Molecular Heterogeneous Catalysis: a Single-Site Zeolite-Supported Rhodium Complex for Acetylene Cyclotrimerization

    International Nuclear Information System (INIS)

    By anchoring metal complexes to supports, researchers have attempted to combine the high activity and selectivity of molecular homogeneous catalysis with the ease of separation and lack of corrosion of heterogeneous catalysis. However, the intrinsic nonuniformity of supports has limited attempts to make supported catalysts truly uniform. We report the synthesis and performance of such a catalyst, made from (Rh(C2H4)2(CH3COCHCOCH3)) and a crystalline support, dealuminated Y zeolite, giving {Rh(C2H4)2} groups anchored by bonds to two zeolite oxygen ions, with the structure determined by extended X-ray absorption fine structure (EXAFS) spectroscopy and the uniformity of the supported complex demonstrated by 13C NMR spectroscopy. When the ethylene ligands are replaced by acetylene, catalytic cyclotrimerization to benzene ensues. Characterizing the working catalyst, we observed evidence of intermediates in the catalytic cycle by NMR spectroscopy. Calculations at the level of density functional theory confirmed the structure of the as-synthesized supported metal complex determined by EXAFS spectroscopy. With this structure as an anchor, we used the computational results to elucidate the catalytic cycle (including transition states), finding results in agreement with the NMR spectra.

  13. Nitrogen fixation (acetylene reduction) by annual winter legumes on a coal surface mine

    Energy Technology Data Exchange (ETDEWEB)

    Gabrielson, F.C.

    1982-01-01

    The winter annuals, crimson clover, rose clover, subterranean clover and hairy vetch, were evaluated for their ability to fix nitrogen on coal surface mine substrates by measuring their ability to reduce acetylene to ethylene. The effects of fertilizer, Abruzzi ryegrass, Kentucky 31 fescue grass and a phytotoxic plant Chenopodium album on nitrogen fixation was also assessed. Crimson clover was recommended as the best legume to use on topsoil and shale in the South. Hairy vetch gave good results on shale and subterranean clover did well on topsoil. The use of these species for revegetation is discussed. Overall, no correlation between substrate pH and ethylene levels was found and effects of substrate depended upon the legume species. Super phosphate fertilizer supported less nitrogen fixation than 13-13-13. Abruzzi ryegrass in some unknown way inhibited plant density and nitrogen fixation by legumes but not by free living substrate micro-organisms. Shale from under dead Chenopodium plants in both field and greenhouse experiments did not inhibit nitrogen fixation. 11 references, 7 tables.

  14. Nitrogen fixation (Acetylene Reduction) by annual winter legumes on a coal surface mine

    Energy Technology Data Exchange (ETDEWEB)

    Gabrielson, F.C.

    1982-01-01

    The winter annuals, crimson clover, rose clover, subterranean clover and hairy vetch, were evaluated for nitrogen fixing capacity on coal surface mine substrates by measuring their ability to reduce acetylene to ethylene. The effects of fertilizer, Abruzzi rye, Kentucky 31 fescue grass and a phytotoxic plant Chenopodium album on nitrogen fixation were also assessed. Crimson clover was recommended as the best legume to use on topsoil and shale in the south. Hairy vetch gave good results on shale and subterranean clover did well on topsoil. The use of these species for revegetation is discussed. Overall, no correlation between substrate pH and ethylene levels was found and effects of substrate depended upon the legume species. Super phosphate fertilizer supported less nitrogen fixation than 13-13-13. Abruzzi rye in some unknown way inhibited plant density and nitrogen fixation by legumes but not by free living substrate micro-organisms. Shale from under dead Chenopodium plants in both field and greehouse experiments did not inhibit nitrogen fixation. 7 tables.

  15. Theoretical investigation of alignment-dependent intense-field fragmentation of acetylene

    Science.gov (United States)

    Doblhoff-Dier, Katharina; Kitzler, Markus; Gräfe, Stefanie

    2016-07-01

    We analyze the alignment-dependent dissociative and nondissociative ionization of acetylene, C2H2 . Numerical models describing the yield of the singly and doubly charged ions (C2H2+,C2H22 +) and several fragmentation and isomerization channels (C2H++H+ ,CH++CH+ ,CH2++C+ ) as a function of the relative alignment angle between the laser polarization axis and the molecular axis are presented. We apply and compare two different approaches. The first is based on time-dependent density functional theory. The second is a quasi-single-particle approach using the Dyson orbitals. We find good agreement between the results of both methods. A comparison of our theoretical predictions with experimental data allows us to show that the alignment-dependent yield of most reaction channels is described to high accuracy assuming sequential ionization. However, for some of the fragmentation channels, namely, CH++CH+ and C2H++H+ , we find non-negligible influence of recollisional ionization.

  16. Inlet effect on the coal pyrolysis to acetylene in a hydrogen plasma downer reactor

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Y.; Chen, J.Q.; Ding, Y.L.; Jin, Y. [Tsinghua Univ., Beijing (China). Dept. of Chemical Engineering, Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology; Xiong, X.Y. [Xinjiang Tianye Corp., Shihezi (China)

    2008-06-15

    In this study a gas-solid downer reactor was used to characterize high temperature reactions of coal pyrolysis. The aim of the study was to examine the influence of the coal injection design on reactor performance in a 2 MW plasma reactor. Computational fluid dynamics (CFD) simulations were used to model complex reacting flows in the coal pyrolysis process in order to examine the effects of nozzle design on the initial distribution of the coal particles. A 2-fluid model was used to calculate solids viscosity and pressure from the kinetic theory of granular flow as well as to solve partial differential equations for granular temperatures. Results of the simulations showed that gas flow and particle jets through the nozzles played a significant role in the distribution of the coal particles. Coal dispersion at the inlet was dependent on flow conditions. Flat-shaped nozzles provided flexible control on gas-particle contacts during the initial stages. When the layout of the nozzles was tuned, solids flow formed either swirling or non-swirling actions in the reactor. It was concluded that the volume fraction of the acetylene in the product gas was increased by more than 20 per cent when the nozzles were optimally arranged. 9 refs., 1 tab., 8 figs.

  17. Diffusion air effects on the soot axial distribution concentration in a premixed acetylene/air flame

    Energy Technology Data Exchange (ETDEWEB)

    Fassani, Fabio Luis; Santos, Alex Alisson Bandeira; Goldstein Junior, Leonardo [Universidade Estadual de Campinas, SP (Brazil). Faculdade de Engenharia Mecanica. Dept. de Engenharia Termica e de Fluidos]. E-mails: fassani@fem.unicamp.br; absantos@fem.unicamp.br; leonardo@fem.unicamp.br; Ferrari, Carlos Alberto [Universidade Estadual de Campinas, SP (Brazil). Inst. de Fisica. Dept. de Eletronica Quantica]. E-mail: ferrari@ifi.unicamp.br

    2000-07-01

    Soot particles are produced during the high temperature pyrolysis or combustion of hydrocarbons. The emission of soot from a combustor, or from a flame, is determined by the competition between soot formation and its oxidation. Several factors affect these processes, including the type of fuel, the air-to-fuel ratio, flame temperature, pressure, and flow pattern. In this paper, the influence of the induced air diffusion on the soot axial distribution concentration in a premixed acetylene/air flame was studied. The flame was generated in a vertical axis burner in which the fuel - oxidant mixture flow was surrounded by a nitrogen discharge coming from the annular region between the burner tube and an external concentric tube. The nitrogen flow provided a shield that protected the flame from the diffusion of external air, enabling its control. The burner was mounted on a step-motor driven, vertical translation table. The use of several air-to-fuel ratios made possible to establish the sooting characteristics of this flame, by measuring soot concentration along the flame height with a non-intrusive laser light absorption technique. (author)

  18. Spitzer observations of acetylene bands in carbon-rich AGB stars in the Large Magellanic Cloud

    CERN Document Server

    Matsuura, M; Sloan, G C; Zijlstra, A A; Van Loon, J T; Groenewegen, M A T; Blommaert, J A D L; Cioni, M R L; Feast, M W; Habing, H J; Hony, S; Lagadec, E; Loup, C; Menzies, J W; Waters, L B F M; Whitelock, P A

    2006-01-01

    We investigate the molecular bands in carbon-rich AGB stars in the Large Magellanic Cloud (LMC), using the InfraRed Spectrograph (IRS) on board the Spitzer Space Telescope (SST) over the 5--38 micron range. All 26 low-resolution spectra show acetylene (C2H2) bands at 7 and 14 micron. The hydrogen cyanide (HCN) bands at these wavelengths are very weak or absent. This is consistent with low nitrogen abundances in the LMC. The observed 14 micron C2H2 band is reasonably reproduced by an excitation temperature of 500 K. There is no clear dilution of the 14 micron band by circumstellar dust emission. This 14 micron band originates from molecular gas in the circumstellar envelope in these high mass-loss rate stars, in agreement with previous findings for Galactic stars. The C2H2,column density, derived from the 13.7 micron band, shows a gas mass-loss rate in the range 3x10^-6 to 5x10^{-5} Msun yr-1. This is comparable with the total mass-loss rate of these stars estimated from the spectral energy distribution. Addit...

  19. DFT study of selective hydrogenation of acetylene to ethylene on Pd doping Ag nanoclusters

    Science.gov (United States)

    Liu, D.

    2016-11-01

    Recently, it has been reported that the reaction selectivity of catalytic hydrogenation of acetylene to ethylene can be significantly enhanced via the approach of Pd mono-atomic catalysis [Pei et al. ACS Catal. 5 (2015) 3717-3725]. To explain the catalytic mechanism of this binary alloy catalyst, C2H2 hydrogenation reactions on Pd doping Ag nanoclusters are studied using density functional theory simulations. The simulation results indicate that H2 and C2H2 can simultaneously bind with a single Pd doping atom no matter it is on vertex and edge sites of Ag clusters. The following H2 dissociation and C2H2 hydrogenation are not difficult since the corresponding reaction barrier values are no more than 0.58 eV. The generated C2H4 molecule can not be further hydrogenated since it locates on the top of Pd doping atom, which is the only adsorption site for H2. On two Pd doping atoms at contiguous sites of Ag clusters, C2H4 hydrogenation reactions can be carried out since there are enough sites for co-adsorption of H2 and C2H4.

  20. Picosecond phase conjugation in two-photon absorption in poly-di-acetylenes

    International Nuclear Information System (INIS)

    Poly-di-acetylenes exhibit a large two-photon absorption at 1064 nm wavelength. Its different effects on phase-conjugate nonlinearity are described in the framework of picosecond experiments. In solutions, gels, and films (optically thin media), third-order susceptibility appears as an increasing intensity dependent function. Phase measurements by nonlinear interferometry with the substrate or with the solvent are compared with predictions of a resonantly driven three level system. Phase-conjugate response exhibits a multi-exponential decay. Polarization symmetries analysis shows a one-dimensional effect. Study under strong static electric field action reveals that we face charged species bound to photoconductive polymer chains. In PTS single crystals (optically thick media), response saturates and cancels at high light intensity. This is well accounted for by propagation equations solved in large two-photon absorption conditions. The effect is exploited in a phase conjugation experiment under external optical pump excitation. We thus demonstrate that enhanced nonlinearity is a two-photon absorption relayed and amplified by mid-gap absorbing species which have been created by this two-photon absorption. We formally face a four-photon absorption described by a positive imaginary seventh-order non-linearity. (author)

  1. Chromophores from photolyzed ammonia reacting with acetylene: Application to Jupiter's Great Red Spot

    Science.gov (United States)

    Carlson, R. W.; Baines, K. H.; Anderson, M. S.; Filacchione, G.; Simon, A. A.

    2016-08-01

    The high altitude of Jupiter's Great Red Spot (GRS) may enhance the upward flux of gaseous ammonia (NH3) into the high troposphere, where NH3 molecules can be photodissociated and initiate a chain of chemical reactions with downwelling acetylene molecules (C2H2). These reactions, experimentally studied earlier by (Ferris and Ishikawa [1987] Nature 326, 777-778) and (Ferris and Ishikawa [1988] J. Amer. Chem. Soc. 110, 4306-4312), produce chromophores that absorb in the visible and ultraviolet regions. In this work we photolyzed mixtures of NH3 and C2H2 using ultraviolet radiation with a wavelength of 214 nm and measured the spectral transmission of the deposited films in the visible region (400-740 nm). From these transmission data we estimated the imaginary indices of refraction. Assuming that ammonia grains at the top of the GRS clouds are coated with this material, we performed layered sphere and radiative transfer calculations to predict GRS reflection spectra. Comparison of those results with observed and previously unreported Cassini visible spectra and with true-color images of the GRS show that the unknown GRS chromophore is spectrally consistent with the coupled NH3-C2H2 photochemical products produced in our laboratory experiments. Using high-resolution mass spectrometry and infrared spectroscopy we infer that the chromophore-containing residue is composed of aliphatic azine, azo, and diazo compounds.

  2. Oxy-acetylene driven laboratory scale shock tubes for studying blast wave effects

    CERN Document Server

    Courtney, Michael

    2011-01-01

    Instrumentation is needed to produce realistic blast waves in a laboratory setting. This paper describes the development and characterization of oxy-acetylene driven, laboratory scale shock tubes for use in studying blast injury, candidate armor materials, and material properties at blast loading rates. The pressure-time profiles show a true shock front and exponential decay characteristic of blast waves and have relevant durations. The modular design includes shock tube diameters of 27 mm and 41 mm, and a selection of peak pressures from 204 kPa to 920 kPa can be produced by selection of the driver section diameter and placement of the test sample. Characterization studies of several driver/driven section combinations showed consistent results, with peak pressures having 0.8 - 6.9 percent uncertainty in the mean. This shock tube design provides a more realistic blast profile than current air-driven shock tubes. In addition, operation does not require specialized personnel or facilities like most blast-driven...

  3. Chromophores from photolyzed ammonia reacting with acetylene: Application to Jupiters Great Red Spot

    Science.gov (United States)

    Carlson, Robert W.; Baines, Kevin H.; Anderson, M. S.; Filacchione, G.; Simon, A. A.

    2016-01-01

    The high altitude of Jupiter's Great Red Spot (GRS) may enhance the upward flux of gaseous ammonia (NH3 ) into the high troposphere, where NH3 molecules can be photodissociated and initiate a chain of chemical reactions with downwelling acetylene molecules (C2H2 ). These reactions, experimentally studied earlier by (Ferris and Ishikawa [1987] Nature 326, 777-778) and (Ferris and Ishikawa [1988] J. Amer. Chem. Soc. 110, 4306-4312), produce chromophores that absorb in the visible and ultraviolet regions. In this work we photolyzed mixtures of NH3 and C2H2 using ultraviolet radiation with a wavelength of 214 nm and measured the spectral transmission of the deposited films in the visible region (400-740 nm). From these transmission data we estimated the imaginary indices of refraction. Assuming that ammonia grains at the top of the GRS clouds are coated with this material, we performed layered sphere and radiative transfer calculations to predict GRS reflection spectra. Comparison of those results with observed and previously unreported Cassini visible spectra and with true-color images of the GRS show that the unknown GRS chromophore is spectrally consistent with the coupled NH3-C2H2 photochemical products produced in our laboratory experiments. Using high-resolution mass spectrometry and infrared spectroscopy we infer that the chromophore-containing residue is composed of aliphatic azine, azo, and diazo compounds.

  4. Zwitterionic Surfactant Modified Acetylene Black Paste Electrode for Highly Facile and Sensitive Determination of Tetrabromobisphenol A

    Directory of Open Access Journals (Sweden)

    Xiaoyun Wei

    2016-09-01

    Full Text Available A electrochemical sensor for the highly sensitive detection of tetrabromobisphenol A (TBBPA was fabricated based on acetylene black paste electrode (ABPE modified with 3-(N,N-Dimethylpalmitylammonio propanesulfonate (SB3-16 in this study. The peak current of TBBPA was significantly enhanced at SB3-16/ABPE compared with unmodified electrodes. To further improve the electrochemical performance of the modified electrode, corresponding experimental parameters such as the length of hydrophobic chains of zwitterionic surfactant, the concentration of SB3-16, pH value, and accumulation time were examined. The peak currents of TBBPA were found to be linearly correlated with its concentrations in the range of 1 nM to 1 µM, with a detection limit of 0.4 nM. Besides, a possible mechanism was also discussed, and the hydrophobic interaction between TBBPA and the surfactants was suggested to take a leading role in enhancing the responses. Finally, this sensor was successfully employed to detect TBBPA in water samples.

  5. Global modeling of vibration-rotation spectra of the acetylene molecule

    Science.gov (United States)

    Lyulin, O. M.; Perevalov, V. I.

    2016-07-01

    The global modeling of both line positions and intensities of the acetylene molecule in the 50-9900 cm-1 region has been performed using the effective operators approach. The parameters of the polyad model of effective Hamiltonian have been fitted to the line positions collected from the literature. The used polyad model of effective Hamiltonian takes into account the centrifugal distortion, rotational and vibrational ℓ-doubling terms and both anharmonic and Coriolis resonance interaction operators arising due to the approximate relations between the harmonic frequencies: ω1≈ω3≈5ω4≈5ω5 and ω2≈3ω4≈3ω5. The dimensionless weighted standard deviation of the fit is 2.8. The fitted set of 237 effective Hamiltonian parameters allowed reproducing 24,991 measured line positions of 494 bands with a root mean squares deviation 0.0037 cm-1. The eigenfunctions of the effective Hamiltonian corresponding to the fitted set of parameters were used to fit the observed line intensities collected from the literature for 15 series of transitions: ΔP = 0-13,15, where P=5V1+5V3 +3V2+V4+V5 is the polyad number (Vi are the principal vibrational quantum numbers). The fitted sets of the effective dipole moment parameters reproduce the observed line intensities within their experimental uncertainties 2-20%.

  6. Analysis of the influence of various effects on frequency shifts of the acetylene saturated absorption lines

    Institute of Scientific and Technical Information of China (English)

    Dong Lei; Zhang Lei; Dou Hai-Peng; Yin Wang-Bao; Jia Suo-Tang

    2008-01-01

    Frequency shifts of the acetylene saturated absorption lines at 1.5μm with temperature,gas pressure and laser power have been investigated in detail.The second-order Doppler effect,the recoil effect,the Zeeman effect,the pressure shift and the power shift are taken into consideration.The magnitudes of those shifts caused by various effects are evaluated.In order to reproduce the stability of 5.7 x 10-14 obtained by Edwards,all necessary conditions are given.The results show that when there is a larger external magnetic field,the Zeeman shift could not be neglected,so that the shield should be employed.And the design of a long cavity is advantageous to reduce the influence of the second-order Doppler effect.The results also show that at least ±2.5°C temperature control for cavity can effectively prevent several effects and improve the frequency stability.

  7. Antitrypanosomal Acetylene Fatty Acid Derivatives from the Seeds of Porcelia macrocarpa (Annonaceae).

    Science.gov (United States)

    de Á Santos, Luciana; Cavalheiro, Alberto J; Tempone, Andre G; Correa, Daniela S; Alexandre, Tatiana R; Quintiliano, Natalia F; Rodrigues-Oliveira, André F; Oliveira-Silva, Diogo; Martins, Roberto Carlos C; Lago, João Henrique G

    2015-05-07

    Chagas' disease is caused by a parasitic protozoan and affects the poorest population in the world, causing high mortality and morbidity. As a result of the toxicity and long duration of current treatments, the discovery of novel and more efficacious drugs is crucial. In this work, the hexane extract from seeds of Porcelia macrocarpa R.E. Fries (Annonaceae) displayed in vitro antitrypanosomal activity against trypomastigote forms of T. cruzi by the colorimetric MTT assay (IC50 of 65.44 μg/mL). Using chromatographic fractionation over SiO2, this extract afforded a fraction composed by one active compound (IC50 of 10.70 µg/mL), which was chemically characterized as 12,14-octadecadiynoic acid (macrocarpic acid). Additionally, two new inactive acetylene compounds (α,α'-dimacro-carpoyl-β-oleylglycerol and α-macrocarpoyl-α'-oleylglycerol) were also isolated from the hexane extract. The complete characterization of the isolated compounds was performed by analysis of NMR and MS data as well as preparation of derivatives.

  8. Antitrypanosomal Acetylene Fatty Acid Derivatives from the Seeds of Porcelia macrocarpa (Annonaceae

    Directory of Open Access Journals (Sweden)

    Luciana de Á. Santos

    2015-05-01

    Full Text Available Chagas’ disease is caused by a parasitic protozoan and affects the poorest population in the world, causing high mortality and morbidity. As a result of the toxicity and long duration of current treatments, the discovery of novel and more efficacious drugs is crucial. In this work, the hexane extract from seeds of Porcelia macrocarpa R.E. Fries (Annonaceae displayed in vitro antitrypanosomal activity against trypomastigote forms of T. cruzi by the colorimetric MTT assay (IC50 of 65.44 μg/mL. Using chromatographic fractionation over SiO2, this extract afforded a fraction composed by one active compound (IC50 of 10.70 µg/mL, which was chemically characterized as 12,14-octadecadiynoic acid (macrocarpic acid. Additionally, two new inactive acetylene compounds (α,α'-dimacro-carpoyl-β-oleylglycerol and α-macrocarpoyl-α'-oleylglycerol were also isolated from the hexane extract. The complete characterization of the isolated compounds was performed by analysis of NMR and MS data as well as preparation of derivatives.

  9. SMFs-supported Pd nanocatalysts in selective acetylene hydrogenation:Pore structure-dependent deactivation mechanism

    Institute of Scientific and Technical Information of China (English)

    Elaheh; Esmaeili; Ali; Morad; Rashidi; Yadollah; Mortazavi; Abbas; Ali; Khodadadi; Mehdi; Rashidzadeh

    2013-01-01

    In the present study,CNFs,ZnO and Al2O3 were deposited on the SMFs panels to investigate the deactivation mechanism of Pd-based catalysts in selective acetylene hydrogenation reaction.The examined supports were characterized by SEM,NH3-TPD and N2adsorption-desorption isotherms to indicate their intrinsic characteristics.Furthermore,in order to understand the mechanism of deactivation,the resulted green oil was characterized using FTIR and SIM DIS.FTIR results confirmed the presence of more unsaturated constituents and then,more branched hydrocarbons formed upon the reaction over alumina-supported catalyst in comparison with the ones supported on CNFs and ZnO,which in turn,could block the pores mouths.Besides the limited hydrogen transfer,N2 adsorption-desorption isotherms results supported that the lowest pore diameters of Al2O3/SMFs close to the surface led to fast deactivation,compared with the other catalysts,especially at higher temperatures.

  10. Conformations of propargyl alcohol and its interaction with acetylene: A matrix isolation infrared and DFT computations

    Science.gov (United States)

    Sundararajan, K.; Gopi, R.; Ramanathan, N.

    2016-10-01

    Conformations of propargyl alcohol (PA) were studied using matrix isolation infrared spectroscopy. DFT computations using 6-311++G(d,p) basis set on the PA molecule identified two minima; gauche (g-PA) and trans (t-PA). Comparison of infrared spectra of PA trapped in Ar, N2 and Xe matrices with computations showed the evidence of the ground state g-PA conformer. Four minima were optimized on the potential energy surface for the hydrogen-bonded interaction of g-PA and acetylene (C2H2), corresponding to complex A (Csbnd H⋯O), complex B (Osbnd H⋯π) and complex C and D (Csbnd H⋯π). The structure, energies and the vibrational wavenumbers were computed for these complexes at B3LYP/6-311++G (d,p) level of theory. The infrared spectra of the hydrogen-bonded complexes between C2H2 and g-PA were studied in Ar matrix. The infrared spectra recorded under matrix isolation conditions revealed the formation of two types of complexes A (Csbnd H⋯O) and B (Osbnd H⋯π). Formation of these complexes was evidenced from the shifts in the vibrational wavenumber of the modes involving the C2H2 and PA submolecules.

  11. Using Acetylene for Selective Catalytic Reduction of NO in Excess Oxygen

    Institute of Scientific and Technical Information of China (English)

    YU Shan-Shan; WANG Xin-Ping; WANG Chong; XU Yan

    2006-01-01

    Acetylene as a reducing agent for selective catalytic reduction of NO (C2H2-SCR) was investigated over a series of metal exchanged HY catalysts, in the reaction system of 0.16% NO, 0.08% C2H2, and 9.95% O2 (volume percent)in He. 75% of NO conversion to N2 with hydrocarbon efficiency about 1.5 was achieved over a Ce-HY catalyst around 300 ℃. The NO removal level was comparable with that of selective catalytic reduction of NOx by C3H6reported in literatures, although only one third of the reducing agent in carbon moles was used in the C2H2-SCR of NO. The protons in zeolite were crucial to the C2H2-SCR of NO, and the performance of HY in the reaction was significantly promoted by cerium incorporation into the zeolite. NO2 was proposed to be the intermediate of NO reduction to N2, and the oxidation of NO to NO2 was rate-determining step of the C2H2-SCR of NO over Ce-HY.The suggestion was well supported by the results of the NO oxidation with O2, and the C2H2 consumption under the conditions in the presence or absence of NO.

  12. Zwitterionic Surfactant Modified Acetylene Black Paste Electrode for Highly Facile and Sensitive Determination of Tetrabromobisphenol A

    Science.gov (United States)

    Wei, Xiaoyun; Zhao, Qiang; Wu, Weixiang; Zhou, Tong; Jiang, Shunli; Tong, Yeqing; Lu, Qing

    2016-01-01

    A electrochemical sensor for the highly sensitive detection of tetrabromobisphenol A (TBBPA) was fabricated based on acetylene black paste electrode (ABPE) modified with 3-(N,N-Dimethylpalmitylammonio) propanesulfonate (SB3-16) in this study. The peak current of TBBPA was significantly enhanced at SB3-16/ABPE compared with unmodified electrodes. To further improve the electrochemical performance of the modified electrode, corresponding experimental parameters such as the length of hydrophobic chains of zwitterionic surfactant, the concentration of SB3-16, pH value, and accumulation time were examined. The peak currents of TBBPA were found to be linearly correlated with its concentrations in the range of 1 nM to 1 µM, with a detection limit of 0.4 nM. Besides, a possible mechanism was also discussed, and the hydrophobic interaction between TBBPA and the surfactants was suggested to take a leading role in enhancing the responses. Finally, this sensor was successfully employed to detect TBBPA in water samples. PMID:27657078

  13. In situ acetylene reduction activity of Scytonema julianum in Vapor cave (Spain

    Directory of Open Access Journals (Sweden)

    Asencio Antonia Dolores

    2011-01-01

    Full Text Available Nitrogen fixation was measured in situ for the first time by acetylene reduction for a greyish mat composed of Scytonema julianum in cave- like environments. Mat-specific rates (129.9-215.7 nmol C2 H4 m-2 s-1 for daytime fixation and 65.1-120.6 nmol C2 H4 m-2 s-1 for nighttime fixation recorded in the Vapor cave differed considerably due to the energy reserves stored during photosynthesis being exhausted and used in the dark phase. The most influential environmental parameter for nitrogen fixation in the Vapor cave is temperature in the daytime and nighttime fixations. Nitrogen fixation by cyanobacteria may contribute considerably to the overall nitrogen cycle in harsh environments such as caves. Nitrogenase activity in Scytonema julianum was roughly 30 times higher than that of Scytonema mirabile, which also grew in cave environments, which is due to the characteristics of each site. The entrance of Vapour cave (Spain faces SE, measures 0.75 x 0.6 m and opens to shafts of a total depth of 80 m. Its dimensions and environmental conditions (relative humidity up to 100%; maximum temperature, 43oC imply that it is isolated from external influences, and that the microclimate differs substantially from that experienced externally. Nitrogen fixation, photon flux density, relative humidity and temperature in the Vapor cave were taken hourly over a 24-hour period in winter.

  14. Surface characterization of the interfaces from plasma-polymerized acetylene films deposited onto cold-rolled steel for rubber-to-metal bonding

    Science.gov (United States)

    Rosales Lombardi, Pablo I.

    The molecular structure of the interface between plasma-polymerized acetylene films and steel was determined using in-situ reflection-absorption infrared spectroscopy (RAIR) and X-ray photoelectron spectroscopy (XPS). Plasma-polymerized acetylene films were deposited onto polished steel substrates in microwave (MW) and radio frequency (RF)-powered reactors. The films deposited in RF-powered reactors were characterized in-situ using XPS and FTIR spectrometers that were interfaced directly to the reactors. RAIR showed that the plasma polymerized films contained large numbers of methyl and methylene groups but only a small number of monosubstituted acetylene groups, indicating that there was substantial rearrangement of the monomer molecules during plasma polymerization. The rearrangement of the monomer molecules during plasma was also determined by optical emission spectroscopy (OES), where CH and C2 species predominated in the optical emission spectra. Bands were observed near 1020 and 885 cm-1 in the RAIR spectra that were attributed to skeletal stretching vibrations in C-C-O-Fe groups, indicating that the plasma-polymerized films interacted with the substrate through formation of alkoxide bonds. Another band was observed near 1565 cm-1 and attributed to carboxylate groups in the interface between films and the oxidized surface of the substrate. Results from XPS also confirmed the formation of alkoxide and carboxylate groups in the interface during plasma polymerization of acetylene. Results from XPS showed that the surface of steel substrates consisted mostly of a mixture of Fe2O3 and FeOOH and that iron was mostly present in the Fe(III) oxidation state. However, during plasma-polymerization of acetylene, there was a tendency for the concentration of Fe(II) to increase, due to the reducing nature of argon/acetylene plasmas. Natural rubber reacted with plasma-polymerized acetylene primers through unsaturated functional groups present in the film. The RAIR and XPS

  15. Intramolecular competition between n-pair and π-pair hydrogen bonding: Microwave spectrum and internal dynamics of the pyridine–acetylene hydrogen-bonded complex

    International Nuclear Information System (INIS)

    a-type rotational spectra of the hydrogen-bonded complex formed from pyridine and acetylene are reported. Rotational and 14N hyperfine constants indicate that the complex is planar with an acetylenic hydrogen directed toward the nitrogen. However, unlike the complexes of pyridine with HCl and HBr, the acetylene moiety in HCCH—NC5H5 does not lie along the symmetry axis of the nitrogen lone pair, but rather, forms an average angle of 46° with the C2 axis of the pyridine. The a-type spectra of HCCH—NC5H5 and DCCD—NC5H5 are doubled, suggesting the existence of a low lying pair of tunneling states. This doubling persists in the spectra of HCCD—NC5H5, DCCH—NC5H5, indicating that the underlying motion does not involve interchange of the two hydrogens of the acetylene. Single 13C substitution in either the ortho- or meta-position of the pyridine eliminates the doubling and gives rise to separate sets of spectra that are well predicted by a bent geometry with the 13C on either the same side (“inner”) or the opposite side (“outer”) as the acetylene. High level ab initio calculations are presented which indicate a binding energy of 1.2 kcal/mol and a potential energy barrier of 44 cm−1 in the C2v configuration. Taken together, these results reveal a complex with a bent hydrogen bond and large amplitude rocking of the acetylene moiety. It is likely that the bent equilibrium structure arises from a competition between a weak hydrogen bond to the nitrogen (an n-pair hydrogen bond) and a secondary interaction between the ortho-hydrogens of the pyridine and the π electron density of the acetylene

  16. Oxy-acetylene driven laboratory scale shock tubes for studying blast wave effects.

    Science.gov (United States)

    Courtney, Amy C; Andrusiv, Lubov P; Courtney, Michael W

    2012-04-01

    This paper describes the development and characterization of modular, oxy-acetylene driven laboratory scale shock tubes. Such tools are needed to produce realistic blast waves in a laboratory setting. The pressure-time profiles measured at 1 MHz using high-speed piezoelectric pressure sensors have relevant durations and show a true shock front and exponential decay characteristic of free-field blast waves. Descriptions are included for shock tube diameters of 27-79 mm. A range of peak pressures from 204 kPa to 1187 kPa (with 0.5-5.6% standard error of the mean) were produced by selection of the driver section diameter and distance from the shock tube opening. The peak pressures varied predictably with distance from the shock tube opening while maintaining both a true blast wave profile and relevant pulse duration for distances up to about one diameter from the shock tube opening. This shock tube design provides a more realistic blast profile than current compression-driven shock tubes, and it does not have a large jet effect. In addition, operation does not require specialized personnel or facilities like most blast-driven shock tubes, which reduces operating costs and effort and permits greater throughput and accessibility. It is expected to be useful in assessing the response of various sensors to shock wave loading; assessing the reflection, transmission, and absorption properties of candidate armor materials; assessing material properties at high rates of loading; assessing the response of biological materials to shock wave exposure; and providing a means to validate numerical models of the interaction of shock waves with structures. All of these activities have been difficult to pursue in a laboratory setting due in part to lack of appropriate means to produce a realistic blast loading profile. PMID:22559580

  17. Concentration Dependence of Line Shapes in the ν_1 + ν_3 Band of Acetylene

    Science.gov (United States)

    Cich, Matthew; Forthomme, Damien; Hall, Gregory; McRaven, C.; Sears, Trevor

    2014-06-01

    Using an extended cavity diode laser locked to a frequency comb, the line shape of the P(11) line in the ν_1 + ν_3 combination band of acetylene has been studied as a function of varying concentration of the absorber in nitrogen. Mixture concentrations of 1, 5 and 10% at 296 K and pressures between a few Torr and one atmosphere were made and the measurements analyzed using two different speed-dependent broadening models. These experiments are designed to test the additivity of contributions to pressure broadening and shift in speed-dependent line shape modeling, i.e. whether the lineshape parameters follow partial pressure weighting in the binary mixtures. P(11) is relatively isolated with respect to underlying hot band transitions and neighboring transitions of the same band, but it was found that the accurate positions of underlying hot band transitions were crucial to the successful modeling of the observed line shapes, even though these lines are typically 100-1000 times weaker than P(11) itself and are many Doppler line widths removed from the line center. Positions of the hot band lines quoted in the HITRAN database, which are derived from the analysis of high resolution FTIR spectra, are of the order of 10's of MHz in error. In parallel work, we have measured the positions of many of these lines by saturation dip spectroscopy. Progress in the analysis of the data and the new saturation dip line center measurements will be reported. [1] C. P. McRaven, et al. Paper RI05, 68th International Symposium on Molecular Spectroscopy, 2013 Acknowledgments: Work at Brookhaven National Laboratory was carried out under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences.

  18. Double resonant absorption measurement of acetylene symmetric vibrational states probed with cavity ring down spectroscopy

    Science.gov (United States)

    Karhu, J.; Nauta, J.; Vainio, M.; Metsälä, M.; Hoekstra, S.; Halonen, L.

    2016-06-01

    A novel mid-infrared/near-infrared double resonant absorption setup for studying infrared-inactive vibrational states is presented. A strong vibrational transition in the mid-infrared region is excited using an idler beam from a singly resonant continuous-wave optical parametric oscillator, to populate an intermediate vibrational state. High output power of the optical parametric oscillator and the strength of the mid-infrared transition result in efficient population transfer to the intermediate state, which allows measuring secondary transitions from this state with a high signal-to-noise ratio. A secondary, near-infrared transition from the intermediate state is probed using cavity ring-down spectroscopy, which provides high sensitivity in this wavelength region. Due to the narrow linewidths of the excitation sources, the rovibrational lines of the secondary transition are measured with sub-Doppler resolution. The setup is used to access a previously unreported symmetric vibrational state of acetylene, ν 1 + ν 2 + ν 3 + ν4 1 + ν5 - 1 in the normal mode notation. Single-photon transitions to this state from the vibrational ground state are forbidden. Ten lines of the newly measured state are observed and fitted with the linear least-squares method to extract the band parameters. The vibrational term value was measured to be at 9775.0018(45) cm-1, the rotational parameter B was 1.162 222(37) cm-1, and the quartic centrifugal distortion parameter D was 3.998(62) × 10-6 cm-1, where the numbers in the parenthesis are one-standard errors in the least significant digits.

  19. Measurement of cardiac output during exercise by open-circuit acetylene uptake.

    Science.gov (United States)

    Barker, R C; Hopkins, S R; Kellogg, N; Olfert, I M; Brutsaert, T D; Gavin, T P; Entin, P L; Rice, A J; Wagner, P D

    1999-10-01

    Noninvasive measurement of cardiac output (QT) is problematic during heavy exercise. We report a new approach that avoids unpleasant rebreathing and resultant changes in alveolar PO(2) or PCO(2) by measuring short-term acetylene (C(2)H(2)) uptake by an open-circuit technique, with application of mass balance for the calculation of QT. The method assumes that alveolar and arterial C(2)H(2) pressures are the same, and we account for C(2)H(2) recirculation by extrapolating end-tidal C(2)H(2) back to breath 1 of the maneuver. We correct for incomplete gas mixing by using He in the inspired mixture. The maneuver involves switching the subject to air containing trace amounts of C(2)H(2) and He; ventilation and pressures of He, C(2)H(2), and CO(2) are measured continuously (the latter by mass spectrometer) for 20-25 breaths. Data from three subjects for whom multiple Fick O(2) measurements of QT were available showed that measurement of QT by the Fick method and by the C(2)H(2) technique was statistically similar from rest to 90% of maximal O(2) consumption (VO(2 max)). Data from 12 active women and 12 elite male athletes at rest and 90% of VO(2 max) fell on a single linear relationship, with O(2) consumption (VO(2)) predicting QT values of 9.13, 15.9, 22.6, and 29.4 l/min at VO(2) of 1, 2, 3, and 4 l/min. Mixed venous PO(2) predicted from C(2)H(2)-determined QT, measured VO(2), and arterial O(2) concentration was approximately 20-25 Torr at 90% of VO(2 max) during air breathing and 10-15 Torr during 13% O(2) breathing. This modification of previous gas uptake methods, to avoid rebreathing, produces reasonable data from rest to heavy exercise in normal subjects. PMID:10517785

  20. Infrared analysis of soot produced from an acetylene-rich flame

    Science.gov (United States)

    Pino, Thomas; Dartois, Emmanuel; Cao, Anh Tuan; D'Hendecourt, Louis; Bréchignac, Philippe

    The ubiquitous unidentified infrared emission bands (UIBs), now referred to as aromatic infrared bands (AIBs), observed from a variety of regions of interstellar space have been recognized to involve carbonaceous material with an aromatic character. It is now widely accepted that these interstellar "nanograins" should have sizes intermediate between those of the PAHs easily accessible to laboratory studies and of the "standard" interstellar grains (ca 0.05μm or 50 nm). The nanometer size is related to their capability of being transiently heated upon absorption of UV starlight photons. We will present the preliminary results obtained with a new experimental set-up, devoted to the formation of carbonaceous nanoparticles and the characterization of their spectral properties in absorption and in emission, in the solid phase and in the gas phase, isolated in a van der Waals matrix or free-flying. The production of the species uses laboratory techniques and conditioning under specific interstellar processes such as coupling a chemical reactor to stellar-like UV irradiation. We have used in particular an acetylene-rich, premixed and flat, low-pressure flame as a reactor. When operated under low-pressure conditions, the spatial development of the flame allows us to sample its content at various stages of the particles growth. The analysis can be made by transmission spectroscopy of thin film deposits under infrared microscope or in rare gas matrices under FTIR spectroscopy, and by Time-Of-Flight mass spectrometry. The preliminary results reveal a strong evolution from aromatic materials containing aliphatic substituents to large polymer-like soot particules. The spectrum in Figure 1 is that of a deposition taken from a sooting flame at a C/O=2, burning at a pressure of 26.5mb, and sampled at 12mm from the flat burner. A tentative assignment is given.

  1. Selective hydrogenation of acetylene on SiO2 supported Ni-In bimetallic catalysts: Promotional effect of In

    Science.gov (United States)

    Chen, Yanjun; Chen, Jixiang

    2016-11-01

    Ni/SiO2 and the bimetallic NixIn/SiO2 catalysts with different Ni/In ratios were tested for the selective hydrogenation of acetylene, and their physicochemical properties before and after the reaction were characterized by means of N2-sorption, H2-TPR, XRD, TEM, XPS, H2 chemisorption, C2H4-TPD, NH3-TPD, FT-IR of adsorbed pyridine, and TG/DTA and Raman. A promotional effect of In on the performance of Ni/SiO2 was found, and NixIn/SiO2 with a suitable Ni/In ratio gave much higher acetylene conversion, ethylene selectivity and catalyst stability than Ni/SiO2. This is ascribed to the geometrical isolation of the reactive Ni atoms with the inert In ones and the charge transfer from the In atoms to Ni ones, both of which are favorable for reducing the adsorption strength of ethylene and restraining the Csbnd C hydrogenolysis and the polymerizations of acetylene and the intermediate compounds. On the whole, Ni6In/SiO2 and Ni10In/SiO2 had better performance. Nevertheless, with increasing the In content, the selectivity to the C4+ hydrocarbons tended to increase due to the enhanced catalyst acidity because of the charge transfer from the In atoms to Ni ones. As the Lewis acid ones, the In sites could promote the polymerization. The catalyst deactivation was also analyzed. We propose that the Ni/SiO2 deactivation is mainly attributed to the phase change from metallic Ni to nickel carbide. The introduction of In inhibited the formation of nickel carbide. However, as the In content increased, the carbonaceous deposit became the main reason for the NixIn/SiO2 deactivation due to the enhanced catalyst acidity.

  2. Acetylene hydratase: a non-redox enzyme with tungsten and iron-sulfur centers at the active site.

    Science.gov (United States)

    Kroneck, Peter M H

    2016-03-01

    In living systems, tungsten is exclusively found in microbial enzymes coordinated by the pyranopterin cofactor, with additional metal coordination provided by oxygen and/or sulfur, and/or selenium atoms in diverse arrangements. Prominent examples are formate dehydrogenase, formylmethanofuran dehydrogenase, and aldehyde oxidoreductase all of which catalyze redox reactions. The bacterial enzyme acetylene hydratase (AH) stands out of its class as it catalyzes the conversion of acetylene to acetaldehyde, clearly a non-redox reaction and a reaction distinct from the reduction of acetylene to ethylene by nitrogenase. AH harbors two pyranopterins bound to W, and a [4Fe-4S] cluster. W is coordinated by four dithiolene sulfur atoms, one cysteine sulfur, and one oxygen ligand. AH activity requires a strong reductant suggesting W(IV) as the active oxidation state. Two different types of reaction pathways have been proposed. The 1.26 Å structure reveals a water molecule coordinated to W which could gain a partially positive net charge by the adjacent protonated Asp-13, enabling a direct attack of C2H2. To access the W-Asp site, a substrate channel was evolved distant from where it is found in other members of the DMSOR family. Computational studies of this second shell mechanism led to unrealistically high energy barriers, and alternative pathways were proposed where C2H2 binds directly to W. The architecture of the catalytic cavity, the specificity for C2H2 and the results from site-directed mutagenesis do not support this first shell mechanism. More investigations including structural information on the binding of C2H2 are needed to present a conclusive answer. PMID:26790879

  3. Morphology of carbon nanotubes prepared via chemical vapour deposition technique using acetylene: A small angle neutron scattering investigation

    Indian Academy of Sciences (India)

    D Sen; K Dasgupta; J Bahadur; S Mazumder; D Sathiyamoorthy

    2008-11-01

    Small angle neutron scattering (SANS) has been utilized to study the morphology of the multi-walled carbon nanotubes prepared by chemical vapour deposition of acetylene. The effects of various synthesis parameters like temperature, catalyst concentration and catalyst support on the size distribution of the nanotubes are investigated. Distribution of nanotube radii in two length scales has been observed. The number density of the smaller diameter tubes was found more in number compared to the bigger one for all the cases studied. No prominent scaling of the structure factor was observed for the different synthesis conditions.

  4. Measurement of ethylene and methane production in a temperate forest soil using inhibition of acetylene and carbon monoxide

    Institute of Scientific and Technical Information of China (English)

    XU XingKai; INUBUSHI Kazuyuki

    2008-01-01

    We studied in the laboratory the effects of acetylene (C2H2) concentrations on the accumulation and consumption of ethylene and methane in a temperate pine forest soil, and in situ ethylene and methane production and flush effects of nitrogen sources on both productions in the pine forest stand (Pinus sylvestris L.). The addition of C2H2 at concentrations more than 50 Pa C2H2 in the headspace caused a more than 95% reduction in rates of ethylene and methane consumption in forest soil compared to those with no C2H2. Furthermore, addition of acetylene within a range of 50 to 10, 000 Pa C2H2 induced a similar rate of methane accumulation in forest soil. Hence, it can be concluded that presence of more than 50 Pa C2H2 in the headspace is an effective method to measure methane production in forest soil. The addition of C2H2 at concentrations more than 50 Pa C2H2 induced an increasing concentration of ethylene in the headspace (P≤0.05), indicating the reduction of acetylene to ethylene in forest soil. Using inhibition of 0.5 kPa C2H2 in combination with 5 kPa carbon monoxide that inhibits the reduction of acetylene in a short term, it was observed that there was a larger in situ methane production rate (218±26 μg C m-2 h-1 (μg C per square meter per hour, the same below)) than in situethylene produc-tion rate (92 ± 6 μg C m-2 h-1) in the pine forest soil. The addition of nitrogen sources such as urea, urea plus a nitrification inhibitor dicyandiamide, and potassium nitrate, could induce a 5-fold greater in-crease in rates of in situ ethylene and methane production compared to those in the control, particu-larly in the latter (P≤0.05). The results can promote in situ measurement of ethylene and methane production in forest soils at different sites.

  5. Designing supported palladium-on-gold bimetallic nano-catalysts for controlled hydrogenation of acetylene in large excess of ethylene

    Science.gov (United States)

    Malla, Pavani

    Ethylene is used as a starting point for many chemical intermediates in the petrochemical industry. It is predominantly produced through steam cracking of higher hydrocarbons (ethane, propane, butane, naphtha, and gas oil). During the cracking process, a small amount of acetylene is produced as a side product. However, acetylene must be removed since it acts as a poison for ethylene polymerization catalysts at even ppm concentrations (>5 ppm). Thus, the selective hydrogenation of acetylene to ethylene is an important process for the purification of ethylene. Conventional, low weight loading Pd catalysts are used for this selective reaction in high concentration ethylene streams. Gold was initially considered to be catalytically inactive for a long time. This changed when gold was seen in the context of the nanometric scale, which has indeed shown it to have excellent catalytic activity as a homogeneous or a heterogeneous catalyst. Gold is proved to have high selectivity to ethylene but poor at conversion. Bimetallic Au and Pd catalysts have exhibited superior activity as compared to Pd particles in semi-hydrogenation. Hydrogenation of acetylene was tested using this bimetallic combination. The Pd-on-Au bimetallic catalyst structure provides a new synthesis approach in improving the catalytic properties of monometallic Pd materials. TiO 2 as a support material and 0.05%Pd loading on 1%Au on titania support and used different treatment methods like washing plasma and reduction between the two metal loadings and was observed under 2:1 ratio. In my study there were two set of catalysts which were prepared by a modified incipient wetness impregnation technique. Out of all the reaction condition the catalyst which was reduced after impregnating gold and then impregnating palladium which was further treated in non-thermal hydrogen plasma and then pretreated in hydrogen till 250°C for 1 hour produced the best activity of 76% yield at 225°C. Stability tests were conducted

  6. Nuclear magnetic resonance study of the structure of simple molecules adsorbed on metal surfaces: acetylene on platinum

    International Nuclear Information System (INIS)

    We have used NMR to determine the structure of acetylene (HC - CH) adsorbed at room temperature on small platinum particles by studying the 13C-13C, 13C-1H, and 1H-1H dipolar interactions among the nuclei in the adsorbed molecules. We find a model of 77% CCH2 and 23% HCCH to be the only one consistent with all of our data. The C-C bond length of the majority species, CCH2, is determined as 1.44 +- 0.02 A, midway between a single and double bond, suggesting that both carbon atoms bond to the surface. 36 references, 29 figures, 1 table

  7. El cieno de acetileno como tratamiento de la tricofitosis de los terneros-(Acetylene mud as tricophytosis treatment in calves.

    Directory of Open Access Journals (Sweden)

    Hernández Barreto, Miguel A

    2011-04-01

    Full Text Available ResumenLa tricofitosis es una enfermedad micótica que afecta a numerosas especies animales, incluyendo al hombre. Los tratamientos utilizados para combatir esta entidad son numerosos e incluyen antimicóticos, vacunas y desinfectantes.SummaryTricophytosis is a mycotic disease that affects numerous animal species, including man. The treatments used to combat this entity are numerous and include antimycotics, vaccines and disinfectants. In our work we use acetylene mud paste made from waste carbide (industrial residual as topical treatment in dermatomycoses lesions in calves (group I, study, comparing the results with cooper sulfate dissolution 22% (group II, control.

  8. Upconversion enhanced degenerate four-wave mixing in the mid-infrared for sensitive detection of acetylene in gas flows

    DEFF Research Database (Denmark)

    Høgstedt, Lasse; Dam, Jeppe Seidelin; Sahlberg, Anna-Lena;

    2014-01-01

    We present a new background free method for in situ gas detection that combines degenerate four-wave mixing with an infra-red light detector based on parametric frequency upconversion of infra-red light. The system is demonstrated at mid infrared wavelengths for low concentration measurements...... of acetylene diluted in a N2 gas flow at ambient conditions. It is demonstrated that the system is able to cover more than 100 nm in scanning range and detect concentrations as low as 3 ppm based on the R9e line. A major issue in small signal measurements is scattered light and it is showed how a spatial...

  9. Temperature dependence of corrosion inhibition of steels used in oil well stimulation using acetylenic compound and halide ion salt mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Menezes, M.A.M. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Escola de Quimica], E-mail: marcom@eq.ufrj.br; Valle, M.L.M. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Escola de Quimica. Dept. de Processos Organicos; Dweck, J. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Escola de Quimica. Dept. de Processos Inorganicos; Queiroz Neto, J.C. [Petroleo Brasileiro S.A. (CENPES / PETROBRAS), Rio de Janeiro, RJ (Brazil). Centro de Pesquisas

    2007-07-15

    Halogenated salt (HS)-acetylenic compound (AC) mixtures were tested as corrosion inhibitors of 13Cr and 22Cr stainless steel and N80 and P110 carbon steel when exposed to 15 wt.% HCl solutions, at 50 deg C, 80 deg C and 100 deg C. The best corrosion inhibition efficiency is obtained when the concentration of both AC and HS is 1.5 wt. %, which indicates the use of all tested steels in oil well stimulation operated at 50 deg C and the use of 13Cr, N80 and P110 steels in oil well processing temperatures up to 100 deg C. (author)

  10. The electronic structure and second-order nonlinear optical properties of donor-acceptor acetylenes - A detailed investigation of structure-property relationships

    Science.gov (United States)

    Stiegman, A. E.; Graham, Eva; Khundkar, Lutfur R.; Perry, Joseph W.; Cheng, L.-T.; Perry, Kelly J.

    1991-01-01

    A series of donor-acceptor acetylene compounds was synthesized in which systematic changes in both the conjugation length and the donor-acceptor strength were made. The effect of these structural changes on the spectroscopic and electronic properties of the molecules and, ultimately, on the measured second-order molecular hyperpolarizabilities (beta) was investigated. It was found that increases in the donor-acceptor strength resulted in increases in the magnitude of beta. For this class of molecules, the increase is dominated by the energy of the intramolecular charge-transfer transition, while factors such as the ground to excited-state dipole moment change and the transition-moment integral are much less important. Increasing the conjugation length from one to two acetylene linkers did not result in an increase in the value of beta; however, beta increased sharply in going from two acetylenes to three. This increase is attributed to the superposition of several nearly isoenergetic excited states.

  11. HYDROESTERIFICATION OF ACETYLENE WITH METHYL FORMATE TO METHYL ACRYLATE OVER A NiO/Al203 CATALYST: EFFECTS OF NiO LOADING AND CALCINATION TEMPERATURE

    Institute of Scientific and Technical Information of China (English)

    Huang Xinhan; Yang Xiangui; Zhang Jiaqi; Liu Zhaotie

    2001-01-01

    Hydroesterification of acetylene with methyl formate (MF) was studied over a series of nickel-supported catalysts with NiO loading varing from 0.8 wt% to 18.7 wt% and calcination temperature ranging from 623 K to 873 K. The catalyst was studied by TPR, XPS, XRD and BET. The interactions between impregnated Ni2+ and alumina during catalyst preparation produced different kinds of nickel species such as NiO crystallites and NiAl2O4-like species, and their distributions varied with NiO loading and calcination temperature, which leads to different activities of catalyst in hydroesterification of acetylene with methyl formate. Experimental results indicated that 10wt% NiO/Al2O3 calcined at 773 K is suitable for the hydroesterification of acetylene with methyl formate.

  12. Laboratory studies, analysis, and interpretation of the spectra of hydrocarbons present in planetary atmospheres including cyanoacetylene, acetylene, propane, and ethane

    Science.gov (United States)

    Blass, William E.; Daunt, Stephen J.; Peters, Antoni V.; Weber, Mark C.

    1990-01-01

    Combining broadband Fourier transform spectrometers (FTS) from the McMath facility at NSO and from NRC in Ottawa and narrow band TDL data from the laboratories with computational physics techniques has produced a broad range of results for the study of planetary atmospheres. Motivation for the effort flows from the Voyager/IRIS observations and the needs of Voyager analysis for laboratory results. In addition, anticipation of the Cassini mission adds incentive to pursue studies of observed and potentially observable constituents of planetary atmospheres. Current studies include cyanoacetylene, acetylene, propane, and ethane. Particular attention is devoted to cyanoacetylen (H3CN) which is observed in the atmosphere of Titan. The results of a high resolution infrared laboratory study of the line positions of the 663, 449, and 22.5/cm fundamental bands are presented. Line position, reproducible to better than 5 MHz for the first two bands, are available for infrared astrophysical searches. Intensity and broadening studies are in progress. Acetylene is a nearly ubiquitous atmospheric constituent of the outer planets and Titan due to the nature of methane photochemistry. Results of ambient temperature absolute intensity measurements are presented for the fundamental and two two-quantum hotband in the 730/cm region. Low temperature hotband intensity and linewidth measurements are planned.

  13. Effects of acetylene flow rate and processing temperature on graphene films grown by thermal chemical vapor deposition

    International Nuclear Information System (INIS)

    We used thermal chemical vapor deposition (CVD) to synthesize few-layer graphene (FLG) films at a low temperature (600 °C). The FLG films were synthesized on Ni foils using a gaseous mixture of various ratios of H2 to acetylene (C2H2). We investigated that the effects of C2H2 flow on the structural properties of graphene. The quality of low-temperature CVD FLG films was investigated by Raman spectroscopy, field-emission scanning electron microscopy, and high-resolution transmission electron microscopy. The results of Raman spectroscopy revealed that C2H2 flux clearly influences the features of FLG films. To enhance the quality of FLG films grown by low-temperature CVD, the films were grown under various gas flow ratios. The results demonstrated that the common thermal CVD method that uses C2H2 as a supplemental carbon source constitutes a low-cost and easy way to synthesize graphene films at low temperature for graphene-based applications. - Highlights: • We synthesized the graphene on nickel foil by thermal CVD method. • The graphene was successfully synthesized at a low temperature of 600 °C. • The acetylene flows were controlled to enhance the quality of graphene

  14. The Effect of Surface Finish on Low-Temperature Acetylene-Based Carburization of 316L Austenitic Stainless Steel

    Science.gov (United States)

    Ge, Yindong; Ernst, Frank; Kahn, Harold; Heuer, Arthur H.

    2014-12-01

    We observed a strong influence of surface finish on the efficacy of low-temperature acetylene-based carburization of AISI 316L austenitic stainless steel. Steel coupons were prepared with different surface finishes prior to carburization, from P400 SiC grit paper to 1- µm-diameter-diamond-paste. The samples with the finer surface finish developed a thicker "case" (a carbon-rich hardened surface layer) and a larger surface carbon concentration. Transmission electron microscopy revealed that the differences arose mainly from the nature of the deformation-induced disturbed layer on the steel surface. A thick (>400 nm) disturbed layer consisting of nano-crystalline grains (≈10 nm diameter) inhibits acetylene-based carburization. The experimental observations can be explained by assuming that during machining or coarse polishing, the surface oxide layer is broken up and becomes incorporated into the deformation-induced disturbed layer. The incorporated oxide-rich films retard or completely prevent the ingress of carbon into the stainless steel.

  15. The role of tin-promoted Pd/MWNTs via the management of carbonaceous species in selective hydrogenation of high concentration acetylene

    Science.gov (United States)

    Esmaeili, Elaheh; Mortazavi, Yadollah; Khodadadi, Abbas Ali; Rashidi, Ali Morad; Rashidzadeh, Mehdi

    2012-12-01

    In the present study, Pd/MWNTs are synthesized using polyol process and modified by tin as a promoter for selective hydrogenation of high concentrated acetylene feedstock. Polyol method results in highly dispersed nanoparticles with a depletion of particle size for tin-promoted Pd catalysts as characterized by TEM. Tin promoter plays a considerable role in hydrogenation of pure acetylene stream. This is attributed to formation of Pd2Sn structural phase, confirmed by XRD and TPR techniques, composed mainly of intermetallic species. Catalytic behavior of tin-promoted Pd catalysts is affected by geometric and electronic factors which are more pronounced in the case of Sn/Pd = 0.25. A discontinuity in Arrhenius plots for the Sn-promoted catalysts is appeared, which seems to be due to a kinetic factor as a result of change in acetylene coverage on Pd metallic ensembles at low and high temperature ranges. Higher selectivity of the catalysts to ethylene is attributed to the presence of more isolated adsorption sites on the catalyst surface originated from both intermetallic compounds confirmed by XPS and the ones formed via the carbonaceous species upon the acetylene hydrogenation reaction.

  16. Intramolecular competition between n-pair and π-pair hydrogen bonding: Microwave spectrum and internal dynamics of the pyridine–acetylene hydrogen-bonded complex

    Energy Technology Data Exchange (ETDEWEB)

    Mackenzie, Rebecca B.; Dewberry, Christopher T.; Leopold, Kenneth R., E-mail: A.C.Legon@bristol.ac.uk, E-mail: david.tew@bristol.ac.uk, E-mail: kleopold@umn.edu [Department of Chemistry, University of Minnesota, 207 Pleasant St., SE, Minneapolis, Minnesota 55455 (United States); Coulston, Emma; Cole, George C. [Department of Chemistry, University of Exeter, Stocker Road, Exeter EX4 4QD (United Kingdom); Legon, Anthony C., E-mail: A.C.Legon@bristol.ac.uk, E-mail: david.tew@bristol.ac.uk, E-mail: kleopold@umn.edu; Tew, David P., E-mail: A.C.Legon@bristol.ac.uk, E-mail: david.tew@bristol.ac.uk, E-mail: kleopold@umn.edu [Department of Chemistry, School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS (United Kingdom)

    2015-09-14

    a-type rotational spectra of the hydrogen-bonded complex formed from pyridine and acetylene are reported. Rotational and {sup 14}N hyperfine constants indicate that the complex is planar with an acetylenic hydrogen directed toward the nitrogen. However, unlike the complexes of pyridine with HCl and HBr, the acetylene moiety in HCCH—NC{sub 5}H{sub 5} does not lie along the symmetry axis of the nitrogen lone pair, but rather, forms an average angle of 46° with the C{sub 2} axis of the pyridine. The a-type spectra of HCCH—NC{sub 5}H{sub 5} and DCCD—NC{sub 5}H{sub 5} are doubled, suggesting the existence of a low lying pair of tunneling states. This doubling persists in the spectra of HCCD—NC{sub 5}H{sub 5}, DCCH—NC{sub 5}H{sub 5}, indicating that the underlying motion does not involve interchange of the two hydrogens of the acetylene. Single {sup 13}C substitution in either the ortho- or meta-position of the pyridine eliminates the doubling and gives rise to separate sets of spectra that are well predicted by a bent geometry with the {sup 13}C on either the same side (“inner”) or the opposite side (“outer”) as the acetylene. High level ab initio calculations are presented which indicate a binding energy of 1.2 kcal/mol and a potential energy barrier of 44 cm{sup −1} in the C{sub 2v} configuration. Taken together, these results reveal a complex with a bent hydrogen bond and large amplitude rocking of the acetylene moiety. It is likely that the bent equilibrium structure arises from a competition between a weak hydrogen bond to the nitrogen (an n-pair hydrogen bond) and a secondary interaction between the ortho-hydrogens of the pyridine and the π electron density of the acetylene.

  17. Wavelength modulation spectroscopy at 1530.32 nm for measurements of acetylene based on Fabry-Perot tunable filter

    Science.gov (United States)

    Yun-Long, Li; Bing-Chu, Yang; Xue-Mei, Xu

    2016-02-01

    Sensitive detection of acetylene (C2H2) is performed by absorption spectroscopy and wavelength modulation spectroscopy (WMS) based on Fiber Fabry-Perot tunable filter (FFP-TF) at 1530.32 nm. After being calibrated by Fiber Bragg Grating (FBG), FFP-TF is frequency-multiplexed and modulated at 20 Hz and 2.5 kHz respectively to achieve wavelength modulation. The linearity with 0.9907 fitting coefficient is obtained by measuring different concentrations in a 100 ppmv-400 ppmv range. Furthermore, the stability of the system is analyzed by detecting 50 ppmv and 100 ppmv standard gases for 2 h under room temperature and ambient pressure conditions respectively. The precision of 11 ppmv is achieved by calculating the standard deviation. Therefore, the measuring system of C2H2 detection can be applied in practical applications. Project supported by the National Natural Science Foundation of China (Grant Nos. 61172047 and 61071025).

  18. The Breathing Orbital Valence Bond Method in Diffusion Monte Carlo: C-H Bond Dissociation ofAcetylene

    Energy Technology Data Exchange (ETDEWEB)

    Domin, D.; Braida, Benoit; Lester Jr., William A.

    2008-05-30

    This study explores the use of breathing orbital valence bond (BOVB) trial wave functions for diffusion Monte Carlo (DMC). The approach is applied to the computation of the carbon-hydrogen (C-H) bond dissociation energy (BDE) of acetylene. DMC with BOVB trial wave functions yields a C-H BDE of 132.4 {+-} 0.9 kcal/mol, which is in excellent accord with the recommended experimental value of 132.8 {+-} 0.7 kcal/mol. These values are to be compared with DMC results obtained with single determinant trial wave functions, using Hartree-Fock orbitals (137.5 {+-} 0.5 kcal/mol) and local spin density (LDA) Kohn-Sham orbitals (135.6 {+-} 0.5 kcal/mol).

  19. Denitrification rate determined by nitrate disapperance is higher than determined by nitrous oxide production with acetylene blockage

    DEFF Research Database (Denmark)

    Yu, Kewei; Struwe, Sten; Kjøller, Annelise;

    2008-01-01

    A mixed beech and spruce forest soil was incubated under potential denitrification assay (PDA) condition with 10% acetylene (C2H2) in the headspace of soil slurry bottles. Nitrous oxide (N2O) concentration in the headspace, as well as nitrate, nitrite and ammonium concentrations in the soil...... different treatments. Commonly applied PDA measurement likely underestimates the nitrate removal capacity of a system. Incubation time and organic matter/nitrate ratio are the most critical factors to consider using C2H2 inhibition technique to quantify denitrification. By comparing the treatments with and...... slurries were monitored during the incubation. Results show that nitrate disappearance rate was higher than N2O production rate with C2H2 blockage during the incubation. Sum of nitrate, nitrite, and N2O with C2H2 blockage could not recover the original soil nitrate content, showing an N imbalance in such a...

  20. Mid-Infrared Pumped Laser-Induced Thermal Grating Spectroscopy for Detection of Acetylene in the Visible Spectral Range.

    Science.gov (United States)

    Sahlberg, Anna-Lena; Kiefer, Johannes; Aldén, Marcus; Li, Zhongshan

    2016-06-01

    We present mid-infrared laser-induced thermal grating spectroscopy (IR-LITGS) using excitation radiation around 3 µm generated by a simple broadband optical parametric oscillator (OPO). Acetylene as a typical small hydrocarbon molecule is used as an example target species. A mid-infrared broadband OPO pumped by the fundamental output of a neodymium-doped yttrium aluminum garnet (Nd:YAG) laser was used to generate the pump beams, with pulse energies of 6-10 mJ depending on the wavelength. The line width of the OPO idler beam was ∼5 cm(-1), which is large enough to cover up to six adjacent acetylene lines. The probe beam was the radiation of a 532 nm cw solid state laser with 190 mW output power. Signals were generated in atmospheric pressure gas flows of N2, air, CO2 and Ar with small admixtures of C2H2 A detection limit of less than 300 ppm was found for a point measurement of C2H2 diluted in N2 As expected, the oscillation frequency of the IR-LITGS signal was found to have a large dependency on the buffer gas, which allows determination of the speed of sound. Moreover, the results reveal a very strong collisional energy exchange between C2H2 and CO2 compared to the other gases. This manifests as significant local heating. In summary, the MIR-LITGS technique enables spectroscopy of fundamental vibrational transitions in the infrared via detection in the visible spectral range. PMID:27091904

  1. Fabrication and Characterization of Nanocarbon-Based Nanofluids by Using an Oxygen-Acetylene Flame Synthesis System

    Science.gov (United States)

    Teng, Tun-Ping; Wang, Wei-Ping; Hsu, Yu-Chun

    2016-06-01

    In this study, an oxygen-acetylene flame synthesis system was developed to fabricate nanocarbon-based nanofluids (NCBNFs) through a one-step synthesis method. Measured in liters per minute (LPM), the flame's fuel flows combined oxygen and acetylene at four ratios: 1.5/2.5 (P1), 1.0/2.5 (P2), 0.5/2.5 (P3), and 0/2.5 (P4). The flow rate of cooling water (base fluid) was fixed at 1.2 LPM to produce different nanocarbon-based materials (NCBMs) and various concentrations of NCBNFs. Tests and analyses were conducted for determining the morphology of NCBMs, NCBM material, optical characteristics, the production rate, suspension performance, average particle size, zeta potential, and other relevant basic characteristics of NCBNFs to understand the characteristics and materials of NCBNFs produced through different process parameters (P1-P4). The results revealed that the NCBMs mainly had flaky and spherical morphologies and the diameters of the spherical NCBMs measured approximately 20-30 nm. X-ray diffraction and Raman spectroscopy revealed that the NCBMs contained graphene oxide (GO) and amorphous carbon (AC) when the oxygen flow rate was lower than 1.0 LPM. In addition, the NCBMs contained reduced GO, crystalline graphite (graphite-2H), and AC when the oxygen flow rate was higher than 1.0 LPM. The process parameters of P1, P2, P3, and P4 resulted in NCBMs produced at concentrations of 0.010, 0.013, 0.040, and 0.023 wt%, respectively, in NCBNFs. All the NCBNFs exhibited non-Newtonian and shear-thinning rheological properties. The P4 ratio showed the highest enhancement rate of thermal conductivity for NCBNFs, at a rate 4.85 % higher than that of water.

  2. Fabrication and Characterization of Nanocarbon-Based Nanofluids by Using an Oxygen-Acetylene Flame Synthesis System.

    Science.gov (United States)

    Teng, Tun-Ping; Wang, Wei-Ping; Hsu, Yu-Chun

    2016-12-01

    In this study, an oxygen-acetylene flame synthesis system was developed to fabricate nanocarbon-based nanofluids (NCBNFs) through a one-step synthesis method. Measured in liters per minute (LPM), the flame's fuel flows combined oxygen and acetylene at four ratios: 1.5/2.5 (P1), 1.0/2.5 (P2), 0.5/2.5 (P3), and 0/2.5 (P4). The flow rate of cooling water (base fluid) was fixed at 1.2 LPM to produce different nanocarbon-based materials (NCBMs) and various concentrations of NCBNFs. Tests and analyses were conducted for determining the morphology of NCBMs, NCBM material, optical characteristics, the production rate, suspension performance, average particle size, zeta potential, and other relevant basic characteristics of NCBNFs to understand the characteristics and materials of NCBNFs produced through different process parameters (P1-P4). The results revealed that the NCBMs mainly had flaky and spherical morphologies and the diameters of the spherical NCBMs measured approximately 20-30 nm. X-ray diffraction and Raman spectroscopy revealed that the NCBMs contained graphene oxide (GO) and amorphous carbon (AC) when the oxygen flow rate was lower than 1.0 LPM. In addition, the NCBMs contained reduced GO, crystalline graphite (graphite-2H), and AC when the oxygen flow rate was higher than 1.0 LPM. The process parameters of P1, P2, P3, and P4 resulted in NCBMs produced at concentrations of 0.010, 0.013, 0.040, and 0.023 wt%, respectively, in NCBNFs. All the NCBNFs exhibited non-Newtonian and shear-thinning rheological properties. The P4 ratio showed the highest enhancement rate of thermal conductivity for NCBNFs, at a rate 4.85 % higher than that of water. PMID:27295256

  3. Recent Line-Shape and Doppler Thermometry Studies Involving Transitions in the ν1 +ν3 Band of Acetylene

    Science.gov (United States)

    Hashemi, Robab; Rozario, Hoimonti; Povey, Chad; Garber, Jolene; Derksen, Mark; Predoi-Cross, Adriana

    2014-06-01

    The line positions for transitions in the ν1 +ν3 band are often used as a frequency standard by the telecom industry and also needed for planetary atmospheric studies. Four relevant studies have been recently carried out in our group and will be discussed briefly below. (1) N2-broadened line widths and N2-pressure induced line shifts have been measured for transitions in the ν1 +ν3 band of acetylene at seven temperatures in the range 213333K to obtain the temperature dependences of broadening and shift coefficients. The Voigt and hard-collision line profile models were used to retrieve the line parameters. This study has been published in Molecular Physics, 110 Issue 21/22 (2012) 2645-2663. (2) Six nitrogen perturbed transitions of acetylene within the ν1 +ν3 absorption band have been recorded using a 3-channel diode laser spectrometer. We have examined C2H2 spectra using a hard collision (Rautian) profile over a range of five temperatures (213 K-333 K). From these fits we have obtained the N2-broadening and narrowing coefficients of C2H2 and examined their temperature dependence. The experimentally measured narrowing coefficients have been used to estimate the nitrogen diffusion coefficients. The broadening coefficients and corresponding temperature dependence exponents have also been compared to that of calculations completed using a classical impact approach on an ab initio potential energy surface. We have observed a good agreement between our theoretical and experimental results. This study was published in Canadian Journal of Physics 91(11) 896-905 (2013). (3) An extension of the previous study was to analyze the room temperature for the same six transitions using the Voigt, Rautian, Galatry, RautianGalatry and Correlated Rautian profiles. For the entire pressure range, we have tested the applicability of these line-shape models. Except for Voigt profile, Dicke narrowing effect has been considered in all mentioned line-shape models. The experimental

  4. Effect of Au nano-particle aggregation on the deactivation of the AuCl3/AC catalyst for acetylene hydrochlorination.

    Science.gov (United States)

    Dai, Bin; Wang, Qinqin; Yu, Feng; Zhu, Mingyuan

    2015-01-01

    A detailed study of the valence state and distribution of the AuCl3/AC catalyst during the acetylene hydrochlorination deactivation process is described and discussed. Temperature-programmed reduction and X-ray photoelectron spectral analysis indicate that the active Au(3+) reduction to metallic Au(0) is one reason for the deactivation of AuCl3/AC catalyst. Transmission electron microscopy characterization demonstrated that the particle size of Au nano-particles increases with increasing reaction time. The results indicated that metallic Au(0) exhibits considerable catalytic activity and that Au nano-particle aggregation may be another reason for the AuCl3/AC catalytic activity in acetylene hydrochlorination. PMID:25994222

  5. Measurements of linestrengths, N2-, Ar-, He- and self-broadening coefficients of acetylene in the ν4+ν5 combination band using a cw quantum cascade laser

    KAUST Repository

    Sajid, Muhammad Bilal

    2014-11-01

    Linestrengths, N2-, Ar-, He- and self-broadening coefficients of acetylene have been measured at 296K in the P branch of the ν4+ν5 combination band for 25 rotational transitions. The effect of gas temperature is studied over 296-683K for five transitions to allow the determination of the temperature dependent exponent n for N2- and Ar-broadening coefficients. These measurements were performed using a continuous-wave quantum cascade laser (cw-QCL) operating over 1253-1310cm-1. Spectroscopic parameters were obtained by fitting absorption spectra using Voigt, Galatry and Rautian profiles. Linestrength and broadening results are compared with previous studies available in literature for the ν4+ν5 combination band and other vibrational bands of acetylene. © 2014 Elsevier Ltd.

  6. Xe-bearing hydrocarbon ions: Observation of Xe.acetylene+rad and Xe.benzene+rad radical cations and calculations of their ground state structures

    Science.gov (United States)

    Cui, Zhong-hua; Attah, Isaac K.; Platt, Sean P.; Aziz, Saadullah G.; Kertesz, Miklos; El-Shall, M. S.

    2016-04-01

    This work reports evidence for novel types of Xe-bearing hydrocarbon radical cations. The Xe.acetylene+rad radical cation adduct is observed at nearly room temperature using the mass-selected drift cell technique. The irreversible addition of the Xe atom and the lack of back dissociation to HCCH+rad + Xe is consistent with the calculated binding energy of 0.85 eV to be contrasted with the metastable nature of the neutral Xe.acetylene adduct. The observed Xe.benzene+rad radical cation appears to be a weakly bound complex stabilized mainly by ion-induced dipole interaction consistent with a calculated binding energy in the range of 0.14-0.17 eV.

  7. Observation of Coriolis Coupling between nu(2) + 4nu(4) and 7nu(4) in Acetylene &Xtilde;(1)Sigma(+)(g) by Stimulated Emission Pumping Spectroscopy.

    Science.gov (United States)

    Moss; Duan; Jacobson; O'Brien; Field

    2000-02-01

    Stimulated emission pumping (SEP) spectroscopy has been used to examine a low energy region (E(vib) approximately 4400 cm(-1)) of &Xtilde;(1)Sigma(+)(g) acetylene at higher resolution than was possible in previous dispersed fluorescence studies. The expected bright state, nu(2) + 4nu(4), is observed to be coupled to the nearly degenerate 7nu(4) state by a Coriolis mechanism. A least-squares analysis yields values for zero-order vibrational energies, rotational constants, and a Coriolis-coupling coefficient that are all consistent with expectations. Calculated relative intensities of SEP transitions, accounting for interference due to axis-switching effects, are also consistent with observations. Implications of the observed Coriolis resonance with regard to global acetylene vibrational dynamics are also discussed. Copyright 2000 Academic Press.

  8. Dynamic study of carbon nanotube growth and catalyst morphology evolution during acetylene decomposition on Co/SBA-15 in an environmental TEM

    DEFF Research Database (Denmark)

    s Aires, F. J. Cadete Santo; Epicier, T.; Wagner, Jakob Birkedal;

    2012-01-01

    In situ studies of micro- and nano-objects in their characteristic environment have been performed ever since the early days of electron microscopy [1]. Over several decades the in situ observation of the synthesis of filamentous carbon (nanotubes/nanofilaments) during hydrocarbon decomposition has...... been one of the most popular topics [2] for investigation in the environmental transmission electron microscope (ETEM). In this work we study the growth of carbon nanotubes (CNTs) by the decomposition of acetylene on Co nanoparticles inserted into mesoporous silicas (SBA-15) using both conventional...... post mortem TEM measurements and real-time in situ ETEM observations. In situ observation of the formation of the carbon nanotubes was performed in an FEI Titan 80-300 ETEM equipped with an objective lens spherical aberration corrector [3]. Prior to acetylene decomposition, the catalyst nanoparticles...

  9. Effects of acido-basic support properties on the catalytic hydrogenation of acetylene on gold nano-particles

    Science.gov (United States)

    Manda, Abdullah Ahmed

    Metallic gold nanoparticles supported on gamma-Al2O 3 and magnesia-alumina mixed oxide, with different magnesia content have been prepared by sol-gel method and characterized by different techniques (inductive coupled plasma-mass spectroscopy (ICP-MS), XRD, BET surface area analysis, transmission electron microscopy (TEM), CO2 and NH 3 temperature programmed desorption (TPD), H2 temperature programmed reduction (TPR) and FTIR of adsorbed CO2). Such systems were found to produce catalysts with controllable acidity, varying from catalyst possessing large density of acidic and low density of basic sites, others with acidic and basic sites of equal strength and density, and others with large basic and low acid sites densities, respectively. The catalytic assessment of the generated acidity was carried out using 2-propanol decomposition as a test reaction. The results obtained indicate that the presence of magnesia and reduced gold nanopartilces has imparted the catalysts, 1%Au/4%Mg-Al 2O3 and 1%Au/8%Mg-Al2O3, with significant base-catalytic properties. Acetylene hydrogenation and formation of coke deposits were investigated on a gold catalyst supported on gamma-Al2O3 and gold supported on alumina-magnisia mixed oxide with different gold content; 1%Au/gamma-Al 2O3, 1%Au/15%Mg-Al2O3, 2%Au/15%Mg-Al 2O3 and 4%Au/15%Mg-Al2O3. The effect of the H2/C2H2 ratio was studied over a range of values. The catalytic activity and selectivity towards ethylene and other products were investigated at different reaction temperatures. Acetylene hydrogenation was investigated in the presence and absence of ethylene in stream. It is investigated that the adsorption of the triple bond is preferred over the double bond and during selective catalytic (SCR) of C2H2 the two hydrocarbons do not compete for the same adsorption sites. The deactivation of catalysts was studied by temperature programmed oxidation (TPO). Higher content of coke over 1%Au/Al2O3 catalyst was investigated in contrast to

  10. Effects of acetylene at low concentrations on nitrification, mineralization and microbial biomass nitrogen concentrations in forest soils

    Institute of Scientific and Technical Information of China (English)

    ZHANG TengYu; XU XingKai; LUO XianBao; HAN Lin; WANG YingHong; PAN GenXing

    2009-01-01

    Temperate forest surface soils at the varying distances from main trunks (e.g., Pinus koraiensis and Quercus mongolica) were used to study the effects of acetylene (C2H2) at low concentrations on nitri-fication, mineralization and microbial biomass N concentrations of the soils, and to assess the contri-bution of heterotrophic nitrification to nitrous oxide (N2O) emissions from soils. The use of acetylene at partial pressures within a range from 10 to 100 Pa C2H2 in headspace gas gave a significant decrease in N2O emission at soil moisture of c. 45% water-filled porosity space, and the decrease was almost the same in each soil after exposure of C2H2 at low concentrations. Heterotrophic nitrification could ac-count for 21%-48% of total N2O emission from each soil; the contribution would increase with in-creasing distances from the Pinus koraiensis trunks rather than from the Quercus mongolica trunks.Under the experimental conditions, the use of C2H2 at low concentrations showed no significant influ-ence on soil microbial biomass N, net N mineralization and microbial respiration. However, 100 Pa C2H2in headspace gas could reduce carbon dioxide (CO2) emissions from soils. According to the rapid consumption of 10 Pa C2H2 by forest soils and convenience for laboratory incubations, 50 Pa C2H2 in headspace gas can be used to study the origin of N2O emissions from forest soils under aerobic con-ditions and the key associated driving mechanisms. The N2O and CO2 emissions from the soils at the same distances from the Quercus mongolica trunks were larger than those from the Pinus koraiensis trunks, and both emissions decreased as the distances from trunks increased. The stepwise regression analysis showed that 95% of the variability in soil CO2 emissions could be accounted for by the con-centrations of soil total C and water soluble organic C and soil pH, and that 72% of the variability in soil N2O emissions could be accounted for by the concentrations of soil total N

  11. Effect of Au nano-particle aggregation on the deactivation of the AuCl3/AC catalyst for acetylene hydrochlorination

    OpenAIRE

    Bin Dai; Qinqin Wang; Feng Yu; Mingyuan Zhu

    2015-01-01

    A detailed study of the valence state and distribution of the AuCl3/AC catalyst during the acetylene hydrochlorination deactivation process is described and discussed. Temperature-programmed reduction and X-ray photoelectron spectral analysis indicate that the active Au3+ reduction to metallic Au0 is one reason for the deactivation of AuCl3/AC catalyst. Transmission electron microscopy characterization demonstrated that the particle size of Au nano-particles increases with increasing reaction...

  12. Synthesis of phenyl(1-/sup 14/C)acetylene and 1,4-diphenyl (1,4-/sup 14/C/sub 2/)butadiyne

    Energy Technology Data Exchange (ETDEWEB)

    Dhawan, S.N.; Kagan, J. (Illinois Univ., Chicago (USA). Dept. of Chemistry)

    1982-03-01

    Phenyl(1-/sup 14/C)acetylene (0.012mCi/mmole) was synthesized in 12.5% yield from (1-/sup 14/C)acetic acid through (1-/sup 14/C)acetophenone, its semicarbazone, and 4-phenyl-(4-/sup 14/C)1,2,3-selenadiazole obtained by selenium dioxide oxidation. Oxidative coupling gave 1,4-diphenyl(1,4-/sup 14/C/sub 2/)butadiyne in 80% yield.

  13. Three-step laser induced ionization of Ir and Hg atoms in an air-acetylene flame and a gas cell

    International Nuclear Information System (INIS)

    The feasibility and the application of three-step excitation and ionization schemes with excimer-pumped, pulsed dye lasers have been studied in the case of Iridium atoms in an air acetylene flame and of Mercury atoms in a gas cell. The detection limits obtained were 0.2 ng/ml in the case of Ir and 107 atoms per cubic centimeter of air

  14. Acetylene inhibition of N2O reduction in laboratory soil and groundwater denitrification assays: evaluation by 15N tracer and 15N site preference of N2O

    OpenAIRE

    Weymann, Daniel; Well, Reinhard; Lewicka-Szczebak, Dominika; Rohe, Lena

    2013-01-01

    Acetylene inhibition of N2O reduction in laboratory soil and groundwaterdenitrification assays: evaluation by 15N tracer and 15N site preference ofN2ODaniel Weymann (1), Reinhard Well (2), Dominika Lewicka-Szczebak (2,3), and Rohe Lena (2)(1) Forschungszentrum Juelich, Agrosphere Institute (IBG-3), Juelich, Germany (), (2)Thünen-Institute of Climate-Smart Agriculture, Braunschweig, Germany, (3) University of Wroclaw, PolandThe measurement of denitrification in soils and...

  15. Shock tube/laser absorption measurements of methane, acetylene and ethylene during the pyrolysis of n-pentane and iso-pentane

    KAUST Repository

    Sajid, Muhammad Bilal

    2015-11-09

    Pentane isomers are important constituents of distillate gasoline, compressed natural gas and liquefied petroleum gas. Pentane chemistry is integral component of the chemical kinetic mechanisms of larger hydrocarbons. Existing kinetic mechanisms differ in their predictions of the oxidative and pyrolysis behavior of pentane isomers. This work provides new species time-history data to validate and improve pentane chemistry models. Methane, acetylene and ethylene are measured during the high-temperature pyrolysis of n-pentane and iso-pentane. Experiments are performed behind reflected shock waves over 1400–2100 K and pressures near 1 atm. Methane and acetylene are measured using a quantum cascade laser operating near 8 µm, whereas ethylene is measured with a CO2 gas laser operating near 10.6 µm. A two-color technique is used to eliminate broadband interference caused by large hydrocarbons. Measurements are compared with predictions of existing chemical kinetic mechanisms which underpredict the formation of methane and acetylene but overpredict ethylene formation.

  16. Exergy Analysis and Retrofitting of Natural Gas-based Acetylene Process%天然气基乙炔工艺(火用)分析与改进

    Institute of Scientific and Technical Information of China (English)

    王志方; 郑丹星

    2008-01-01

    This article presents an acetylene production process by partial oxidation/combustion of natural gas.The thermodynamic performance and exergy analysis in the process are investigated using the tlow-sheetmg pro-gram Aspen Plus.The results indicate that the most important destruction of exergy is found to occur in the reactor and water quenching scrubber,amounting to 8.23%and 10.39%.respectively,of the entire system.Based on the results of thermodynamic and exergy analysis,the acetylene reactor has been retrofitted.The improvement ratios of molar O2 to CH4 and molar CO to CH4 are 0.65 and 0.20,respectively.An improvement of the acetylene production system is proposed.Adopting the improvement operation conditions and using oil to realize the reaction heat re- covery,the feedstock of natural gas is reduced by 9.88%and the exergy loss in the retrofitting process is decreased by 19.71%comparedtotheoriginalprocess.

  17. Optimization of Acetylene Black Conductive Additive andPolyvinylidene Difluoride Composition for High Power RechargeableLithium-Ion Cells

    Energy Technology Data Exchange (ETDEWEB)

    Liu, G.; Zheng, H.; Battaglia, V.S.; Simens, A.S.; Minor, A.M.; Song, X.

    2007-07-01

    Fundamental electrochemical methods were applied to study the effect of the acetylene black (AB) and the polyvinylidene difluoride (PVDF) polymer binder on the performance of high-power designed rechargeable lithium ion cells. A systematic study of the AB/PVDF long-range electronic conductivity at different weight ratios is performed using four-probe direct current tests and the results reported. There is a wide range of AB/PVDF ratios that satisfy the long-range electronic conductivity requirement of the lithium-ion cathode electrode; however, a significant cell power performance improvement is observed at small AB/PVDF composition ratios that are far from the long-range conductivity optimum of 1 to 1.25. Electrochemical impedance spectroscopy (EIS) tests indicate that the interfacial impedance decreases significantly with increase in binder content. The hybrid power pulse characterization results agree with the EIS tests and also show improvement for cells with a high PVDF content. The AB to PVDF composition plays a significant role in the interfacial resistance. We believe the higher binder contents lead to a more cohesive conductive carbon particle network that results in better overall all local electronic conductivity on the active material surface and hence reduced charge transfer impedance.

  18. Acetylene - Argon Plasmas Measured at a Biased Substrate Electrode for Diamond-Like Carbon Deposition. Part 2: Ion Energy Distributions

    CERN Document Server

    Baby, A; Lemoine, P; Maguire, P D

    2008-01-01

    Ion energy distributions have been determined at the rf-bias electrode in an inductively-coupled acetylene-argon plasma for various substrate bias voltages and frequencies under conditions suitable for film deposition. These are compared with those obtained at the grounded wall of a capacitively coupled plasma. In the former, for pressures up to 25 mTorr, the IEDs exhibit bimodal structures with peak separation values that follow the expected dependence on voltage and frequency. At higher pressures, 120 mTorr, the bimodal structure is replaced by a single peak. For all conditions, the dominant ion is Ar+ or ArH+ despite a set C2H2:Ar flow ratio of 2:1, and this can be attributed to the high electron dissociation of the parent molecule. Diamond-like carbon films indicate a peak hardness at an ion energy of around 90 eV and a very sharp fall in hardness is noted beyond this value. This is similar to the observed bombardment energy relationship for sp3 bond formation in hydrogen-free tetragonal amorphous carbon ...

  19. Direct Observation of Cascade of Photoinduced Ultrafast Intramolecular Charge Transfer Dynamics in Diphenyl Acetylene Derivatives: Via Solvation and Intramolecular Relaxation.

    Science.gov (United States)

    Karunakaran, Venugopal; Das, Suresh

    2016-07-21

    Interaction of light with electron donor-acceptor π-conjugated systems leading to intramolecular charge transfer (ICT) plays an essential role in transformation of light energy. Here the cascade of photoinduced ICT processes is directly observed by investigating the excited state relaxation dynamics of cyano and mono/di methoxy substituted diphenyl acetylene derivatives using femtosecond pump-probe spectroscopy and nanosecond laser flash photolysis. The femtosecond transient absorption spectra of the chromophores upon ultrafast excitation reveal the dynamics of intermediates involved in transition from initially populated Frank-Condon state to local excited state (LE). It also provides the dynamic details of the transition from the LE to the charge transfer state yielding the formation of the radical ions. Finally, the charge transfer state decays to the triplet state by geminate charge recombination. The latter dynamics are observed in the nanosecond transient absorption spectra. It is found that excited state relaxation pathways are controlled by different stages of solvation and intramolecular relaxation depending on the solvent polarity. The twisted ICT state is more stabilized (978 ps) in acetonitrile than cyclohexane where major components of transient absorption originate from the S1 state. PMID:27347705

  20. Superior mercury-free catalysts for acetylene hydrochlorination to VCM. Achieving high productivities and long catalyst life-time

    Energy Technology Data Exchange (ETDEWEB)

    Liebens, A.T.; Piccinini, M. [Solvay S.A., Bruxelles (Belgium)

    2013-11-01

    New mercury-free catalytic systems based on the use of ionic liquids (IL) and noble metals (e.g. Pd, Au) have been evaluated for the hydrochlorination reaction of acetylene to produce Vinyl Chloride Monomer (VCM). Two different approaches have been investigated: gas-liquid homogeneous catalytic systems in the presence of molten IL/Metal and heterogeneous gas-solid ones using solid materials. For the latter case, very positive results have been obtained using SILP-type catalysts (SILP: Supported Ionic Liquid Phase) where IL/Metal were deposited onto a solid mesoporous support. Remarkably, both systems display very high Space Time Yield (STY) and breakthrough life-time stability. No deactivation is observed even after 500 h on stream indicating the strong advantages of these new materials compared to most investigated Au/C supported systems. The development of heterogeneous catalysts was preferred as the scale-up of gas-liquid technology implies important CAPEX investments to convert current plants from gas-solid to gas-liquid equipment. (orig.)

  1. Synthesis of Highly Stable Silver-Loaded Vertical ZnO Nanowires Array and its Acetylene Sensing Properties

    Science.gov (United States)

    Uddin, Abu Sadat Mohammad Iftekhar; Chung, Gwiy-Sang

    2016-09-01

    A silver-loaded one-dimensional (1D) vertical ZnO nanowires (NWs) array synthesized by a facile seed mediated hydrothermal-RF magnetron sputtering method has been investigated for the fabrication of a highly stable and reproducible acetylene (C2H2) gas sensor. Successful immobilization of silver nanoparticles (NPs) as a sensitizer on the ZnO NWs array significantly enhanced the C2H2 sensing properties and showed a stable sensing performance. The grown structure exhibited high response magnitude (30.8 at 1000ppm), short response time (43s) and excellent selectivity at 220∘C. The enhanced performance can probably be accounted for the effect of combining the highly orientated ZnO NWs and catalytically active silver-based network. The superior sensing features toward C2H2 along with broad detection range (1-1000ppm), outstanding stability and excellent reproducibility indicate that the sensor is a promising candidate for practical applications.

  2. Rotationally Resolved Vacuum Ultraviolet Resonance-Enhanced Multiphoton Ionization (VUV REMPI) of Acetylene via the G̃ Rydberg State.

    Science.gov (United States)

    Schmidt-May, Alice F; Grütter, Monika; Neugebohren, Jannis; Kitsopoulos, T N; Wodtke, Alec M; Harding, Dan J

    2016-07-14

    We present a 1 + 1' resonance-enhanced multiphoton ionization (REMPI) scheme for acetylene via the linear G̃ 4sσ (1)Πu Rydberg state, offering partial rotational resolution and the possibility to detect excitation in both the cis- and trans-bending modes. The resonant transition to the G̃ state is driven by a vacuum ultraviolet (VUV) photon, generated by resonant four-wave mixing (FWM) in krypton. Ionization from the short-lived G̃ state then occurs quickly, driven by the high intensity of the residual light from the FWM process. We have observed nine bands in the region between 79 200 cm(-1) and 80 500 cm(-1) in C2H2 and C2D2. We compare our results with published spectra in this region and suggest alternative assignments for some of the Renner-Teller split bands. Similar REMPI schemes should be applicable to other small molecules with picosecond lifetime Rydberg states. PMID:27073931

  3. Reactivity of free radical intermediates that form spontaneously during molecular chlorine action on acetylene and vinyl monomers at low temperatures

    International Nuclear Information System (INIS)

    In this study ESR, UV, VIS and IR spectroscopy, chromatography, calorimetry, and elemental analysis were employed to show the spontaneous formation of free radicals under low-temperature action of molecular chlorine on acetylene monomer p-diethynylbenzene, and vinyl monomer acrylamide. These radicals are able to initiate chain reaction of polymerization of monomers at low temperatures. This reaction results in a completely soluble polymer with a yield of 25 %, while an insoluble cross-linked polymer has been obtained during polymerization of p-diethynylbenzene initiated by other means. For example, under radiolysis by 1000 kGy the soluble fraction of obtained polymer was ∼ 1% while the overall yield was ∼ 10%. p-Diethynylbenzene polymerizes at temperatures close to chlorine melting (170 K). Polymerization of acrylamide takes place in the temperature range of 180-210 K with an yield of polymer ∼ 10%. The low-temperature chlorination of a 20%-solution of acrylamide in glycerol enables a twofold increase of the polymer yield, and a tenfold decrease of the chlorine content in it.

  4. The acetylene inhibition technique to determine total denitrification (N2 + N2O losses from soil samples: potentials and limitations

    Directory of Open Access Journals (Sweden)

    A. Neftel

    2012-03-01

    Full Text Available The loss of N2 from intensively managed agro-ecosystems is an important part of the N budget. The monitoring of N2 emissions at the field scale is impossible due to the high atmospheric background of 78%, which precludes the measurement of fluxes. The acetylene (C2H2 inhibition technique is a rather simple, albeit imperfect, method to determine N2 losses from entire soil cores. Despites serious limitations it is one among very few methodological options to estimate total denitrification at high temporal resolution and on small spatial scale, with limited workload and costs involved. A laboratory system with two different detection systems (photoacoustic IR spectroscopy and gas chromatography is presented, which allowed parallel measurements of up to 7 intact soil cores in air-tight glass tubes in a temperature controlled cabinet (adjusted to field conditions with an automated C2H2 injection. A survey of total denitrification losses (N2 + N2O over 1.5 yr in soil from an intensively managed, cut grassland system in central Switzerland showed a lower bound loss in the range of 6 to 25 kg N ha−1 yr−1 (3–13% of added N, roughly 3.4 times higher than the N2O loss. However, several drawbacks of the C2H2 inhibition technique preclude a more precise determination of the total denitrification loss.

  5. Measurements of hydrogen cyanide (HCN and acetylene (C2H2 from the Infrared Atmospheric Sounding Interferometer (IASI

    Directory of Open Access Journals (Sweden)

    V. Duflot

    2013-04-01

    Full Text Available Hydrogen cyanide (HCN and acetylene (C2H2 are ubiquitous atmospheric trace gases with medium lifetime, which are frequently used as indicators of combustion sources and as tracers for atmospheric transport and chemistry. Because of their weak infrared absorption, overlapped by the CO2 Q branch near 720 cm−1, nadir sounders have up to now failed to measure these gases routinely. Taking into account CO2 line mixing, we provide for the first time extensive measurements of HCN and C2H2 total columns at Reunion Island (21° S, 55° E and Jungfraujoch (46° N, 8° E in 2009–2010 using observations from the Infrared Atmospheric Sounding Interferometer (IASI. A first order comparison with local ground-based Fourier transform infraRed (FTIR measurements has been carried out allowing tests of seasonal consistency which is reasonably captured, except for HCN at Jungfraujoch. The IASI data shows a greater tendency to high C2H2 values. We also examine a nonspecific biomass burning plume over austral Africa and show that the emission ratios with respect to CO agree with previously reported values.

  6. Measurements of hydrogen cyanide (HCN and acetylene (C2H2 from the Infrared Atmospheric Sounding Interferometer (IASI

    Directory of Open Access Journals (Sweden)

    C. Clerbaux

    2012-10-01

    Full Text Available Hydrogen cyanide (HCN and acetylene (C2H2 are ubiquitous atmospheric trace gases with medium lifetime, which are frequently used as indicators of combustion sources and as tracers for atmospheric transport and chemistry. Because of their weak infrared absorption, overlapped by the CO2 Q-branch near 720 cm−1, nadir sounders have up to now failed to measure these gases routinely. Taking into account CO2 line mixing we provide for the first time extensive measurements of HCN and C2H2 total columns at Reunion Island (21° S; 55° E and Jungfraujoch (46° N; 8° E in 2009–2010 using observations from the Infrared Atmospheric Sounding Interferometer (IASI. These are compared with local ground-based Fourier Transform InfraRed (FTIR measurements and we demonstrate that the seasonality is well captured, except for HCN at Jungfraujoch. We also examine a nonspecific biomass burning plume over austral Africa and show that the emission ratios with respect to CO agree with previously reported values.

  7. Synthesis, characterization, and stability of Fe-MCM-41 for production of carbon nanotubes by acetylene pyrolysis.

    Science.gov (United States)

    Amama, Placidus B; Lim, Sangyun; Ciuparu, Dragos; Yang, Yanhui; Pfefferle, Lisa; Haller, Gary L

    2005-02-24

    Fe-substituted MCM-41 molecular sieves with ca. 1, 2, and 3 wt % Fe were synthesized hydrothermally using different sources of colloidal silica (HiSil and Cab-O-Sil) and characterized by ICP, XRD, N2 physisorption, UV-vis, EPR, TPR, and X-ray absorption. Catalysts synthesized from Cab-O-Sil showed higher structural order and stability than those from HiSil. The local environment of Fe in the mesoporous material as studied by UV-vis reveals the dominance of framework Fe in all the as-synthesized Fe-MCM-41 samples. Dislodgement of some Fe species to extraframework location occurs upon calcination, and this effect is more severe for Fe-MCM-41 (2 wt %) and Fe-MCM-41 (3 wt %), as confirmed by EPR and X-ray absorption. These materials have been used as catalytic templates for the production of carbon nanotubes (CNTs) by acetylene pyrolysis at atmospheric pressure. A relationship between the Fe loading in MCM-41 and the carbon species produced during this reaction has been established. Using our optimized conditions for this system, Fe-MCM-41 with ca. 2 wt % Fe showed the best results with particularly high selectivity for single-wall carbon nanotube (SWNT) production. This catalyst was selective for carbon nanotubes with a low amount of amorphous carbon for a narrow range of temperatures from 1073 to 1123 K. To account for the different selectivity of these catalysts for CNTs production, the local environment and chemical state of Fe in the used catalyst was further probed by X-band EPR. PMID:16851270

  8. Characterization of nitrogen-fixing bacteria from a temperate saltmarsh lagoon, including isolates that produce ethane from acetylene.

    Science.gov (United States)

    Tibbles, B J; Rawlings, D E

    1994-01-01

    Nitrogen-fixing bacteria were isolated from sediments and water of a saltmarsh lagoon on the west coast of South Africa, and characterized according to factors that regulate nitrogen fixation in the marine environment. The majority of isolates were assigned to the Photobacterium or Vibrio genera on the basis of physiological and biochemical characteristics. One isolate was further assigned to the species Vibrio diazotrophicus. Carbohydrate utilization by each diazotrophic isolate was examined. Abilities of the isolates to utilize a range of mono-, di-, and polysaccharides largely reflected the predicted availability of organic carbon and energy in the lagoon, except that chitin was not utilized. Biochemical tests on the utilization of combined nitrogen showed that one isolate could utilize nitrate, and that this strain was susceptible to full repression of nitrogenase activity by 10mM nitrate. Urease activity was not detected in any of the isolates. In the absence of molybdenum two of the isolates, a Photobacterium spp. and V. diazotrophicus, reduced acetylene to ethylene and ethane, a property frequently associated with the activity of alternative nitrogenases. Addition of 25µM molybdenum inhibited ethane production by V. diazotrophicus, but stimulated ethylene and ethane production by the Photobacterium isolate. Addition of 28µM vanadium did not appear to regulate ethane production by either strain. Assays of nitrogenase activity in sediments from which some isolates were obtained indicated that molybdenum was not limiting nitrogenase activity at naturally-occurring concentrations. Southern hybridizations of the chromosomes of these strains with the anfH and vnfH genes of Azotobacter vinelandii and the nifH gene of Klebsiella pneumoniae indicated the presence of only one nitrogenase in these isolates.

  9. A DFT study on the mechanisms for the cycloaddition reactions between 1-aza-2-azoniaallene cations and acetylenes.

    Science.gov (United States)

    Wang, Jing-mei; Li, Zhi-ming; Wang, Quan-rui; Tao, Feng-gang

    2013-01-01

    The mechanisms of cycloaddition reactions between 1-aza-2-azoniaallene cations 1 and acetylenes 2 have been investigated using the global electrophilicity and nucleophilicity of the corresponding reactants as global reactivity indexes defined within the conceptual density functional theory. The reactivity and regioselectivity of these reactions were predicted by analysis of the energies, geometries, and electronic nature of the transition state structures. The theoretical results revealed that the reaction features a tandem process: an ionic 1,3-dipolar cycloaddition to produce the cycloadducts 3 H-pyrazolium salts 3 followed by a [1,2]-shift affording the thermodynamically more stable adducts 4 or 5. The mechanism of the cycloaddition reactions can be described as an asynchronous concerted pathway with reverse electron demand. The model reaction has also been investigated at the QCISD/6-31++G(d,p) and CCSD(T)/6-31++G(d,p)//B3LYP/6-31++G(d,p) levels as well as by the DFT. The polarizable continuum model, at the B3LYP/6-31++G(d,p) level of theory, was used to study solvent effects on all the studied reactions. In solvent dichloromethane, all the initial cycloadducts 3 were obtained via direct ionic process as the result of the solvent effect. The consecutive [1,2]-shift reaction, in which intermediates 3 are rearranged to the five-membered heterocycles 4/5, is proved to be a kinetically controlled reaction, and the regioselectivity can be modulated by varying the migrant. The LOL function and RDG function based on localized electron analysis were used to analysis the covalent bond and noncovalent interactions in order to unravel the mechanism of the title reactions. PMID:22810049

  10. Stable Carbon Isotope Fractionation during Bacterial Acetylene Fermentation: Potential for Life Detection in Hydrocarbon-Rich Volatiles of Icy Planet(oid)s

    OpenAIRE

    Miller, Laurence G.; Baesman, Shaun M.; Oremland, Ronald S.

    2015-01-01

    Abstract We report the first study of stable carbon isotope fractionation during microbial fermentation of acetylene (C2H2) in sediments, sediment enrichments, and bacterial cultures. Kinetic isotope effects (KIEs) averaged 3.7 ± 0.5‰ for slurries prepared with sediment collected at an intertidal mudflat in San Francisco Bay and 2.7 ± 0.2‰ for a pure culture of Pelobacter sp. isolated from these sediments. A similar KIE of 1.8 ± 0.7‰ was obtained for methanogenic enrichments derived from sedi...

  11. Acetylene C2H 2 retrievals from MIPAS data and regions of enhanced upper tropospheric concentrations in August 2003

    Directory of Open Access Journals (Sweden)

    V. P. Kanawade

    2011-10-01

    Full Text Available Acetylene (C2H2 volume mixing ratios (VMRs have been successfully retrieved from the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS Level 1B radiances during August 2003, providing the first global map of such data and ratios to CO in the literature. The data presented here contain most information between 300 hPa and 100 hPa with systematic errors less than 10% at the upper levels. Random errors per point are less than 15% at lower levels and are closer to 30% at 100 hPa. Global distributions of the C2H2 and C2H2/CO ratio confirm significant features associated with both the Asian monsoon anticyclone and biomass burning for this important hydrocarbon in a characteristic summer month (August 2003, showing tight correlations regionally, particularly at lower to medium values, but globally emphasising the differences between sources and lifetimes of CO and C2H2. The correlations are seen to be particularly disturbed in the regions of highest C2H2 concentrations, indicating variability in the surface emissions or fast processing. A strong isolation of C2H2 within the Asian monsoon anticyclone is observed, evidencing convective transport into the upper troposphere, horizontal advection within the anticyclone at 200 hPa, distinct gradients at the westward edge of the vortex and formation of a secondary dynamical feature from the eastward extension of the anticyclone outflow over the Asian Pacific. Ratios of C2H2/CO are consistent with the evidence from the cross-sections that the C2H2 is uplifted rapidly in convection. Observations are presented of enhanced C2H2 associated with the injection from biomass burning into the upper troposphere and the outflow from Africa at 200 hPa into both the Atlantic and Indian Oceans. In the biomass burning regions, C2H2 and CO are well correlated, but the uplift is less marked and peaks at lower altitudes compared to the strong effects observed in the Asian monsoon anticyclone. Ratios of C2H2/CO

  12. X-H···π and X-H···N hydrogen bonds - Acetylene and hydrogen cyanide as proton acceptors

    International Nuclear Information System (INIS)

    The hydrogen-bonded systems were considered where acetylene or hydrogen cyanide acts as a proton acceptor and different proton donating molecules are taken into account. The B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) calculations were performed for the systems considered; for HCN···HF and C2H2···HF complexes various levels of approximation were applied up to CCSD(T)/6-311++G(3df,3pd)//CCSD/6-311++G(3df,3pd). The Quantum Theory of 'Atoms in Molecules' (QTAIM) was also applied. It was found that π-electrons of acetylene might act as the proton accepting centers and the found complex conformations are T-shaped ones. For hydrogen cyanide molecule the nitrogen atom acts as the proton acceptor center but not π-electrons. The characteristics of the bond critical points were also considered for the analyzed interactions and numerous correlations were found between geometrical, energetic and QTAIM parameters. The decomposition of the interaction energy for the systems analyzed was also applied.

  13. Reuse of waste sodium hypochlorite solution from the purification of acetylene%乙炔清净次氯酸钠废水的回用

    Institute of Scientific and Technical Information of China (English)

    唐红建; 秦明月

    2013-01-01

    Technologies for the treatment of waste sodium hypochlorite solution from acetylene purification process were introduced .Through adopting such methods as vacuum extraction ,oxida-tion ,flocculation ,precipitation ,and filtration ,acetylene dissolved in the waste sodium hypochlo-rite solution was recovered ;the contained impurities ,such as chlorides ,silicon ,phosphorus ,and magnesium ,were removed ;thus ,the hidden danger existed in the preparation of sodium hypochlo-rite solution was reduced as well as the influences on the production and quality of cement .%介绍了乙炔清净工序产生的次氯酸钠废水的处理技术,通过采用真空萃取、氧化、絮凝、沉淀、过滤等方法,回收了次氯酸钠废水中溶解的乙炔,去除了其中的氯化物、硅、硫、磷、镁等杂质,减少了次氯酸钠配制的安全隐患和对电石渣水泥生产及质量的影响。

  14. Full dimensional Franck-Condon factors for the acetylene A~ 1Au—X~1Σ+g  transition. I. Method for calculating polyatomic linear—bent vibrational intensity factors and evaluation of calculated intensities for the gerade vibrational modes in acetylene

    International Nuclear Information System (INIS)

    Franck-Condon vibrational overlap integrals for the A~1Au—X~1Σ+g transition in acetylene have been calculated in full dimension in the harmonic normal mode basis. The calculation uses the method of generating functions first developed for polyatomic Franck-Condon factors by Sharp and Rosenstock [J. Chem. Phys. 41(11), 3453–3463 (1964)], and previously applied to acetylene by Watson [J. Mol. Spectrosc. 207(2), 276–284 (2001)] in a reduced-dimension calculation. Because the transition involves a large change in the equilibrium geometry of the electronic states, two different types of corrections to the coordinate transformation are considered to first order: corrections for axis-switching between the Cartesian molecular frames and corrections for the curvilinear nature of the normal modes at large amplitude. The angular factor in the wave function for the out-of-plane component of the trans bending mode, ν4″, is treated as a rotation, which results in an Eckart constraint on the polar coordinates of the bending modes. To simplify the calculation, the other degenerate bending mode, ν5″, is integrated in the Cartesian basis and later transformed to the constrained polar coordinate basis, restoring the conventional v and l quantum numbers. An updated A~-state harmonic force field obtained recently in the R. W. Field research group is evaluated. The results for transitions involving the gerade vibrational modes are in qualitative agreement with experiment. Calculated results for transitions involving ungerade modes are presented in Paper II of this series [G. B. Park, J. H. Baraban, and R. W. Field, “Full dimensional Franck–Condon factors for the acetylene A~1Au—X~1Σ+g transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes,” J. Chem. Phys. 141, 134305 (2014)

  15. Comparative study of the monomer grafting: ethylene, acetylene, 1,3-butadiene and estyrene in the matrix of recycled polytetrafluoroethylene (PTFE)

    International Nuclear Information System (INIS)

    In this study it is used the recycled polytetrafluoroethylene (PTFE), that with the gamma radiation under inert atmosphere or in presence of air, it is obtained free radicals and a posterior the monomer grafting (ethylene, acetylene, styrene or 1.3 butadiene), obtaining the copolymer polytetrafluoroethylene-g-monomer. It is studied the obtention of the polymer by two methods: by direct way, via grafting, where the polymer is irradiated in presence of monomer, and via grafting when the polymer is irradiated in absence of monomer and under inert or air. The characterization of the copolymer was performed by the techniques of infrared region absorption spectroscopy with Fourier transformation (FTIR), thermogravimetric (TGA) and derivative thermogravimetry (DTG), and percentage of mass grafting (DOG)

  16. Electrochemical behavior and voltammetric determination of vanillin based on an acetylene black paste electrode modified with graphene-polyvinylpyrrolidone composite film.

    Science.gov (United States)

    Deng, Peihong; Xu, Zhifeng; Zeng, Rongying; Ding, Chunxia

    2015-08-01

    The graphene-polyvinylpyrrolidone composite film modified acetylene black paste electrode (GR-PVP/ABPE) was fabricated and used to determine vanillin. In 0.1M H3PO4 solution, the oxidation peak current of vanillin increased significantly at GR-PVP/ABPE compared with bare ABPE, PVP/ABPE and GR/ABPE. The oxidation mechanism was discussed. The experimental conditions that exert influence on the voltammetric determination of vanillin, such as supporting electrolytes, pH values, accumulation potential and accumulation time, were optimized. Besides, the interference, repeatability, reproducibility and stability measurements were also evaluated. Under the optimal experimental conditions, the oxidation peak current was proportional to vanillin concentration in the range of 0.02-2.0 μM, 2.0-40 μM and 40-100 μM. The detection limit was 10nM. This sensor was used successfully for vanillin determination in various food samples.

  17. Acetylene weak bands at 2.5 $\\mu$m from intracavity Cr2+:ZnSe laser absorption observed with time-resolved Fourier transform spectroscopy

    CERN Document Server

    Girard, V; Sorokin, E; Sorokina, I T; Guelachvili, G; Picqué, N; Farrenq, Robert; Sorokin, Evgeni; Sorokina, Irina T.; Guelachvili, Guy; Picqu\\'{e}, Nathalie

    2006-01-01

    The spectral dynamics of a mid-infrared multimode Cr^2+:ZnSe laser located in a vacuum sealed chamber containing acetylene at low pressure is analyzed by a stepping-mode high-resolution time-resolved Fourier transform interferometer. Doppler-limited absorption spectra of C_2H_2 in natural isotopic abundance are recorded around 4000 cm^-1 with kilometric absorption path lengths and sensitivities better than 3 10^-8 cm-1. Two cold bands are newly identified and assigned to the n_1+n_4^1 and n_3+n_5^1 transitions of ^12C^13CH_2. The n_1+n_5^1 band of ^12C_2HD and fourteen ^12C_2H_2 bands are observed, among which for the first time n_2+2n_4^2+n_5^-1.

  18. In situ spectroscopic characterization of Ni1-xZnx/ZnO catalysts and their selectivity for acetylene semihydrogenation in excess ethylene

    Energy Technology Data Exchange (ETDEWEB)

    Spanjers, Charles S.; Sim, Richard S.; Sturgis, Nicholas P.; Kabius, Bernd; Rioux, Robert M. (Penn State)

    2015-10-30

    The structures of ZnO-supported Ni catalysts were explored with in situ X-ray absorption spectroscopy, temperature-programmed reduction, X-ray diffraction, high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy, and electron energy loss spectroscopy. Calcination of nickel nitrate on a nanoparticulate ZnO support at 450 °C results in the formation of Zn-doped NiO (ca. N₀̣̣₈₅ Zn₀̣̣₁₅O) nanoparticles with the rock salt crystal structure. Subsequent in situ reduction monitored by X-ray absorption near-edge structure (XANES) at the Ni K edge reveals a direct transformation of the Zn-doped NiO nanoparticles to a face-centered cubic alloy, Ni1-xZnx, at ~400 °C with x increasing with increasing temperature. Both in situ XANES and ex situ HRTEM provide evidence for intermetallic β₁-NiZn formation at ~550 °C. In comparison to a Ni/SiO₂ catalyst, Ni/ZnO necessitates a higher temperature for the reduction of NiII to Ni⁰, which highlights the strong interaction between Ni and the ZnO support. The catalytic activity for acetylene removal from an ethylene feed stream is decreased by a factor of 20 on Ni/ZnO in comparison to Ni/SiO₂. The decrease in catalytic activity of Ni/ZnO is accompanied by a reduced absolute selectivity to ethylene. H–D exchange measurements demonstrate a reduced ability of Ni/ZnO to dissociate hydrogen in comparison to Ni/SiO₂.These results of the catalytic experiments suggest that the catalytic properties are controlled, in part, by the zinc oxide support and stress the importance of reporting absolute ethylene selectivity for the catalytic semihydrogenation of acetylene in excess ethylene.

  19. Effect of Solvent and Acid-Base on Palladium(ll)-catalyzed Dicarbonylation of Terminal Acetylenes: a General, Efficient andStereoselective Synthesis of Maleic Diesters and Maleic Anhydrides

    Institute of Scientific and Technical Information of China (English)

    JIANG, Huan-Feng; LI, JiN-Heng; CHEN, Ming-Cai

    2001-01-01

    The productions of maleic diesters and maleic anhydrises depend on the effect of solvint and acid-bade of solvent and acid-base in palladium-catalyzed dicarbonylation of terminal acetylenes. For primaryand secondary alcohol in benzene.only maleic diesters wereobtained stereospecifically from the sicabonylation ofacetylenes in the presence of PdCl2,and NaHCO3.For tERTIARy alcohols,maleic anhydrides were synthesized selectively.

  20. Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units.

    Science.gov (United States)

    Yao, Zizhu; Zhang, Zhangjing; Liu, Lizhen; Li, Ziyin; Zhou, Wei; Zhao, Yunfeng; Han, Yu; Chen, Banglin; Krishna, Rajamani; Xiang, Shengchang

    2016-04-11

    Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5-triazole isophthalic acid in different solvents, two metal-organic frameworks (MOFs, FJU-21 and FJU-22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle-wheel {Cu2(COO2)4} nodes and metal-ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU-21 and FJU-22 are the first examples in which the MOFs' robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU-22 a, which has higher surface area and gas uptakes than the flexible FJU-21 a. Importantly, FJU-22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU-22 a for 50:50 C2H2/CO2 mixtures is about twice that of the high-capacity HOF-3, and its actual separation selectivity for C2H2/C2H4 mixtures containing 1% acetylene is the highest among reported porous materials. Based on first-principles calculations, the extraordinary separation performance of C2H2 for FJU-22 a was attributed to hydrogen-bonding interactions between the C2H2 molecules with the open O donors on the wall, which provide better recognition ability for C2H2 than other functional sites, including open metal sites and amino groups.

  1. Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units

    KAUST Repository

    Yao, Zizhu

    2016-03-02

    Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5-triazole isophthalic acid in different solvents, two metal-organic frameworks (MOFs, FJU-21 and FJU-22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle-wheel {Cu2(COO2)4} nodes and metal-ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU-21 and FJU-22 are the first examples in which the MOFs\\' robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU-22 a, which has higher surface area and gas uptakes than the flexible FJU-21 a. Importantly, FJU-22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU-22 a for 50:50 C2H2/CO2 mixtures is about twice that of the high-capacity HOF-3, and its actual separation selectivity for C2H2/C2H4 mixtures containing 1 % acetylene is the highest among reported porous materials. Based on first-principles calculations, the extraordinary separation performance of C2H2 for FJU-22 a was attributed to hydrogen-bonding interactions between the C2H2 molecules with the open O donors on the wall, which provide better recognition ability for C2H2 than other functional sites, including open metal sites and amino groups. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Differences of cardiac output measurements by open-circuit acetylene uptake in pulmonary arterial hypertension and chronic thromboembolic pulmonary hypertension: a cohort study

    Directory of Open Access Journals (Sweden)

    Schwaiblmair Martin

    2012-03-01

    Full Text Available Abstract Background As differences in gas exchange between pulmonary arterial hypertension (PAH and chronic thromboembolic pulmonary hypertension (CTEPH have been demonstrated, we asked if cardiac output measurements determined by acetylene (C2H2 uptake significantly differed in these diseases when compared to the thermodilution technique. Method Single-breath open-circuit C2H2 uptake, thermodilution, and cardiopulmonary exercise testing were performed in 72 PAH and 32 CTEPH patients. Results In PAH patients the results for cardiac output obtained by the two methods showed an acceptable agreement with a mean difference of -0.16 L/min (95% CI -2.64 to 2.32 L/min. In contrast, the agreement was poorer in the CTEPH group with the difference being -0.56 L/min (95% CI -4.96 to 3.84 L/min. Functional dead space ventilation (44.5 ± 1.6 vs. 32.2 ± 1.4%, p 2 gradient (9.9 ± 0.8 vs. 4.1 ± 0.5 mmHg, p Conclusion Cardiac output evaluation by the C2H2 technique should be interpreted with caution in CTEPH, as ventilation to perfusion mismatching might be more relevant than in PAH.

  3. Acetylene Black Induced Heterogeneous Growth of Macroporous CoV2O6 Nanosheet for High-Rate Pseudocapacitive Lithium-Ion Battery Anode.

    Science.gov (United States)

    Zhang, Lei; Zhao, Kangning; Luo, Yanzhu; Dong, Yifan; Xu, Wangwang; Yan, Mengyu; Ren, Wenhao; Zhou, Liang; Qu, Longbing; Mai, Liqiang

    2016-03-23

    Metal vanadates suffer from fast capacity fading in lithium-ion batteries especially at a high rate. Pseudocapacitance, which is associated with surface or near-surface redox reactions, can provide fast charge/discharge capacity free from diffusion-controlled intercalation processes and is able to address the above issue. In this work, we report the synthesis of macroporous CoV2O6 nanosheets through a facile one-pot method via acetylene black induced heterogeneous growth. When applied as lithium-ion battery anode, the macroporous CoV2O6 nanosheets show typical features of pseudocapacitive behavior: (1) currents that are mostly linearly dependent on sweep rate and (2) redox peaks whose potentials do not shift significantly with sweep rate. The macroporous CoV2O6 nanosheets display a high reversible capacity of 702 mAh g(-1) at 200 mA g(-1), excellent cyclability with a capacity retention of 89% (against the second cycle) after 500 cycles at 500 mA g(-1), and high rate capability of 453 mAh g(-1) at 5000 mA g(-1). We believe that the introduction of pseudocapacitive properties in lithium battery is a promising direction for developing electrode materials with high-rate capability.

  4. Triel Bonds, π-Hole-π-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene.

    Science.gov (United States)

    Grabowski, Sławomir J

    2015-06-19

    MP2/aug-cc-pVTZ calculations were performed on complexes of aluminium and boron trihydrides and trihalides with acetylene and ethylene. These complexes are linked through triel bonds where the triel center (B or Al) is characterized by the Lewis acid properties through its π-hole region while π-electrons of C2H2 or C2H4 molecule play the role of the Lewis base. Some of these interactions possess characteristics of covalent bonds, i.e., the Al-π-electrons links as well as the interaction in the BH3-C2H2 complex. The triel-π-electrons interactions are classified sometimes as the 3c-2e bonds. In the case of boron trihydrides, these interactions are often the preliminary stages of the hydroboration reaction. The Quantum Theory of "Atoms in Molecules" as well as the Natural Bond Orbitals approach are applied here to characterize the π-hole-π-electrons interactions.

  5. A near-infrared acetylene detection system based on a 1.534 μm tunable diode laser and a miniature gas chamber

    Science.gov (United States)

    He, Qixin; Zheng, Chuantao; Liu, Huifang; Li, Bin; Wang, Yiding; Tittel, Frank K.

    2016-03-01

    A near-infrared (NIR) dual-channel differential acetylene (C2H2) detection system was experimentally demonstrated based on tunable diode laser absorption spectroscopy (TDLAS) technique and wavelength modulation spectroscopy (WMS) technique. A distributed feedback (DFB) laser modulated by a self-developed driver around 1.534 μm is used as light source. A miniature gas chamber with 15 cm path length is adopted as absorption pool, and an orthogonal lock-in amplifier is developed to extract the second harmonic (2f) signal. Sufficient standard C2H2 samples with different concentrations were prepared, and detailed measurements were carried out to study the detection performance. A good linear relationship is observed between the amplitude of the 2f signal and C2H2 concentration within the range of 200-10,000 ppm, and the relative measurement error is less than 5% within the whole range. A long-term monitoring lasting for 20 h on a 1000 ppm C2H2 sample was carried out, and the maximum concentration fluctuation is less than 2%. Due to the capability of using long-distance and low-loss optical fiber, the gas-cell can be placed in the filed for remote monitoring, which enables the system to have good prospects in industrial field.

  6. SYNTHESIS OF THE COPOLYMERS OF p-DIETHYNYLBENZENE WITH OTHER ACETYLENIC DERIVATIVES INITIATED BY (Ph3P)2 PdCl2

    Institute of Scientific and Technical Information of China (English)

    LI Yinkui; Chen Zhaohui

    1993-01-01

    The copolymerization of p- diethynylbenzene (PDEB) with phenylacetylene ( PhA ), 4, 4 '-diethynylbiphenyl ( DEBP )or m-diethynylbenzene (MDEB) are studied by varying mole ratios of monomers. When the mole ratios of PDEB/PhA are less or equal to 1/5, the copolymers are soluble and fusible, but the other copolymers are insoluble and infusible. The results show that the good solvent of cross-linked copolymers is benzene and their solubility parameter is 9.15 cal0.5.cm- 1.5. And their swellability (θp), Huggins parameter (χ), density (d245) and the average molecular weights between crosslinks (-Mc) are measured. It is found that θp and -Mc of copolymers are greater but d25 4is less than that of respective homopolymers. IR spectra show that the copolymers have transoid configuration and small number of unreacted ethynyl groups exist in the copolymers. The mechanism about the polymerization or acetylenic derivatives initiated by (Ph3P)2PdCl2 is dis cussed.

  7. Stable carbon isotope fractionation during bacterial acetylene fermentation: Potential for life detection in hydrocarbon-rich volatiles of icy planet(oid)s

    Science.gov (United States)

    Miller, Laurence; Baesman, Shaun; Oremland, Ron

    2015-01-01

    We report the first study of stable carbon isotope fractionation during microbial fermentation of acetylene (C2H2) in sediments, sediment enrichments, and bacterial cultures. Kinetic isotope effects (KIEs) averaged 3.7 ± 0.5‰ for slurries prepared with sediment collected at an intertidal mudflat in San Francisco Bay and 2.7 ± 0.2‰ for a pure culture of Pelobacter sp. isolated from these sediments. A similar KIE of 1.8 ± 0.7‰ was obtained for methanogenic enrichments derived from sediment collected at freshwater Searsville Lake, California. However, C2H2 uptake by a highly enriched mixed culture (strain SV7) obtained from Searsville Lake sediments resulted in a larger KIE of 9.0 ± 0.7‰. These are modest KIEs when compared with fractionation observed during oxidation of C1 compounds such as methane and methyl halides but are comparable to results obtained with other C2compounds. These observations may be useful in distinguishing biologically active processes operating at distant locales in the Solar System where C2H2 is present. These locales include the surface of Saturn's largest moon Titan and the vaporous water- and hydrocarbon-rich jets emanating from Enceladus.

  8. Electrochemical characterization of the LiCoO{sub 2}/acetylene carbon ratios for porous electrodes in alkaline lithium aqueous solutions by electrochemical impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Castaneda, H., E-mail: castanedah@battelle.or [Battelle Memorial Institute, 505 King Avenue, Columbus OH, 43201 (United States); Tan, B.; Saunders, J. [Battelle Memorial Institute, 505 King Avenue, Columbus OH, 43201 (United States)

    2010-05-01

    LiCoO{sub 2} electrodes were fabricated with different acetylene carbon (AC) additions and fixed binder content. Subsequent electrochemical testing showed different processes at the interface that are related to pore distribution and electrode composition. Electrochemical impedance spectroscopy characterized the mechanisms close to open circuit conditions. The active state, combined with diffusion mechanisms within the cylindrical pores, contributed to the functionality of the particles according to the LiCoO{sub 2}/AC content, and surface characteristics of the electrode influenced the impedance distribution. The de Levie theory for porous electrode was used to describe the influence of the LiCoO{sub 2}/AC ratios in the impedance distribution when exposed to alkaline aqueous electrolytes (LiOH + Li{sub 2}SO{sub 4}). The pore model helped relate physical properties of the composite material, such as pore count, pore length, and double layer capacitance, with the mechanisms present at the interface. The theoretical model was validated with experimental data and the fitting process resulted in good agreement.

  9. Process analysis of effluent hydrocarbon recycling for coal pyrolysis to acetylene in thermal plasma%热等离子体煤制乙炔裂解气烃类循环过程分析

    Institute of Scientific and Technical Information of China (English)

    程炎; 颜彬航; 李天阳; 程易

    2015-01-01

    针对等离子体煤裂解制乙炔过程,提出了将过程裂解气中副产的烃类分离,循环输入等离子体反应器的新型工艺流程。基于新疆天业2 MW示范平台装置的典型运行参数,采用热力学分析手段,理论上分析了该工艺流程对于体系乙炔产量、单位质量乙炔煤耗和裂解电耗等的影响。结果表明,裂解气烃类循环可以有效提高裂解气中乙炔浓度和产率,同时减少煤粉输送气等流程气体的使用。典型操作条件下,采用裂解气烃类循环工艺可以增加35.6%的乙炔收率和13.4%的氢气收率,降低30%的单位乙炔煤耗和裂解电耗,是高效可行的优化方案。%Coal pyrolysis via thermal plasma provides an alternative path to realize the effective conversion from coal to acetylene. Recycling the hydrocarbons in the effluent gas to the plasma pyrolysis process is proposed in this work to improve the reactor performance. Thermodynamic analysis is made as the reference on the basis of the pilot-plant results of Xinjiang Tianye 2 MW plasma pyrolysis device. The comparison results show that the recycling of effluent hydrocarbons (except acetylene) can raise the volume fraction and mass flow rate of acetylene in the product gas. The hydrocarbons in cracked gas is ample to be used as the conveying and accelerating gas for coal and the protecting gas for plasma torch, which can reduce the input amount of working gas and optimize the whole gas flow of the process. Different optimization cases are discussed to compare the products (i.e., acetylene and hydrogen) output and the gas input of the thermal plasma pyrolysis system. The optimized results show that the recycling process is feasible and effective, with reduced coal consumption (30%) and pyrolysis energy consumption (30%) as well as increased acetylene yield (35.6%).

  10. Acetylene inhibition of N2O reduction in laboratory soil and groundwater denitrification assays: evaluation by 15N tracer and 15N site preference of N2O

    Science.gov (United States)

    Weymann, Daniel; Well, Reinhard; Lewicka-Szczebak, Dominika; Lena, Rohe

    2013-04-01

    The measurement of denitrification in soils and aquifers is still challenging and often enough associated with considerable experimental effort and high costs. Against this background, the acetylene inhibition technique (AIT) applied in laboratory soil and groundwater denitrification assays is by far the most effective approach. However, this method has been largely criticized, as it is susceptible to underestimate denitrification rates and adds an additional carbon source to the substrates to be investigated. Here we provide evidence that the AIT is not necessarily an inappropriate approach to measure denitrification, that its reliability depends on the drivers governing the process, and that the 15N site preference of N2O (SP) may serve as a tool to assess this reliability. Two laboratory batch experiments were conducted, where sandy aquifer material and a peat soil were incubated as slurries. We established (i) a standard anaerobic treatment by adding KNO3 (10 mg N L-1), (ii) an oxygen treatment by adding KNO3 and O2 (5 mg L-1), and (iii) a glucose treatment by adding KNO3 supplemented with glucose (200 mg C L-1). Both experiments were run under 10 % (v/v) acetylene atmosphere and as 15N tracer treatments using labeled K15NO3 (60 atom % 15N). In the case of the standard anaerobic treatments, we found a very good agreement of denitrification potential obtained by the AIT and 15N tracer methods. SP of N2O of the AIT samples from this treatment ranged between -4.8 and 2.6 ‰ which is indicative for N2O production during bacterial denitrification but not for N2O reduction to N2. In contrast, we observed substantial underestimation of denitrification by AIT for the glucose treatments compared to the 15N method, i.e. denitrification was underestimated by 36 % (sandy aquifer material) and 47 % (peat soil). SP of N2O of the AIT samples from this treatment ranged between 4.5 and 9.6 ‰, which suggests occurrence of bacterial N2O reduction. In the case of the oxygen

  11. Secondary Organic Aerosol Formation from Acetylene (C2H2: seed effect on SOA yields due to organic photochemistry in the aerosol aqueous phase

    Directory of Open Access Journals (Sweden)

    P. J. Ziemann

    2009-03-01

    Full Text Available The lightest Non Methane HydroCarbon (NMHC, i.e., acetylene (C2H2 is found to form secondary organic aerosol (SOA. Contrary to current belief, the number of carbon atoms, n, for a NMHC to act as SOA precursor is lowered to n=2 here. The OH-radical initiated oxidation of C2H2 forms glyoxal (CHOCHO as the highest yield product, and >99% of the SOA from C2H2 is attributed to CHOCHO. SOA formation from C2H2 and CHOCHO was studied in a photochemical and a dark simulation chamber. Further, the experimental conditions were varied with respect to the chemical composition of the seed aerosols, mild acidification with sulphuric acid (SA, 3

  12. Vibration-rotation alchemy in acetylene (12C2H2), ? at low vibrational excitation: from high resolution spectroscopy to fast intramolecular dynamics

    Science.gov (United States)

    Perry, David S.; Miller, Anthony; Amyay, Badr; Fayt, André; Herman, Michel

    2010-04-01

    The link between energy-resolved spectra and time-resolved dynamics is explored quantitatively for acetylene (12C2H2), ? with up to 8600 cm-1 of vibrational energy. This comparison is based on the extensive and reliable knowledge of the vibration-rotation energy levels and on the model Hamiltonian used to fit them to high precision [B. Amyay, S. Robert, M. Herman, A. Fayt, B. Raghavendra, A. Moudens, J. Thiévin, B. Rowe, and R. Georges, J. Chem. Phys. 131, 114301 (2009)]. Simulated intensity borrowing features in high resolution absorption spectra and predicted survival probabilities in intramolecular vibrational redistribution (IVR) are first investigated for the v 4 + v 5 and v 3 bright states, for J = 2, 30 and 100. The dependence of the results on the rotational quantum number and on the choice of vibrational bright state reflects the interplay of three kinds of off-diagonal resonances: anharmonic, rotational l-type, and Coriolis. The dynamical quantities used to characterize the calculated time-dependent dynamics are the dilution factor φ d, the IVR lifetime τ IVR , and the recurrence time τ rec. For the two bright states v 3 + 2v 4 and 7v 4, the collisionless dynamics for thermally averaged rotational distributions at T = 27, 270 and 500 K were calculated from the available spectroscopic data. For the 7v 4 bright state, an apparent irreversible decay of is found. In all cases, the model Hamiltonian allows a detailed calculation of the energy flow among all of the coupled zeroth-order vibration-rotation states.

  13. Non-covalent C-Cl…π interaction in acetylene-carbon tetrachloride adducts: Matrix isolation infrared and ab initio computational studies

    Science.gov (United States)

    Ramanathan, N.; Sundararajan, K.; Vidya, K.; Jemmis, Eluvathingal D.

    2016-03-01

    Non-covalent halogen-bonding interactions between π cloud of acetylene (C2H2) and chlorine atom of carbon tetrachloride (CCl4) have been investigated using matrix isolation infrared spectroscopy and quantum chemical computations. The structure and the energies of the 1:1 C2H2-CCl4 adducts were computed at the B3LYP, MP2 and M05-2X levels of theory using 6-311 ++G(d,p) basis set. The computations indicated two minima for the 1:1 C2H2-CCl4 adducts; with the C-Cl…π adduct being the global minimum, where π cloud of C2H2 is the electron donor. The second minimum corresponded to a C-H…Cl adduct, in which C2H2 is the proton donor. The interaction energies for the adducts A and B were found to be nearly identical. Experimentally, both C-Cl…π and C-H…Cl adducts were generated in Ar and N2 matrixes and characterized using infrared spectroscopy. This is the first report on halogen bonded adduct, stabilized through C-Cl…π interaction being identified at low temperatures using matrix isolation infrared spectroscopy. Atoms in Molecules (AIM) and Natural Bond Orbital (NBO) analyses were performed to support the experimental results. The structures of 2:1 ((C2H2)2-CCl4) and 1:2 (C2H2-(CCl4)2) multimers and their identification in the low temperature matrixes were also discussed.

  14. Characteristics of Carbon Material Formation on SBA-15 and Ni-SBA-15 Templates by Acetylene Decomposition and Their Bioactivity Effects

    Directory of Open Access Journals (Sweden)

    Hsiu-Mei Chiang

    2016-05-01

    Full Text Available Carbon spheres and tubes were formed from acetylene decomposition on SBA-15 and Ni-SBA-15 at 650–850 °C. At 650 °C, the decomposed carbons covered the surface of the support, and no carbon spheres and filament materials were formed. Carbon sphere formation occurred at 750 °C–850 °C; with diameters ranging from 0.8 μm–1.1 μm. For Ni-SBA-15, the diameters of the spheres and filaments were 0.8 μm and 62 nm, respectively, at 650 °C. At 750 °C, the diameter of the ball carbon materials ranged from 0.7 μm–0.8 μm, the diameter of the carbon tubes formed was 120–130 nm, and their pore diameter was 8.0 nm–11 nm. At 850 °C, the diameters of ball carbon materials and carbon tubes were similar to those of the materials at the formation temperature, 750 °C. Si, O and C were the main constituents of SBA-15; Ni-SBA-15 and carbon material formation supports. High-ring PAHs (such as BaP (five rings; IND (six rings; DBA (five rings and B[ghi]P (six rings exist in carbon materials. SBA-15 revealed insignificant cytotoxicity, but Ni-SBA-15 inhibited the proliferation of human lung cancer cells (A549. Less inhibition on cell viability and reactive oxidative species (ROS generation on A549 were determined for carbon material formation on the Ni-SBA-15 compared to the Ni-SBA-15.

  15. Gaseous nitrogen losses from field plots grown with pea (Pisum sativum L.) or spring barley (Hordeum vulgare L.) estimated by 15N mass balance and acetylene inhibition techniques

    DEFF Research Database (Denmark)

    Bertelsen, F.; Jensen, E.S.

    1992-01-01

    by the acetylene-inhibition technique were negligible. A substantial amount of fertilizer N was unaccounted for by the N-15 mass balance, especially in the pea plots. The loss took place during the period of grain-filling in which no leaching occurred, and was accompanied by a decrease in N-15 content...... of the plants. Volatilization of ammonia from the aerial parts of the plants is a possible explanation of the observed loss. An estimation of denitrification relying only on the N-15 mass balance would have resulted in an overestimation of denitrification....

  16. Novel mode of 2-fold interpenetration observed in a primitive cubic network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n.

    Science.gov (United States)

    Scott, Hayley S; Bajpai, Alankriti; Chen, Kai-Jie; Pham, Tony; Space, Brian; Perry, John J; Zaworotko, Michael J

    2015-10-14

    A primitive cubic (pcu) network of formula [Ni(1,2-bis(4-pyridyl)acetylene)2(Cr2O7)]n, , has been synthesised and found to exhibit a novel type of inclined 2-fold interpenetration and an isosteric heat of adsorption (Q(st)) of 30.5 kJ mol(-1) towards CO2 at zero loading. Q(st) is relatively high in the broad context but less than that observed in related hybrid ultramicroporous materials, a feature that can be understood after studying pore structure and molecular simulations of CO2 adsorption. PMID:26307270

  17. Pharmacokinetics and pharmacodynamics of orally administered acetylenic tricyclic bis(cyanoenone), a highly potent Nrf2 activator with a reversible covalent mode of action

    Energy Technology Data Exchange (ETDEWEB)

    Kostov, Rumen V.; Knatko, Elena V.; McLaughlin, Lesley A.; Henderson, Colin J. [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, DD1 9SY, Scotland (United Kingdom); Zheng, Suqing [Department of Chemistry and Institute of Chemical Biology & Drug Discovery, Stony Brook University, Stony Brook, NY, 11794 (United States); Huang, Jeffrey T.-J. [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, DD1 9SY, Scotland (United Kingdom); Honda, Tadashi [Department of Chemistry and Institute of Chemical Biology & Drug Discovery, Stony Brook University, Stony Brook, NY, 11794 (United States); Dinkova-Kostova, Albena T., E-mail: a.dinkovakostova@dundee.ac.uk [Jacqui Wood Cancer Centre, Division of Cancer Research, Medical Research Institute, University of Dundee, Dundee, DD1 9SY, Scotland (United Kingdom); Department of Medicine, Johns Hopkins University School of Medicine, Baltimore, MD, 21205 (United States); Department of Pharmacology and Molecular Sciences, Johns Hopkins University School of Medicine, Baltimore, MD, 21205 (United States)

    2015-09-25

    The acetylenic tricyclic bis(cyanoenone) TBE-31 is a highly potent cysteine targeting compound with a reversible covalent mode of action; its best-characterized target being Kelch-like ECH-associated protein-1 (Keap1), the cellular sensor for oxidants and electrophiles. TBE-31 reacts with cysteines of Keap1, impairing its ability to target nuclear factor-erythroid 2 p45-related factor 2 (Nrf2) for degradation. Consequently, Nrf2 accumulates and orchestrates cytoprotective gene expression. In this study we investigated the pharmacokinetic and pharmacodynamic properties of TBE-31 in C57BL/6 mice. After a single oral dose of 10 μmol/kg (∼200 nmol/animal), the concentration of TBE-31 in blood exhibited two peaks, at 22.3 nM and at 15.5 nM, 40 min and 4 h after dosing, respectively, as determined by a quantitative stable isotope dilution LC-MS/MS method. The AUC{sub 0–24h} was 195.5 h/nmol/l, the terminal elimination half-life was 10.2 h, and the k{sub el} was 0.068 h{sup −1}. To assess the pharmacodynamics of Nrf2 activation by TBE-31, we determined the enzyme activity of its prototypic target, NAD(P)H:quinone oxidoreductase 1 (NQO1) and found it elevated by 2.4- and 1.5-fold in liver and heart, respectively. Continuous feeding for 18 days with diet delivering the same daily doses of TBE-31 under conditions of concurrent treatment with the immunosuppressive agent azathioprine had a similar effect on Nrf2 activation without any indications of toxicity. Together with previous reports showing the cytoprotective effects of TBE-31 in animal models of carcinogenesis, our results demonstrate the high potency, efficacy and suitability for chronic administration of cysteine targeting reversible covalent drugs. - Highlights: • TBE-31 is a cysteine targeting compound with a reversible covalent mode of action. • After a single oral dose, the blood concentration of TBE-31 exhibits two peaks. • Oral TBE-31 is a potent activator of Nrf2-dependent enzymes in

  18. Pharmacokinetics and pharmacodynamics of orally administered acetylenic tricyclic bis(cyanoenone), a highly potent Nrf2 activator with a reversible covalent mode of action

    International Nuclear Information System (INIS)

    The acetylenic tricyclic bis(cyanoenone) TBE-31 is a highly potent cysteine targeting compound with a reversible covalent mode of action; its best-characterized target being Kelch-like ECH-associated protein-1 (Keap1), the cellular sensor for oxidants and electrophiles. TBE-31 reacts with cysteines of Keap1, impairing its ability to target nuclear factor-erythroid 2 p45-related factor 2 (Nrf2) for degradation. Consequently, Nrf2 accumulates and orchestrates cytoprotective gene expression. In this study we investigated the pharmacokinetic and pharmacodynamic properties of TBE-31 in C57BL/6 mice. After a single oral dose of 10 μmol/kg (∼200 nmol/animal), the concentration of TBE-31 in blood exhibited two peaks, at 22.3 nM and at 15.5 nM, 40 min and 4 h after dosing, respectively, as determined by a quantitative stable isotope dilution LC-MS/MS method. The AUC0–24h was 195.5 h/nmol/l, the terminal elimination half-life was 10.2 h, and the kel was 0.068 h−1. To assess the pharmacodynamics of Nrf2 activation by TBE-31, we determined the enzyme activity of its prototypic target, NAD(P)H:quinone oxidoreductase 1 (NQO1) and found it elevated by 2.4- and 1.5-fold in liver and heart, respectively. Continuous feeding for 18 days with diet delivering the same daily doses of TBE-31 under conditions of concurrent treatment with the immunosuppressive agent azathioprine had a similar effect on Nrf2 activation without any indications of toxicity. Together with previous reports showing the cytoprotective effects of TBE-31 in animal models of carcinogenesis, our results demonstrate the high potency, efficacy and suitability for chronic administration of cysteine targeting reversible covalent drugs. - Highlights: • TBE-31 is a cysteine targeting compound with a reversible covalent mode of action. • After a single oral dose, the blood concentration of TBE-31 exhibits two peaks. • Oral TBE-31 is a potent activator of Nrf2-dependent enzymes in multiple organs.

  19. Crossed beam reaction of the cyanogen radical, CN(X 2Σ+), with acetylene, C2H2(X 1Σg+): Observation of cyanoacetylene, HCCCN(X 1Σ+)

    Science.gov (United States)

    Huang, L. C. L.; Lee, Y. T.; Kaiser, R. I.

    1999-04-01

    The chemical dynamics to cyanoacetylene, HCCCN(X 1Σ+), formation via the neutral-neutral reaction of cyanogen, CN(X 2Σ+), with acetylene, C2H2(X 1Σg+), is investigated in a crossed molecular beams experiment at a collision energy of 21.1 kJ mol-1. The laboratory angular distribution and time-of-flight spectra of the HCCCN product are recorded at m/e=51 and 50. Forward-convolution fitting of our data reveals that the reaction dynamics are governed by an initial attack of the CN radical to the π electron density of the acetylene molecule to form a HCCHCN collision complex on the 2A' surface. The four heavy atoms are rotating in plane almost perpendicular to the total angular momentum vector J around the C axis of the complex which undergoes C-H bond rupture through a tight transition state to HCCCN and H. The H atom is emitted almost perpendicular to the HCCCN axis to yield a nearly "sideways" peaking of T(θ). The explicit identification of the cyanoacetylene reaction product represents a solid background for the title reaction to be included with more confidence in reaction networks modeling the chemistry in dark, molecular clouds, outflow of dying carbon stars, hot molecular cores, as well as the atmosphere of hydrocarbon rich planets and satellites such as the Saturnian moon Titan.

  20. Surrogate model of acetylene hydrogenation reactor based on bootstrap GEI algorithm%基于bootstrap GEI算法的碳二加氢反应器代理模型

    Institute of Scientific and Technical Information of China (English)

    段星辰; 杜文莉

    2015-01-01

    Acetylene hydrogenation reactor is an important device of the ethylene plant, and its working condition directly affects the purity and yield of ethylene products, so it is of great significance to improve the modeling and optimization efficiency of the reaction process for acetylene hydrogenation. However, directly optimizing high precision CFD models are often low efficiency because of the large calculation. This paper from the model accuracy of prediction variance and improvement of the effectiveness of global search, proposes a bootstrap GEI algorithm based on Kriging surrogate model. Through simulation contrast of test functions, compared with bootstrap EI algorithm, this algorithm can find the optimal sample points of global search and reduce the number of sample points, so as to improve the efficiency of the model updating and optimization. And this algorithm is effectively validated in the surrogate model of acetylene hydrogenation reactor.%碳二加氢反应器是乙烯工厂的一个重要装置,其运行状况直接影响着乙烯产品的纯度和产量,因此,提高碳二加氢反应过程的建模和优化效率对于工业实际具有重要意义.但是,直接对碳二加氢反应器的CFD高精度分析模型进行优化,计算量大,优化效率非常低.本文从模型预测方差准确性和提高全局搜索的有效性出发,基于Kriging代理模型,提出了一种求取无偏预测方差的广义期望提高算法——bootstrap GEI算法,通过测试函数的仿真对比,与bootstrap EI算法相比,该算法能够从全局角度搜索最优样本点,减少样本点的个数,从而提高模型更新和优化效率.该算法在实际工业碳二加氢等温反应器的代理模型中也得到了有效验证.

  1. Clinical Research of Desogestrel Acetylene Estrone Be Used for Artificial Abortion Postoperative%去氧孕烯炔雌醇片用于人工流产术后的临床研究

    Institute of Scientific and Technical Information of China (English)

    尹佳苓; 宋文侠

    2016-01-01

    目的:探究人工流产术后即刻为患者口服去氧孕烯炔雌醇片(妈富隆)的临床效果。方法择取2013年10月~2015年12月我院产科人工流产手术患者220例作为研究对象,将患者随机分成研究组和对照组,每组各110例。研究组患者在人工流产术后立即口服妈富隆,抗生素,以及益母草颗粒,对照组患者术后仅服用抗生素和益母草颗粒,比较两组患者的临床疗效。结果研究组患者在阴道流血量、阴道流血持续时间、月经周期恢复情况、并发症发生率、避孕效果,以及术后并发症等临床指标均优于对照组。结论为行人工流产手术患者术后立即服用短效避孕药妈富隆,能够取得较好临床效果。%Objective To study the clinical effect of explore artificial abortion for patients with oral immediately after desogestrel acetylene estrone(ma fulong). MethodsFrom October 2013 to December 2015 in our hospital obstetrics abortion 220 patients as the research object,the patients were randomly divided into study group and control group,110 cases in each group. The study of oral antibiotics immediately after artificial abortion group with desogestrel acetylene estrone,and motherwort granule,control group patients only taking antibiotics and motherwort granule,clinical curative effect of two groups were compared.Results The patients in the study group the amount of vaginal bleeding,vaginal bleeding duration,menstrual cycle recovery,complication rate,contraceptive effect,and postoperative complications and other clinical indicators are better than the control group. Conclusion For patients with artificial abortion operation immediately after taking short acting contraceptives to desogestrel acetylene estrone. Enough to achieve good clinical results.

  2. Facile, soot free approach toward synthesis of carbon nanoropes via chemical vapor deposition of acetylene in the presence of MnFe2O4 coated on stainless steel

    Science.gov (United States)

    Dhand, Vivek; Bharadwaj, S.; Amareshwari, K.; Himabindu, V.; Rhee, Kyong Yop; Park, Soo-Jin; Hui, David

    2015-12-01

    High density, soot free, novel and a facile approach toward synthesis of carbon nanoropes (CNRs) were successfully carried out in a chemical vapor deposition (CVD) process. Manganese ferrite (MnFe2O4) coated on stainless steel foil (SS 316 grade) was used as a catalyst to initiate the growth of CNR. The coated catalyst was introduced into the CVD and the chamber temperature was set at 700 °C later followed with the release of acetylene (50 sccm) and nitrogen (500 sccm) gas, respectively. Total reaction continued until 30 min. No purification or oxidation process of the soot was involved. Analysis reveals the presence of intermingled CNRs with semi crystalline nature of the sample. The elemental analysis confirms the presence of manganese and iron whereas Raman spectrum shows the characteristic narrow G and D bands. The sample displays a super-paramagnetic behavior and is thermally stable up to 500-550 °C presenting a strong exothermic reaction.

  3. 乙炔法聚氯乙烯生产减少汞排放的“最佳环境实践”%Mercury Emission Control in Acetylene-route PVC Production

    Institute of Scientific and Technical Information of China (English)

    于建国

    2011-01-01

    “最佳环境实践”是国际上普遍推行的旨在减少和控制目标领域和场所环境污染与健康危害的综合管理手段。文中论述了我国乙炔法聚氯乙烯生产中汞使用和排放的“最佳环境实践”,并提出了建议。%World mercury annual consumption is 1,6 kt. China annual mercury consumption in acetylene-route PVC production is 67 ton. Mercury pollution in China is considered to be one of the focal points worldwide. The negotiation committee has been established amon

  4. 气相色谱法测定液氧中乙炔含量的试验研究%Experimental Study on the Measurement of the Content of Acetylene in Liquid Oxygen with Gas Chromatographic Method

    Institute of Scientific and Technical Information of China (English)

    2013-01-01

    The space division workshop of oxygen generation plant in a company adopts gas chromatographic method to determine the content of acetylene in liquid oxygen instead of the original visual colorimetric method, and through the comparison of the experimental data, the accuracy of gas chromatographic method analysis is raised substantially, which guarantees safety in production.%  某公司制氧厂空分车间原来采用目视比色法测定液氧中乙炔的含量,存在工艺复杂,消耗试剂多,误差大等缺点。采用气相色谱法代替原来的目视比色法,经试验数据对比,气相色谱法分析准确度大幅度提高,有效的保障了安全生产。

  5. Role of the reaction intermediates in determining PHIP (parahydrogen induced polarization) effect in the hydrogenation of acetylene dicarboxylic acid with the complex [Rh (dppb)]{sup +} (dppb: 1,4-bis(diphenylphosphino)butane)

    Energy Technology Data Exchange (ETDEWEB)

    Reineri, F.; Aime, S. [Department of Molecular Biotechnologies and Health Sciences, University of Torino, Via Nizza 52, 10123 Torino (Italy); Gobetto, R.; Nervi, C. [Department of Chemistry, University of Torino, via P. Giuria 7, 10125 Torino (Italy)

    2014-03-07

    This study deals with the parahydrogenation of the symmetric substrate acetylene dicarboxylic acid catalyzed by a Rh(I) complex bearing the chelating diphosphine dppb (1,4-bis(diphenylphosphino)butane). The two magnetically equivalent protons of the product yield a hyperpolarized emission signal in the {sup 1}H-NMR spectrum. Their polarization intensity varies upon changing the reaction solvent from methanol to acetone. A detailed analysis of the hydrogenation pathway is carried out by means of density functional theory calculations to assess the structure of hydrogenation intermediates and their stability in the two solvents. The observed polarization effects have been accounted on the basis of the obtained structures. Insights into the lifetime of a short-lived reaction intermediate are also obtained.

  6. Peut-on envisager le remplacement de l'éthylène par l'acétylène à moyen terme ? Can the Substitution of Ethylene by Acetylene Be Imagined in the Medium Term?

    Directory of Open Access Journals (Sweden)

    Lefebvre G.

    2006-11-01

    Full Text Available L'accroissement considérable depuis 1973 du coût des énergies fossiles, notamment du pétrole, a fortement contribué au renchérissement du prix de l'éthylène alors que parallèlement l'acétylène fabriqué au départ de carbure de calcium ou par arc électrique pouvait espérer bénéficier d'un coût relatif plus faible de l'énergie électrique d'origine nucléaire. II ressort de la présente étude que malgré les hypothèses favorables suivantes : - taux de croissance moyen du prix du pétrole à monnaie constante 1982 de 7 % par an, - augmentation de celui du charbon limitée à 3 % par an, - énergie électrique disponible en permanence à 5 et 10 c/kWh, - capacité unitaire de production d'acétylène de l'ordre de 300 000 t/an comparable à celle de l'éthylène, il apparaît impossible que l'acétylène puisse concurrencer l'éthylène avant l'an 2000. Seul le chlorure de vinyle pourrait être fabriqué à partir d'acétylène favorisé par un important facteur d'échelle, à condition que l'électricité puisse être alimentée en permanence à 0,10 F le kWh. Cette constatation ne tient pas compte de la remise en cause des procédés pétrochimiques actuels d'obtention des intermédiaires de seconde génération dont la fabrication à partir d'acétylène nécessiterait la création d'installations de conception entièrement différente. Alors qu'en 1975 les procédés à l'arc électrique de production d'acétylène à partir de naphta apparaissaient plus économiques que la voie carbure de calcium, on constate actuellement une situation inverse, consécutive aux augmentations de prix du pétrole qui ont suivi. The considerable increase in the cost of fossil energy sources since 1973, and especially that of oil, has greatly helped drive up the price of ethylene, whereas at the same time acetylene manufactured initially from calcium carbide or by electric arc could have hoped to profit from the relative low price of electric

  7. A Novel Multi-Point Fiber Optics Acetylene Sensing System Based on Dense Wavelength Division Multiplexers%基于波分复用的多点光纤乙炔传感系统

    Institute of Scientific and Technical Information of China (English)

    余贶琭; 吴重庆; 郭旋; 王智; 石梅荣; 武文彬

    2011-01-01

    The Beer-Lambert law, taking into account the pressure broadening of the absorption lines function is analyzed, then it is used for multi-point acetylene gas detection. A fiber optical multi-point acetylene sensing system using dense wavelength division multiplexers, which takes advantage of different absorption lines to tag different probes in the system, is put forward. This system is easy to build and operate, while it does not need to modulate the light source. In addition, the system has a much smaller system loss and cross talks as the consequences of employing the dense wavelength division multiplexers. Theoretical results show that the maximum sensor number of the system is eighteen with a 0.5 % sensitivity using the absorption lines from 1510 to 1540 nm. A three-point sensing system is experimentally demonstrated and the errors of the measured results are within 1.8 %.%理论分析了考虑吸收线型函数展宽时的Beer-Lambert定律,作了进一步推导并应用于多点乙炔气体监测.提出一种采用波分复用器、利用吸收峰区分不同传感点的多点光纤乙炔传感系统,系统简单易操作,无需对光源进行调制,且系统损耗与串扰小.理论分析表明当目标检测灵敏度为0.5%时,在1510~1540 nm范围内该系统最大可监测18个传感点.搭建了一个3个监测点的乙炔传感系统并验证了上述理论的可行性,各传感点的测量误差均小于1.8%.

  8. Crossed beam reaction of cyano radicals with hydrocarbon molecules. IV. Chemical dynamics of cyanoacetylene (HCCCN; X 1Σ+) formation from reaction of CN(X 2Σ+) with acetylene, C2H2(X 1Σg+)

    Science.gov (United States)

    Huang, L. C. L.; Asvany, O.; Chang, A. H. H.; Balucani, N.; Lin, S. H.; Lee, Y. T.; Kaiser, R. I.; Osamura, Y.

    2000-11-01

    The chemical reaction dynamics to form cyanoacetylene, HCCCN (X 1Σ+), via the radical-neutral reaction of cyano radicals, CN(X 2Σ+;ν=0), with acetylene, C2H2(X 1Σg+), are unraveled in crossed molecular beam experiments at two collision energies of 21.1 and 27.0 kJ mol-1. Laboratory angular distributions and time-of-flight spectra of the HCCCN product are recorded at m/e=51 and 50. Experiments were supplemented by electronic structure calculations on the doublet C3H2N potential energy surface and RRKM investigations. Forward-convolution fitting of the crossed beam data combined with our theoretical investigations shows that the reaction has no entrance barrier and is initiated by an attack of the CN radical to the π electron density of the acetylene molecule to form a doublet cis/trans HCCHCN collision complex on the 2A' surface via indirect reactive scattering dynamics. Here 85% of the collision complexes undergo C-H bond rupture through a tight transition state located 22 kJ mol-1 above the cyanoacetylene, HCCCN (X 1Σ+) and H(2S1/2) products (microchannel 1). To a minor amount (15%) trans HCCHCN shows a 1,2-H shift via a 177 kJ mol-1 barrier to form a doublet H2CCCN radical, which is 46 kJ mol-1 more stable than the initial reaction intermediate (microchannel 2). The H2CCCN complex decomposes via a rather loose exit transition state situated only 7 kJ mol-1 above the reaction products HCCCN (X 1Σ+) and H(2S1/2). In both cases the geometry of the exit transition states is reflected in the observed center-of-mass angular distributions showing a mild forward/sideways peaking. The explicit identification of the cyanoacetylene as the only reaction product represents a solid background for the title reaction to be included in reaction networks modeling the chemistry in dark, molecular clouds, outflow of dying carbon stars, hot molecular cores, as well as the atmosphere of hydrocarbon rich planets and satellites such as the Saturnian moon Titan.

  9. The role of isovalency in the reactions of the cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H) radicals with unsaturated hydrocarbons acetylene (C2H2) and ethylene (C2H4).

    Science.gov (United States)

    Parker, D S N; Mebel, A M; Kaiser, R I

    2014-04-21

    The classification of chemical reactions based on shared characteristics is at the heart of the chemical sciences, and is well exemplified by Langmuir's concept of isovalency, in which 'two molecular entities with the same number of valence electrons have similar chemistries'. Within this account we further investigate the ramifications of the isovalency of four radicals with the same X(2)Σ(+) electronic structure - cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H), and their reactions with simple prototype hydrocarbons acetylene (C2H2) and ethylene (C2H4). The fact that these four reactants own the same X(2)Σ(+) electronic ground state should dictate the outcome of their reactions with prototypical hydrocarbons holding a carbon-carbon triple and double bond. However, we find that other factors come into play, namely, atomic radii, bonding orbital overlaps, and preferential location of the radical site. These doublet radical reactions with simple hydrocarbons play significant roles in extreme environments such as the interstellar medium and planetary atmospheres (CN, SiN and C2H), and combustion flames (C2H, BO). PMID:24418936

  10. Application of the 15N gas-flux method for measuring in situ N2 and N2O fluxes due to denitrification in natural and semi-natural terrestrial ecosystems and comparison with the acetylene inhibition technique

    Science.gov (United States)

    Sgouridis, Fotis; Stott, Andrew; Ullah, Sami

    2016-03-01

    Soil denitrification is considered the most un-constrained process in the global N cycle due to uncertain in situ N2 flux measurements, particularly in natural and semi-natural terrestrial ecosystems. 15N tracer approaches can provide in situ measurements of both N2 and N2O simultaneously, but their use has been limited to fertilized agro-ecosystems due to the need for large 15N additions in order to detect 15N2 production against the high atmospheric N2. For 15N-N2 analyses, we have used an "in-house" laboratory designed and manufactured N2 preparation instrument which can be interfaced to any commercial continuous flow isotope ratio mass spectrometer (CF-IRMS). The N2 prep unit has gas purification steps and a copper-based reduction furnace, and allows the analysis of small gas injection volumes (4 µL) for 15N-N2 analysis. For the analysis of N2O, an automated Tracegas Preconcentrator (Isoprime Ltd) coupled to an IRMS was used to measure the 15N-N2O (4 mL gas injection volume). Consequently, the coefficient of variation for the determination of isotope ratios for N2 in air and in standard N2O (0.5 ppm) was better than 0.5 %. The 15N gas-flux method was adapted for application in natural and semi-natural land use types (peatlands, forests, and grasslands) by lowering the 15N tracer application rate to 0.04-0.5 kg 15N ha-1. The minimum detectable flux rates were 4 µg N m-2 h-1 and 0.2 ng N m-2 h-1 for the N2 and N2O fluxes respectively. Total denitrification rates measured by the acetylene inhibition technique in the same land use types correlated (r = 0.58) with the denitrification rates measured under the 15N gas-flux method, but were underestimated by a factor of 4, and this was partially attributed to the incomplete inhibition of N2O reduction to N2, under a relatively high soil moisture content, and/or the catalytic NO decomposition in the presence of acetylene. Even though relatively robust for in situ denitrification measurements, methodological

  11. Synthesis of nano-carbon materials by decomposing acetylene using iron supported on sodium chloride as catalyst%NaCl担载Fe催化裂解乙炔制备纳米碳材料

    Institute of Scientific and Technical Information of China (English)

    王存景; 王艳博; 陈改荣

    2011-01-01

    Nano-carbon materials were synthesized by the catalytic decomposition of acetylene at 400 ℃ and 420℃ in a chemical vapor deposition process using iron supported on sodium chloride as catalyst Hie catalyst was examined by X-ray diffraction,scanning electron microscopy and energy dispersive spectroscopy. The results show that the active composition iron was dispersed into nanoparticles with diameters in the range 10-40 nm on the surface of NaCl support successfully. The products were examined by scanning electron microscopy and high resolution transmission electron microscopy. The results show that nano onion-like fullerenes encapsulating Fe cores with diameters in the range 20-50 nm were obtained when the reaction temperature was 400℃ and there were no carbon nanotubes in the product These onion-like fullerenes are composed of concentric graphene layers with an interlayer distance of 0. 348 nm between the layers. When the reaction temperature was 420℃ , carbon nanotubes with a structure of rope were obtained and the graphitization degree of these carbon nanotubes was not high due to the low reaction temperature.%以水溶性NaCl担载Fe作催化剂,于400℃和420C下化学气相沉积法催化裂解乙炔进行了反应.通过X射线衍射仪、扫描电子显微镜和能谱分析仪对催化剂进行了表征,表征结果显示:活性组分Fe被分散成了粒径在10~40nm之间的纳米颗粒;通过扫描电子显微镜和高分辨透射电镜对产物进行了表征,表征结果显示:当裂解温度为400℃时,主要产物为直径在20~50 nm之间,基本具有清晰同心石墨壳层结构的内包铁NOLFs,同心石墨壳层的层间距约为0.348nm,产物中没有碳纳米管出现;当裂解温度为420℃时,主要产物为直径在10 ~40 nm之间结构呈绳结状的碳纳米管,其石墨壳层不是十分规整,石墨化程度较低.

  12. Syntheses and studies of acetylenic polymers

    Energy Technology Data Exchange (ETDEWEB)

    Yiwei, Ding

    1994-03-03

    Based on new diiodo aryl compounds a series of novel soluble polymers, poly(2,5-dialkoxy-1,4-phenyleneethynylene)s (PPE polymers) were synthesized using palladium-catalysis. The molecular weights (MW) range from 8,000 to 40,000. Properties such as absorption, fluorescence, and conductivity were studied. A PPE polymer with butoxy side chain exhibits a weak electrical conductivity ({sigma} = 10{sup {minus}3} S/cm) after doping with AsF{sub 5}. Absorption spectra in THF solution at room temperature (RT) show a maximum at 440 nm. However, absorption spectra of PPE polymers in the film state at (RT) show a maximum at 480 nm. PPE polymer-based light emitting diode (LED) devices have been prepared; greenish light from these LED devices can be observed. Poly(ethynylene-p-arylene-ethynylene-silylene)s were synthesized through the same palladium-catalyzed polymerization; MWs are between 6,000 and 82,000. Absorption and fluorescence were studied. Some of these polymers exhibit thermotropic liquid crystalline properties. In addition, nonlinear optical properties were briefly examined. Poly(silylene-ethynylene) homopolymers as well as alternating copolymers were synthesized through a novel palladium-catalyzed polymerization; MWs range from 56 {times} 10{sup 3} to 5.3 {times} 10{sup 3}. Thermal stability of these was also investigated; char yields range from 56 to 83%. One of these polymers exhibits thermotropic liquid crystalline properties.

  13. Application of the 15N-Gas Flux method for measuring in situ N2 and N2O fluxes due to denitrification in natural and semi-natural terrestrial ecosystems and comparison with the acetylene inhibition technique

    Science.gov (United States)

    Sgouridis, F.; Ullah, S.; Stott, A.

    2015-08-01

    Soil denitrification is considered the most un-constrained process in the global N cycle due to uncertain in situ N2 flux measurements, particularly in natural and semi-natural terrestrial ecosystems. 15N tracer approaches can provide in situ measurements of both N2 and N2O simultaneously, but their use has been limited to fertilised agro-ecosystems due to the need for large 15N additions in order to detect 15N2 production against the high atmospheric N2. For 15N-N2 analyses, we have used an "in house" laboratory designed and manufactured N2 preparation instrument which can be interfaced to any commercial continuous flow isotope ratio mass spectrometer (CF-IRMS). The N2 prep unit has gas purification steps, a copper based reduction furnace, and allows the analysis of small gas injection volumes (4 μL) for 15N-N2 analysis. For the analysis of N2O, an automated Tracegas Pre-concentrator (Isoprime Ltd) coupled to an IRMS was used to measure the 15N-N2O (4 mL gas injection volume). Consequently, the coefficient of variation for the determination of isotope ratios for N2 in air and in standard N2O (0.5 ppm) was better than 0.5 %. The 15N Gas-Flux method was adapted for application in natural and semi-natural land use types (peatlands, forests and grasslands) by lowering the 15N tracer application rate to 0.04-0.5 kg 15N ha-1. For our chamber design (volume / surface = 8:1) and a 20 h incubation period, the minimum detectable flux rates were 4 μg N m-2 h-1 and 0.2 ng N m-2 h-1 for the N2 and N2O fluxes respectively. The N2 flux ranged between 2.4 and 416.6 μg N m-2 h-1, and the grassland soils showed on average 3 and 14 times higher denitrification rates than the woodland and organic soils respectively. The N2O flux was on average 20 to 200 times lower than the N2 flux, while the denitrification product ratio (N2O/N2 + N2O) was low, ranging between 0.03 and 13 %. Total denitrification rates measured by the acetylene inhibition technique under the same field conditions

  14. Application of the 15N-Gas Flux method for measuring in situ N2 and N2O fluxes due to denitrification in natural and semi-natural terrestrial ecosystems and comparison with the acetylene inhibition technique

    Directory of Open Access Journals (Sweden)

    F. Sgouridis

    2015-08-01

    Full Text Available Soil denitrification is considered the most un-constrained process in the global N cycle due to uncertain in situ N2 flux measurements, particularly in natural and semi-natural terrestrial ecosystems. 15N tracer approaches can provide in situ measurements of both N2 and N2O simultaneously, but their use has been limited to fertilised agro-ecosystems due to the need for large 15N additions in order to detect 15N2 production against the high atmospheric N2. For 15N-N2 analyses, we have used an "in house" laboratory designed and manufactured N2 preparation instrument which can be interfaced to any commercial continuous flow isotope ratio mass spectrometer (CF-IRMS. The N2 prep unit has gas purification steps, a copper based reduction furnace, and allows the analysis of small gas injection volumes (4 μL for 15N-N2 analysis. For the analysis of N2O, an automated Tracegas Pre-concentrator (Isoprime Ltd coupled to an IRMS was used to measure the 15N-N2O (4 mL gas injection volume. Consequently, the coefficient of variation for the determination of isotope ratios for N2 in air and in standard N2O (0.5 ppm was better than 0.5 %. The 15N Gas-Flux method was adapted for application in natural and semi-natural land use types (peatlands, forests and grasslands by lowering the 15N tracer application rate to 0.04–0.5 kg 15N ha−1. For our chamber design (volume / surface = 8:1 and a 20 h incubation period, the minimum detectable flux rates were 4 μg N m−2 h−1 and 0.2 ng N m−2 h−1 for the N2 and N2O fluxes respectively. The N2 flux ranged between 2.4 and 416.6 μg N m−2 h−1, and the grassland soils showed on average 3 and 14 times higher denitrification rates than the woodland and organic soils respectively. The N2O flux was on average 20 to 200 times lower than the N2 flux, while the denitrification product ratio (N2O/N2 + N2O was low, ranging between 0.03 and 13 %. Total denitrification rates measured by the acetylene inhibition technique

  15. Large amplitude motion of the acetylene molecule within acetylene-neon complexes hosted in helium droplets.

    Science.gov (United States)

    Briant, M; Mengesha, E; de Pujo, P; Gaveau, M-A; Soep, B; Mestdagh, J-M; Poisson, L

    2016-06-28

    Superfluid helium droplets provide an ideal environment for spectroscopic studies with rotational resolution. Nevertheless, the molecular rotation is hindered because the embedded molecules are surrounded by a non-superfluid component. The present work explores the dynamical role of this component in the hindered rotation of C2H2 within the C2H2-Ne complex. A HENDI experiment was built and near-infrared spectroscopy of C2H2-Ne and C2H2 was performed in the spectral region overlapping the ν3/ν2 + ν4 + ν5 Fermi-type resonance of C2H2. The comparison between measured and simulated spectra helped to address the above issue. PMID:27263427

  16. H2S 为毒物对乙炔氢氯化反应中 AuCl3/AC 催化剂催化活性的影响%Poisoning effect of H2S on catalytic performance of AuCl3/AC in acetylene hydrochlorination

    Institute of Scientific and Technical Information of China (English)

    代斌; 张春丽; 康丽华; 朱明远

    2015-01-01

    A study about poisoning effect of hydrogen sulfide (H2S) on the catalytic performance of AuCl3/AC during acetylene hydrochlorination deactivation is described and discussed. 1% AuCl3/AC catalyst is prepared by an incipient wetness impregnation technique. The activity tests demonstrate that H2S poisoning results in the rapid and irreversible deactivation of AuCl3/AC catalyst in acetylene hydrochlorination. Temperature-programmed reduction (TPR) and X-ray photoelectron spectra (XPS) show that H2S addition can effectively accelerate active Au3+ reduction to metallic Au0. The formation of metal sulfide may also be another reason for catalyst deactivation in the presence of H2S, which is supported by transmission electron microscopy (TEM) and energy dispersion X-ray spectrometer (EDX) techniques. In other words, with the increase of H2S added to the feed gases, the content of Au3+ is greatly reduced to metallic Au0. Moreover, the active sites are covered with Au-S compound. Both of them could reduce the effective active component, leading to the deactivation of the AuCl3/AC catalyst.%采用等体积浸渍法制备了 1% AuCl3/AC 催化剂,探究了硫化氢(H2S)为毒物对乙炔氢氯化反应中催化剂催化活性的影响及失活机理.催化活性测试结果表明,以 H2S 为毒物可导致乙炔氢氯化反应中的 AuCl3/AC 催化剂的失活,且是一个不可逆过程;程序升温还原(TPR)和 X 射线光电子能谱(XPS)分析结果表明,H2S 的加入可有效地加快 Au3+还原为 Au0;透射电镜能谱(TEM-EDX)观测分析形成的 Au-S 化合物也可导致催化剂失活,即随着 H2S 量的增大,更多的 Au3+被还原为 Au0,且形成的 Au-S 化合物覆盖在活性位点,使有效的活性组分降低进而导致 AuCl3/AC 催化剂失活.

  17. Effects of Exogenous Acetylene on Floral Bud Differentiation and Endogenous Hormone Content of Guzmania‘Denise’%乙炔催花对凤梨‘丹尼斯’花芽分化及内源激素含量的影响

    Institute of Scientific and Technical Information of China (English)

    段九菊; 曹冬梅; 王丽萍; 张超; 王云山

    2012-01-01

    为了探讨凤梨开花的生理机制以及为凤梨花期调控提供理论依据,以凤梨‘丹尼斯’为试材,研究乙炔催花对其花芽分化及内源激素含量的影响。结果表明:乙炔催花7天后诱导‘丹尼斯’进入花芽分化状态,其花芽分化进程可分为花芽未分化期、花序原基分化期、花原基分化期、花萼花瓣分化期、雌雄蕊分化期。在整个花芽分化过程中,植株生长点及叶片中生长素(IAA)、脱落酸(ABA)含量未见明显改变,而玉米素核苷(ZRs)在花序原基分化期和花原基分化期呈现出2次显著增加,赤霉素(GAs)含量在花序原基分化期和器官分化早期显著下降,从而引起ABA/GAs、ZRs/GAs、ZRs/IAA比值在花序原基分化期、花原基分化期和器官分化早期显著增加。因此,高水平的ZRs含量、ABA/GAs、ZRs/GAs、ZRs/IAA比值以及低水平的GAs含量有利于凤梨‘丹尼斯’花芽分化的完成。%In order to study the flowering mechanism in Bromeliaceae, and to provide a theoretical basis for flowering regulation, the effects of exogenous acetylene on floral bud differentiation and endogenous hormone contents of Guzmania‘Denise’were investigated. The results showed that: Guzmania‘Denise’was introduced into floral bud differentiation stage by exogenous acetylene application 7 days. The process of bud differentiation included no differentiation stage, inflorescence primordium differentation stage, single flower primordium differentiation stage, sepal and petal differentiation stage and stamen and pistil differentiation stage. During the process of bud differentiation, the contents of auxins (IAA) and abscisic acid (ABA) in the growing point and leaves kept mostly unchangeable. However, the contents of zeatin nucleotides (ZRs) increased significantly in inflorescence primordium differentation stage and single flower primordium differentiation stage. The contents of

  18. 46 CFR 154.1735 - Methyl acetylene-propadiene mixture.

    Science.gov (United States)

    2010-10-01

    ... stagnate in the compressor while it continues to run. (2) Discharge piping from each compressor stage or each cylinder in the same stage of a reciprocating compressor that has: (i) Two temperature actuated... following features: (1) A vapor compressor that does not raise the temperature and pressure of the...

  19. Enediyne antibiotics and their models: new potential of acetylene chemistry

    Science.gov (United States)

    Maretina, Irina A.; Trofimov, Boris A.

    2006-09-01

    Structures and chemical properties of enediynes, viz., compounds comprising a system of conjugated double and triple bonds, are surveyed. The presence of this system in the molecules of enediyne antitumour antibiotics ensures their high activity. The mechanism of biological action of enediynes is discussed based on cycloaromatisation of the enediyne chromophore resulting in highly active benzenoid 1,4-diradicals, which selectively cleave DNA. The key strategies of enediyne synthesis are analysed.

  20. Enediyne antibiotics and their models: new potential of acetylene chemistry

    International Nuclear Information System (INIS)

    Structures and chemical properties of enediynes, viz., compounds comprising a system of conjugated double and triple bonds, are surveyed. The presence of this system in the molecules of enediyne antitumour antibiotics ensures their high activity. The mechanism of biological action of enediynes is discussed based on cycloaromatisation of the enediyne chromophore resulting in highly active benzenoid 1,4-diradicals, which selectively cleave DNA. The key strategies of enediyne synthesis are analysed.

  1. Enediyne antibiotics and their models: new potential of acetylene chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Maretina, Irina A; Trofimov, Boris A [A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk (Russian Federation)

    2006-09-30

    Structures and chemical properties of enediynes, viz., compounds comprising a system of conjugated double and triple bonds, are surveyed. The presence of this system in the molecules of enediyne antitumour antibiotics ensures their high activity. The mechanism of biological action of enediynes is discussed based on cycloaromatisation of the enediyne chromophore resulting in highly active benzenoid 1,4-diradicals, which selectively cleave DNA. The key strategies of enediyne synthesis are analysed.

  2. Isotope effect in dissociative electron attachment cross sections in acetylene

    Energy Technology Data Exchange (ETDEWEB)

    May, Olivier; Fedor, Juraj; Allan, Michael, E-mail: olivier.may@unifr.c [Department of Chemistry, University of Fribourg, Chemin du Muse 9, 1700 Fribourg (Switzerland)

    2009-11-01

    We present absolute cross section measurement of dissociative electron attachment to C{sub 2}H{sub 2} and C{sub 2}D{sub 2}. The C{sub 2}H{sup -}/ C{sub 2}D{sup -} band at 3 eV shows pronounced isotope effect with the cross section for C{sub 2}H{sub 2} being 14.7 times larger than that for C{sub 2}D{sub 2}. The light fragments H{sup -} and D{sup -} dominate the second dissociative electron attachment band around 8 eV. These bands exhibit much weaker isotope effects which is in agreement with their assignment to Feshbach resonances.

  3. 77 FR 13997 - Revising Standards Referenced in the Acetylene Standard

    Science.gov (United States)

    2012-03-08

    ... 8, 2012, the proposed rule published December 5, 2011 (76 FR 75840), is withdrawn. FOR FURTHER... CFR 1910.102 (76 FR 75782). OSHA also published a companion proposed rule along with the direct-final rule (76 FR 75840). In the direct-final rule, OSHA stated that it would withdraw the companion...

  4. 75 FR 5707 - Revising Standards Referenced in the Acetylene Standard

    Science.gov (United States)

    2010-02-04

    ... 4, 2010, the proposed rule published August 11, 2009 (74 FR 40450), is withdrawn. FOR FURTHER... CFR 1910.102 (74 FR 40442). OSHA also published a companion proposed rule along with the direct-final rule (74 FR 40450). In the direct-final rule, OSHA stated that it would withdraw the companion...

  5. Donor-Acceptor Chromophores based on Acetylenic Scaffolds and Indenofluorenes

    DEFF Research Database (Denmark)

    Christensen, Mikkel Andreas

    -valence salt). [BILLEDE UDELADT] In the third chapter the reactivity of chloroalkynes is explored. A number of chloroalkynes is prepared and subjected to palladium-catalyzed cross coupling with a terminal alkyne. The chloroalkynes turned out to couple very well using the same conditions as for the Sonogashira...... cross-coupling. The reactivity of chloroalkynes was compared to that of Sonogashira substrates and the chloroalkynes turned out to react as fast as an aryl iodide. Some of the couplings gave reductive homo-coupling of the chloroalkyne as a byproducts. This was avoided by using a large copper...

  6. What is Different Between Borazine-Acetylene and Benzene-Acetylene a Matrix Isolation and Ab-Initio Study.

    Science.gov (United States)

    Verma, Kanupriya; Viswanathan, K. S.

    2016-06-01

    Borazine (B_3N_3H_6)-C_2H_2 system was studied experimentally, using matrix isolation infrared spectroscopy and supported by ab-initio computations. B_3N_3H_6, also referred to as inorganic benzene, presents an interesting comparison with C_6H_6. While C_6H_6 has a delocalized π system, B_3N_3H_6 has electron density centered on the nitrogen atoms, while the boron atoms are electron deficient. In addition, B_3N_3H_6 can also serve as a proton donor through N-H group. Similarly, C_2H_2 can act both as a proton donor, using the hydrogen attached to the sp carbon or as a proton acceptor at its π-cloud. At the MP2/aug-cc-pVDZ level of theory, C_6H_6-C_2H_2 system showed three minimaThe. global minimum was a structure where the C_2H_2 was the proton donor to the C_6H_6 π system. The next was a local minimum where the C_6H_6 was the proton donor to C_2H_2 and the third was a π stacked structure. B_3N_3H_6-C_2H_2 also shows three minima at the same level of theory mentioned above. One was a structure where C_2H_2 donates a proton to B_3N_3H_6, approaching it from above the plane of the ring, much like in C_6H_6-C_2H_2. A second near degenerate structure was also located where the C_2H_2 serves as a proton acceptor towards the N-H group of B_3N_3H_6. A similar structure in C_6H_6-C_2H_2 was a local minimum. While in the case of C_6H_6-C_2H_2, the global minimum was the only one observed in the experiments, in the case of B_3N_3H_6-C_2H_2, both near degenerate minima mentioned above were observed in the matrix. B_3N_3H_6-C_2H_2 therefore reveals similarities and differences from the C_6H_6-C_2H_2 system. A π-stacked local minimum was also computationally indicated in the B_3N_3H_6-C_2H_2 system, though it was not observed in our experiments. Our earlier work comparing B_3N_3H_6-H_2O to C_6H_6-H_2O also yielded a similar behavioral pattern. Details of the experimental data and computational results will be presented. References: 1. M. Majumder, B. K. Mishra, N. Sathyamurthy Chem. Phys. Lett. 2013,557,59-65 2. K. Sundararajan, K.S. Viswanathan, A.D. Kulkarni and S.R. Gadre. J. Mol. Str. 2002,613,209-222. The authors gratefully acknowledge Dr.Sanjay Singh in the preparation of borazine.

  7. Nucleation Behavior of Oxygen-Acetylene Torch-Produced Diamond Films

    Science.gov (United States)

    Roberts, F. E.

    2003-01-01

    A mechanism is presented for the nucleation of diamond in the combustion flame environment. A series of six experiments and two associated simulations provide results from which the mechanism was derived. A substantial portion of the prior literature was reviewed and the data and conclusions from the previous experimenters were found to support the proposed mechanism. The nucleation mechanism builds on the work of previous researchers but presents an approach to nucleation in a detail and direction not fully presented heretofore. This work identifies the gas phase as the controlling environment for the initial formation steps leading to nucleation. The developed mechanism explains some of the difficulty which has been found in producing single crystal epitaxial films. An experiment which modified the initial gas phase precursor using methane and carbon monoxide is presented. Addition of methane into the precursor gases was found to be responsible for pillaring of the films. Atomic force microscopy surface roughness data provides a reasonable look at suppression of nucleation by carbon monoxide. Surface finish data was taken on crystals which were open to the nucleation environment and generally parallel to the substrate surface. The test surfaces were measured as an independent measure of the instantaneous nucleation environent. A gas flow and substrate experiment changed the conditions on the surface of the sample by increasing the gas flow rate while remaining on a consistent point of the atomic constituent diagram, and by changing the carbide potential of the substrate. Two tip modification experiments looked at the behavior of gas phase nucleation by modifying the shape and behavior of the flame plasma in which the diamond nucleation is suspected to occur. Diamond nucleation and growth was additionally examined using a high-velocity oxygen fuel gun and C3H6 as the fuel gas phase precursor with addition of carbon monoxide gas 01 addition of liquid toluene.

  8. 46 CFR 151.50-79 - Methyl acetylene-propadiene mixture.

    Science.gov (United States)

    2010-10-01

    ..., and that does not allow vapor to stagnate in the compressor while it continues to run. (2) At the discharge piping from each compressor stage or each cylinder in the same stage of a reciprocating compressor... a refrigeration system with the following features: (1) A vapor compressor that does not raise...

  9. 49 CFR 178.60 - Specification 8AL steel cylinders with porous fillings for acetylene.

    Science.gov (United States)

    2010-10-01

    ... seamless steel cylinder with a service pressure of 250 psig. However, the attachment of heads by welding or... operations. Liquid quenching is not authorized. (i) Openings. Standard taper pipe threads required in all openings. The length of the opening may not be less than as specified for American Standard pipe...

  10. Gas temperature effect on the time for onset of particle nucleation in argon diluted acetylene plasma

    CERN Document Server

    Stefanovic, I; Berndt, J; Winter, J; Stefanovic, Ilija; Kovacevic, Eva; Berndt, Johannes; Winter, Jorg

    2004-01-01

    In our work we are focused on study of powder formation in C2H2/Ar plasmas. In this scope we used a combination of FTIR and mass spectroscopy, which are the mostly used experimental techniques for plasma powder formation diagnostics. To test the proposed mechanism for particle nucleation delay we measured the particle nucleation under different plasma conditions: firstly we increased the gas temperature and secondly we changed the background gas from argon to helium.

  11. Synthesis and Deposition of TiC-Fe Coatings by Oxygen-acetylene Flame Spraying

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A simpler and more convenient method for producing wear-resistant, TiC-reinforced coatings were investigated in this study. It consists of the simultaneous synthesis and deposition of TiC-Fe materials by oxyacetylene flame spraying.Solid reagents bound together to form a single particle are injected into the flame stream where an in-situ reaction occurs. The reaction products are propelled onto a substrate to form a coating. Microstructural analyses reveal that TiC and Fe are the dominant phases in the coatings. The reaction between Ti and C happens step by step along with the reactive spray powder flight, and TiC-Fe materials were mainly synthesized where the spray distance is 125~170 mm. The TiC-Fe coatings are composed of alternate TiC-rich and TiC-poor lamellae with different microhardness of 11.9~13.7 and 3.0~6.0 Gpa, respectively. Submicron and round TiC particles are dispersed within a ductile metal matrix. The peculiar microstructure is thought to be responsible for its good wear resistance, which is better nearly five times than WC-reinforced cermet coatings obtained by traditional oxyacetylene flame spray.

  12. Dynamic Load on a Pipe Caused by Acetylene Detonations – Experiments and Theoretical Approaches

    Directory of Open Access Journals (Sweden)

    Axel Sperber

    1999-01-01

    Full Text Available The load acting on the wall of a pipe by a detonation, which is travelling through, is not yet well characterized. The main reasons are the limited amount of sufficiently accurate pressure time history data and the requirement of considering the dynamics of the system. Laser vibrometry measurements were performed to determine the dynamic response of the pipe wall on a detonation. Different modelling approaches were used to quantify, theoretically, the radial displacements of the pipe wall. There is good agreement between measured and predicted values of vibration frequencies and the propagation velocities of transverse waves. Discrepancies mainly due to wave propagation effects were found in the amplitudes of the radial velocities. They might be overcome by the use of a dynamic load factor or improved modelling methods.

  13. Experimental and ab initio studies of the novel piperidine-containing acetylene glycols

    CERN Document Server

    Mirsakiyeva, Amina; Elgammal, Karim; Ten, Assel; Hugosson, Håkan W; Delin, Anna; Yu, Valentina K

    2015-01-01

    Synthesis routes of novel piperidine-containing diacetylene are presented. The new molecules are expected to exhibit plant growth stimulation properties. In particular, the yield in a situation of drought is expected to increase. The synthesis makes use of the Favorskii reaction between cycloketones/piperidone and triple-bond containing glycols. The geometries of the obtained molecules were determined using nuclear magnetic resonance (NMR). The electronic structure and geometries of the molecules were studied theoretically using first-principles calculations based on density functional theory. The calculated geometries agree very well with the experimentally measured ones, and also allow us to determine bond lengths, angles and charge distributions inside the molecules. The stability of the OH-radicals located close to the triple bond and the piperidine/cyclohexane rings was proven by both experimental and theoretical analyses. The HOMO/LUMO analysis was done in order to characterize the electron density of t...

  14. Synthesis of 2,3-disubstituted thiophens via metalated acetylenes and allenes

    NARCIS (Netherlands)

    Jong, R.L.P. de; Brandsma, L.

    1982-01-01

    2,3-Disubstituted thiophen derivatives have been obtained in reasonable yields by treating 2-alkyne- and allene derivatives with butyllithium and potassium t-butoxide in tetrahydrofuran, adding carbon disulfide to the organometallic intermediate and then successively adding t-butyl alcohol, hexameth

  15. Adsorption and reaction of acetylene and ethylene on the Si(001)2x1 surface

    International Nuclear Information System (INIS)

    The electronic structures and the thermal reaction of chemisorbed C2H2 and C2H4 on the Si(001)2x1 surface have been investigated by carbon K-edge near-edge x-ray absorption fine structure (NEXAFS) and ultraviolet photoemission spectroscopy (UPS) using synchrotron radiation. The bonding and antibonding states due to the interaction of the molecules and the Si surface atoms are identified by detailed polarization-dependent UPS and NEXAFS measurements, respectively. These bonding and antibonding states are shown to originate from the hybridization between the occupied Si dangling bonds and the lowest unoccupied molecular orbitals (πC-C*) of C2H2 and C2H4 double-σ-bonded on the top of the Si dimer. The thermal evolution of mainly C2H2 is investigated in detail for a wide temperature range of 60-1500 K from the condensation to the surface alloy formation. The coexistence of the physisorbatelike and the chemisorbed molecular species is observed at 70-90 K for C2H2 and C2H4, for the coverages greater than ∼0.25 monolayer (ML). The πC-C* resonance of those physisorbatelike C2H4 species in NEXAFS exhibits an unusual polarization dependence indicating adsorption with their molecular planes aligned perpendicular to the surface. The dissociation of C2H2 chemisorbates is shown to occur at 600-700 K as observed by UPS. After the dissociation of molecules, the atomic hydrogen adsorbates are identified by the monohydridelike surface resonance states in the UP spectra at 800-950 K. Most of the Si dangling bonds are passivated by, at least partly, the hydrogen adsorbates at this stage. At ∼1000 K, the desorption of hydrogen occurs, which accompanies the appearance of a broad SiC-like feature in the UP spectra at ∼3 eV below Fermi level

  16. Effect of Acetylene Concentration on Denitrification and Related Microbial Processes in Anaerobically Incubasted Soil Slurries

    Institute of Scientific and Technical Information of China (English)

    巩晓佘

    1996-01-01

    In order to study the influence of difference in C2H2 concentration on the production of CO2,N2O,NH4-N and volatile fatty acids(VFA).soil slurries with a gradient in C2H2 concentration were anaerobically incubated at 25℃ for 2 weeks.Acetate,butyrate and CO2 production and NH4-N accumulation were inhibited in the slurres in the presence of C2H2;and the inhibition effect increased with increasing C2H2 from 0 to 20 kPa in the headspace gas of the incubation bottle.However,N2O,isobutyrate and propionate production was not obviously different among the slurres amended with C2H2 from 2.5 to 20 kPa.Therefore,the results implied that the C2H2 did not promote the inhibition but only increased the side effect on other microbial processes.The C2H2 of 2.5 kPa was suggested to be the optimum choice for the present denitrification study.

  17. Gaseous carburising of self-passivating Fe–Cr-Ni alloys in acetylene-hydrogen mixtures

    DEFF Research Database (Denmark)

    Christiansen, Thomas; Hummelshøj, Thomas Strabo; Somers, Marcel A. J.

    2011-01-01

    Gaseous carburising of self-passivating Fe–Cr–Ni alloys in acetylene–hydrogen was investigated for temperatures up to 823 K. Acetylene–hydrogen gas mixtures allow both the activation of the surface and the subsequent carburising at a high and adjustable carburising potential. For relatively low t...... temperatures, carbon stabilised expanded austenite develops, which has high hardness, while retaining the corrosion performance of the untreated alloy; for relatively high temperatures, Cr based carbides develop, and eventually, the material deteriorates by metal dusting corrosion....

  18. Beyond-thermal-equilibrium" conversion of methane to acetylene and hydrogen under pulsed corona discharge

    Institute of Scientific and Technical Information of China (English)

    朱爱民; 宫为民; 张秀玲; 李小松

    2002-01-01

    At ambient temperature and pressure, C2H2 and H2 are the dominating products from pure methane conversion under pulsed corona discharge (PCD). When the energy density of 194-1788 kJ/mol was applied, 7%-30% of C2H2 yield and 6%-35% of H2 yield per pass have been obtained. These results are higher than the maximum thermodynamic yield of C2H2 (5.1%) and H2 (3.8%) at 100 kPa and 1100 K, respectively. Thereby, pulsed corona discharge is a very effective tool for "beyond-thermal-equilibrium" conversion of methane to C2H2 and H2 at ambient temperature and pressure. In the PCD energy density range of 339-822 kJ/mol, the carbon distribution of the methane conversion products is found to be: C2H2 86%-89%, C2H6 4%-6%, C2H4 4%-6%, C3 -2%, C4 -1%. Through comparison of the product from pure methane, ethane and ethylene conversion at the same discharge conditions, it can be concluded that three pathways may be responsible for the C2H2 formation via CHx radicals produced from the collisions of CH4 molecules with energi

  19. "Beyond-thermal-equilibrium" conversion of methane to acetylene and hydrogen under pulsed corona discharge

    Institute of Scientific and Technical Information of China (English)

    朱爱民; 张秀玲; 李小松; 宫为民

    2002-01-01

    At ambient temperature and pressure, C2H2 and H2 are the dominating products from pure methane conversion under pulsed corona discharge (PCD). When the energy density of 194-1788 kJ/mol was applied, 7%-30% of C2H2 yield and 6%-35% of H2 yield per pass have been obtained. These results are higher than the maximum thermodynamic yield of C2H2 (5.1%) and H2 (3.8%) at 100 kPa and 1100 K, respectively. Thereby, pulsed corona discharge is a very effective tool for "beyond-thermal-equilibrium" conversion of methane to C2H2 and H2 at ambient temperature and pressure. In the PCD energy density range of 339-822 kJ/mol, the carbon distribution of the methane conversion products is found to be: C2H2 86%-89%, C2H6 4%-6%, C2H4 4%-6%, C3 ~2%, C4~1%. Through comparison of the product from pure methane, ethane and ethylene conversion at the same discharge conditions, it can be concluded that three pathways may be responsible for the C2H2 formation via CHx radicals produced from the collisions of CH4 molecules with energized electrons in the PCD plasma: (i) C2H2 is formed directly from free radical reactions, (ii) C2H2 is formed through the dehydrogenation of C2H4, which is formed via free radical reactions primarily, and (iii) C2H6 is the primary product and then dehydrogenates to C2H4 (secondary product) and followed by C2H4 dehydrogenation to C2H2.

  20. Optical frequency standard using acetylene-filled hollow-core photonic crystal fibers

    DEFF Research Database (Denmark)

    Triches, Marco; Michieletto, Mattia; Hald, Jan;

    2015-01-01

    frequency instability. The locked fiber laser shows a fractional frequency instability below 4×10−12 for averaging time up to 104 s. The lock-point repeatability over more than 1 year is 1.3×10−11, corresponding to a standard deviation of 2.5 kHz. A complete experimental investigation of the light...

  1. Hydrogenase activity in Azospirillum brasilense is inhibited by nitrite, nitric oxide, carbon monoxide, and acetylene

    Energy Technology Data Exchange (ETDEWEB)

    Tibelius, K.H.; Knowles, R.

    1984-10-01

    Nitrite, NO, CO, and C/sub 2/H/sub 2/ inhibited O/sub 2/-dependent H/sub 2/ uptake (H/sup 3/H oxidation) in denitrifying Azospirillum brasilense Sp7 grown anaerobically on N/sub 2/O or NO/sub 3//sup -/. The apparent K/sub i/ values for inhibition of O/sub 2/-dependent H/sub 2/ uptake were 20 ..mu..M for NO/sub 2//sup -/, 0.4 ..mu..M for NO, 28 ..mu..M for CO, and 88 ..mu..M for C/sub 2/H/sub 2/. These inhibitors also affected methylene blue-dependent H/sub 2/ uptake, presumably by acting directly on the hydrogenase. Nitrite and NO inhibited H/sub 2/ uptake irreversibly, whereas inhibition due to CO was easily reversed by repeatedly evacuating and backfilling with N/sub 2/. The C/sub 2/H/sub 2/ inhibition was not readily reversed, partly due to difficulty in removing the last traces of this gas from solution. The NO/sub 2//sup -/ inhibition of malate-dependent respiration was readily reversed by repeatedly washing the cells, in contrast to the effect of NO/sub 2//sup -/ on H/sub 2/-dependent respiration. These results suggest that the low hydrogenase activities observed in NO/sub 3//sup -/-grown cultures of A. brasilense may be due to the irreversible inhibition of hydrogenase by NO/sub 2//sup -/ and NO produced by NO/sub 3//sup -/ reduction.

  2. Terahertz Spectroscopy of the Bending Vibrations of Acetylene 12C2H2

    Science.gov (United States)

    Yu, Shanshan; Drouin, Brian J.; Pearson, John C.

    2009-11-01

    Twenty P-branch transitions of 12C2H2 have been measured in the 0.8-1.6 THz region of its bending vibrational difference band. The accuracy of these measurements is estimated to be 100 kHz. The 12C2H2 molecules were generated under room temperature by passing 150 mTorr H2O vapor through calcium carbide (CaC2) powder. The observed transitions were modeled together with prior far-infrared data involving the bending levels with ∑\

  3. Terahertz Spectroscopy and Global Analysis of the Bending Vibrations of Acetylene 12C2D2

    Science.gov (United States)

    Yu, Shanshan; Drouin, Brian J.; Pearson, John C.; Pickett, Herbert M.; Lattanzi, Valerio; Walters, Adam

    2009-06-01

    Two hundred and fifty-one 12C2D2 transitions have been measured in the 0.2-1.6 THz region of its ν5-ν4 difference band and 202 of them were observed for the first time. The accuracy of these measurements is estimated to be ranging from 50 kHz to 100 kHz. The 12C2D2 molecules were generated under room temperature by passing 120-150 mTorr D2O vapor through calcium carbide (CaC2) powder. A multistate analysis was carried out for the bending vibrational modes ν4 and ν5 of 12C2D2, which includes the lines observed in this work and prior microwave, far-infrared and infrared data on the pure bending levels. Significantly improved molecular parameters were obtained for 12C2D2 by adding the new measurements to the old data set, which had only 10 lines with microwave measurement precision. New frequency and intensity predictions have been made based on the obtained molecular parameters. The more precise measurements and new predictions reported here will support the analyses of astronomical observations by the future high-resolution spectroscopy telescopes such as Herschel, SOFIA, and ALMA, which will work in the terahertz spectral region.

  4. Synthesis of “Acetylene-Expanded” Tridentate Ligands

    Directory of Open Access Journals (Sweden)

    T. W. Hanks

    2002-05-01

    Full Text Available Synthetic routes to four new tridentate ligands with large cavities have been developed. Each ligand features two halides at the termini of the molecules that could be used for further elaboration of the system. Such compounds are ideal for encapsulating organoiodide guests using charge-transfer interactions.

  5. The acetylenic tricyclic bis(cyano enone), TBE-31, targets microtubule dynamics and cell polarity in migrating cells.

    Science.gov (United States)

    Chan, Eddie; Saito, Akira; Honda, Tadashi; Di Guglielmo, Gianni M

    2016-04-01

    Cell migration is dependent on the microtubule network for structural support as well as for the proper delivery and positioning of polarity proteins at the leading edge of migrating cells. Identification of drugs that target cytoskeletal-dependent cell migration and protein transport in polarized migrating cells is important in understanding the cell biology of normal and tumor cells and can lead to new therapeutic targets in disease processes. Here, we show that the tricyclic compound TBE-31 directly binds to tubulin and interferes with microtubule dynamics, as assessed by end binding 1 (EB1) live cell imaging. Interestingly, this interference is independent of in vitro tubulin polymerization. Using immunofluorescence microscopy, we also observed that TBE-31 interferes with the polarity of migratory cells. The polarity proteins Rac1, IQGAP and Tiam1 were localized at the leading edge of DMSO-treated migrating cell, but were observed to be in multiple protrusions around the cell periphery of TBE-31-treated cells. Finally, we observed that TBE-31 inhibits the migration of Rat2 fibroblasts with an IC50 of 0.75 μM. Taken together, our results suggest that the inhibition of cell migration by TBE-31 may result from the improper maintenance of cell polarity of migrating cells.

  6. Self-assembled monolayers of terminal acetylenes as replacements for thiols in bottom-up tunneling junctions

    NARCIS (Netherlands)

    Fracasso, Davide; Kumar, Sumit; Rudolf, Petra; Chiechi, Ryan C.

    2014-01-01

    Why use thiols in Molecular Electronics? They stink, oxidize readily, poison catalysts, and often require nontrivial protection/deprotection chemistry. In this communication we demonstrate the fabrication of tunneling junctions formed by contact of self-assembled monolayers (SAMs) of terminal alkyne

  7. Acetylene (C2H2 and hydrogen cyanide (HCN from IASI satellite observations: global distributions, validation, and comparison with model

    Directory of Open Access Journals (Sweden)

    V. Duflot

    2015-05-01

    Full Text Available We present global distributions of C2H2 and HCN total columns derived from the Infrared Atmospheric Sounding Interferometer (IASI. These distributions are obtained with a fast method allowing to retrieve C2H2 abundance globally with a 5% precision and HCN abundance in the tropical (subtropical belt with a 10% (30% precision. IASI data are compared for validation purposes with ground-based Fourier Transform Infrared (FTIR spectrometer measurements at four selected stations. We show that there is an overall agreement between the ground-based and space measurements. Global C2H2 and subtropical HCN abundances retrieved from IASI spectra show the expected seasonality linked to variations in the anthropogenic emissions and seasonal biomass burning activity, as well as exceptional events, and are in good agreement with previous spaceborne studies. IASI measurements are also compared to the distributions from the Model for Ozone and Related Chemical Tracers, version 4 (MOZART-4. Seasonal cycles observed from satellite data are reasonably well reproduced by the model. However, the model seems to overestimate (underestimate anthropogenic (biomass burning emissions and a negative global mean bias of 1% (16% of the model relative to the satellite observations was found for C2H2 (HCN.

  8. Reaction between thiocarbamidoalkyl naphthols and acetylenic esters: An interesting cyclocondensation reaction for the synthesis of new thiazolidin-4-one derivatives

    Indian Academy of Sciences (India)

    Sakineh Amini; Ahmad Momeni Tikdari; Hojatollah Khabazzadeh

    2015-10-01

    This investigation was set to provide derivatives of thiazolidin-4-ones incorporated with amino-alkyl naphthols in a molecular frame work. For this purpose, a series of 1-thiocarbamidoalkyl-2-naphthols was prepared by the three component condensation of aromatic aldehydes, phenylthiourea and 2-naphthol. In the next step, these compounds underwent reaction with dialkyl acetylenedicarboxylates at ambient temperature in ethanol to afford the corresponding 4-thiazolidinones in high yields. Following the completion of the reaction, the products were solidified and isolated by filtration. The method is easy, inexpensive, chemoselective and environmentally benign and illustrates an interesting instance of click chemistry.

  9. An Experimental and Theoretical Study of the Mechanism of Stannylcupration of α,β-Acetylenic Ketones and Esters

    DEFF Research Database (Denmark)

    Ahlquist, Mårten Sten Gösta; Nielsen, Thomas Eiland; Le Quement, Sebastian;

    2006-01-01

    The title reaction has been investigated by experimental and computational (DFT) techniques, and subsequently compared to the corresponding carbocupration reaction, with particular emphasis on the stereoselectivity. For stannylcupration of an ynone substrate, only the anti-addition product is obs...

  10. 改进型湿法乙炔工艺介绍%Introduction to improved wet acetylene production process

    Institute of Scientific and Technical Information of China (English)

    李富勇; 唐湘零; 肖军

    2012-01-01

    对传统湿法乙炔发生工艺的破碎单元、发生单元、清净单元、渣浆处理单元进行了技术改进,改进后的工艺生产1tPVC电石单耗降至1.40t,工业水单耗降至1.55t,经济和环保效益显著。%The crushing unit, gcnerating unit, purifying unit and slag slurry processing unit in the production of acctylcnc by traditional wet proccss wcrc modificd technologically. After modifi- cation, thc unit consumption of calcium carbide and industrial water for 1 ton of PVC were reduced to 1.40 and 1.55 tons, rcspcctively, and the economic effects and social cffccts wcrc obvious.

  11. Novel synthesis of thick wall coatings of titania supported Bi poisoned Pd catalysts and application in selective hydrogenation of acetylene alcohols in capillary microreactors.

    Science.gov (United States)

    Cherkasov, Nikolay; Ibhadon, Alex O; Rebrov, Evgeny V

    2015-04-21

    Catalysis in microreactors allows reactions to be performed in a very small volume, reducing the environmental problems and greatly intensifying the processes through easy pressure control and the elimination of heat- and mass-transfer limitations. In this study, we report a novel method for the controlled synthesis of micrometre-thick mesoporous TiO2 catalytic coatings on the walls of long channels (>1 m) of capillary microreactors in a single deposition step. The method uses elevated temperature and introduces a convenient control parameter of the deposition rate (displacement speed controlled by a stepper motor), which allows deposition from concentrated and viscous sols without channel clogging. A capillary microreactor wall-coated with titania supported Bi-poisoned Pd catalyst was obtained using the method and used for the semihydrogenation of 2-methyl-3-butyn-2-ol providing 93 ± 1.5% alkene yield for 100 h without deactivation. Although the coating method was applied only for TiO2 deposition, it is nonetheless suitable for the deposition of volatile sols. PMID:25749619

  12. A combined IRAM and Herschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC3N

    CERN Document Server

    Esplugues, G B; Viti, S; Goicoechea, J R; Tercero, B; Marcelino, N; Palau, Aina; Bell, T A; Bergin, E A; Crockett, N R; Wang, S

    2013-01-01

    We present a study of cyanoacetylene (HC3N) and cyanodiacetylene (HC5N) in Orion KL, through observations from two line surveys performed with the IRAM 30m telescope and the HIFI instrument on board the Herschel telescope. The frequency ranges covered are 80-280 GHz and 480-1906 GHz. We model the observed lines of HC3N, HC5N, their isotopologues (including DC3N), and vibrational modes, using a non-LTE radiative transfer code. To investigate the chemical origin of HC3N and DC3N in Orion KL, we use a time-dependent chemical model. We detect 40 lines of the ground state of HC3N and 68 lines of its 13C isotopologues. We also detect 297 lines of six vibrational modes of this molecule (nu_7, 2nu_7, 3nu_7, nu_6, nu_5, and nu_6+nu_7) and 35 rotational lines of the ground state of HC5N. We report the first tentative detection of DC3N in a giant molecular cloud with a DC3N/HC3N abundance ratio of 0.015. We provide column densities and isotopic and molecular abundances. We also perform a 2x2" map around Orion IRc2 and w...

  13. Isoquinoline-catalyzed reaction between 4-hydroxycoumarin or 4-hydroxy-6-methylpyran-1-one and dialkyl acetylene dicarboxylates: synthesis of coumarin and pyranopyrane derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Anary-Abbasinejad, Mohammad; Anaraki-Ardakani, Hossein; Mosslemin, Mohammad Hossein [Islamic Azad University, Yazd (Iran, Islamic Republic of). Dept. of Chemistry; Khavasi, Hamid Reza [Shahid Beheshti University, Tehran (Iran, Islamic Republic of). Dept. of Chemistry

    2010-07-01

    In this work we report the reaction between dialkyl acetylenedicarboxylates and enolic systems such as 5,5-dimethyl-1,3-cyclohexanedione, 1,3-cyclohexanedione, 4-hydroxycoumarin or 4-hydroxy-6-methylpyran-1-one in the presence of isoquinoline, which leads to new coumarin and pyranopyran derivatives. (author)

  14. Super acid catalysed sequential hydrolysis/cycloisomerization of -(acetylenic)benzamides under microwave condition: Synthesis, antinociceptive and antiinflammatory activity of substituted isocoumarins

    Indian Academy of Sciences (India)

    Chandrasekaran Praveen; P Dheenkumar; P T Perumal

    2013-01-01

    Synthesis of isocoumarins and related compounds via triflic acid promoted hydrolysis/cyclization sequence of 2-(alkynyl)benzamides under microwave condition was achieved. The substrate scope of the reaction was broad to include not only aromatic but also polyaromatic and heteroaromatic motifs, thus highlighting the significance of this methodology. One-pot operation, short reaction time, good chemical yields and excellent regioselectivity are the advantages of this protocol. All the synthesized compounds were evaluated for their antinociceptive and antiinflammatory activities using in vivo rodent models.

  15. Darling-Dennison resonance and Coriolis coupling in the bending overtones of the A 1A(u) state of acetylene, C2H2.

    Science.gov (United States)

    Merer, Anthony J; Yamakita, Nami; Tsuchiya, Soji; Steeves, Adam H; Bechtel, Hans A; Field, Robert W

    2008-08-01

    Rotational analyses have been carried out for the overtones of the nu(4) (torsion) and nu(6) (in-plane cis-bend) vibrations of the A (1)A(u) state of C(2)H(2). The v(4)+v(6)=2 vibrational polyad was observed in high-sensitivity one-photon laser-induced fluorescence spectra and the v(4)+v(6)=3 polyad was observed in IR-UV double resonance spectra via the ground state nu(3) (Sigma(+) (u)) and nu(3)+nu(4) (Pi(u)) vibrational levels. The structures of these polyads are dominated by the effects of vibrational angular momentum: Vibrational levels of different symmetry interact via strong a-and b-axis Coriolis coupling, while levels of the same symmetry interact via Darling-Dennison resonance, where the interaction parameter has the exceptionally large value K(4466)=-51.68 cm(-1). The K-structures of the polyads bear almost no resemblance to the normal asymmetric top patterns, and many local avoided crossings occur between close-lying levels with nominal K-values differing by one or more units. Least squares analysis shows that the coupling parameters change only slightly with vibrational excitation, which has allowed successful predictions of the structures of the higher polyads: A number of weak bands from the v(4)+v(6)=4 and 5 polyads have been identified unambiguously. The state discovered by Scherer et al. [J. Chem. Phys. 85, 6315 (1986)], which appears to interact with the K=1 levels of the 3(3) vibrational state at low J, is identified as the second highest of the five K=1 members of the v(4)+v(6)=4 polyad. After allowing for the Darling-Dennison resonance, the zero-order bending structure can be represented by omega(4)=764.71, omega(6)=772.50, x(44)=0.19, x(66)=-4.23, and x(46)=11.39 cm(-1). The parameters x(46) and K(4466) are both sums of contributions from the vibrational angular momentum and from the anharmonic force field. For x(46) these contributions are 14.12 and -2.73 cm(-1), respectively, while the corresponding values for K(4466) are -28.24 and -23.44 cm(-1). It is remarkable how severely the coupling of nu(4) and nu(6) distorts the overtone polyads, and also how in this case the effects of vibrational angular momentum outweigh those of anharmonicity in causing the distortion.

  16. Long-Chain Acetylenic Ketones from the Micronesian Sponge Haliclona sp. Importance of the 1-yn-3-ol Group for Antitumor Activity

    Directory of Open Access Journals (Sweden)

    Guang-Xiong Zhou

    2003-11-01

    Full Text Available Abstract: Two new long-chain C33 polyacetylenic compounds, halicynones A and B were isolated from the marine sponge Haliclona sp. along with known analogs. The known compound pellynol A possessing a 1-yn-3-ol terminus, exhibited strong antitumor activity against the human colon tumor cell line HCT-116 (IC50 0.026 μg/mL, however, the corresponding 1-yn-3-one, halicynone A, was inactive, which suggests an important role for the terminal 1-yn-3-ol functional group in mediating cytotoxic activity.

  17. Accurate Spectral Fits of Jupiter's Great Red Spot: VIMS Visual Spectra Modelled with Chromophores Created by Photolyzed Ammonia Reacting with Acetyleneχ±

    Science.gov (United States)

    Baines, Kevin; Sromovsky, Lawrence A.; Fry, Patrick M.; Carlson, Robert W.; Momary, Thomas W.

    2016-10-01

    We report results incorporating the red-tinted photochemically-generated aerosols of Carlson et al (2016, Icarus 274, 106-115) in spectral models of Jupiter's Great Red Spot (GRS). Spectral models of the 0.35-1.0-micron spectrum show good agreement with Cassini/VIMS near-center-meridian and near-limb GRS spectra for model morphologies incorporating an optically-thin layer of Carlson (2016) aerosols at high altitudes, either at the top of the tropospheric GRS cloud, or in a distinct stratospheric haze layer. Specifically, a two-layer "crème brûlée" structure of the Mie-scattering Carlson et al (2016) chromophore attached to the top of a conservatively scattering (hereafter, "white") optically-thick cloud fits the spectra well. Currently, best agreement (reduced χ2 of 0.89 for the central-meridian spectrum) is found for a 0.195-0.217-bar, 0.19 ± 0.02 opacity layer of chromophores with mean particle radius of 0.14 ± 0.01 micron. As well, a structure with a detached stratospheric chromophore layer ~0.25 bar above a white tropospheric GRS cloud provides a good spectral match (reduced χ2 of 1.16). Alternatively, a cloud morphology with the chromophore coating white particles in a single optically- and physically-thick cloud (the "coated-shell model", initially explored by Carlson et al 2016) was found to give significantly inferior fits (best reduced χ2 of 2.9). Overall, we find that models accurately fit the GRS spectrum if (1) most of the optical depth of the chromophore is in a layer near the top of the main cloud or in a distinct separated layer above it, but is not uniformly distributed within the main cloud, (2) the chromophore consists of relatively small, 0.1-0.2-micron-radius particles, and (3) the chromophore layer optical depth is small, ~ 0.1-0.2. Thus, our analysis supports the exogenic origin of the red chromophore consistent with the Carlson et al (2016) photolytic production mechanism rather than an endogenic origin, such as upwelling of material from the depths of Jupiter.

  18. Selective Liquid-Phase Semihydrogenation of Functionalized Acetylenes and Propargylic Alcohols with Silica-Supported Bimetallic Palladium—Copper Catalysts

    NARCIS (Netherlands)

    Koten, G. van; Spee, M.P.R.; Meijer, M.D.; Slagt, M.Q.; Geus, John W.

    2001-01-01

    Silica-supported, bimetallic palladium-copper catalysts were prepared in solution under mild conditions by reacting lithium di(4-tolyl)cuprate with palladium acetate in the presence of silica particles. Small bimetallic palladium-copper particles were deposited on the silica surface as confirmed wit

  19. Diamond synthesis by a CVD techniques using an acetylene combustion flame. Sintesis de diamante mediante deposicion quimica en fase vapor con llama de combustion de acetileno

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Diego, I.; Vazquez-Vaamonde, A.J. (Centro Nacional de Investigaciones Metalurgicas, Madrid (Spain))

    1994-01-01

    Diamond particles and films with good crystallinity were grown on a molybdenum substrate with and oxyacetylene combustion flame. The diamond deposition has been carried out at ambient atmosphere. It depends on both the O[sub 2]/C[sub 2]H[sub 2] molar ratio and the substrate temperature. Diamond quality was analyzed by scanning electron microscopy and Raman spectroscopy. This Chemical Vapor Deposition (CVD) technique is an alternative method to grow diamond protective layers on metal substrates. Author (23 refs.)

  20. Ultrasonic Synthesis, Molecular Structure and Mechanistic Study of 1,3-Dipolar Cycloaddition Reaction of 1-Alkynylpyridinium-3-olate and Acetylene Derivatives

    Directory of Open Access Journals (Sweden)

    Asmaa Aboelnaga

    2016-06-01

    Full Text Available Regioselectively, ethyl propiolate reacted with 1-(propergyl-pyridinium-3-olate to give two regioisomers; ethyl 4-oxo-8-(prop-2-ynyl-8-aza-bicyclo(3.2.1octa-2,6-diene-6-carboxylate 4, ethyl 2-oxo-8-(prop-2-ynyl-8-aza-bicyclo(3.2.1octa-3,6-diene-6-carboxylate 5 as well as ethyl 2,6-dihydro-6-(prop-2-ynylfuro(2,3-cpyridine-3-carboxylate 6. The obtained compounds were identified by their spectral (IR, mass and NMR data. Moreover, DFT quantum chemical calculations were used to study the mechanism of the cycloaddition reaction. The regioselectivity was explained using transition state calculations, where the calculations agreed with the formation of products 4 and 5 in almost the same ratio. The reaction was also extended for diphenylaceylene as dipolarophile to give only two products instead of three.

  1. Synthesis of Stable and Soluble One-Handed Helical Homopoly(substituted acetylenes without the Coexistence of Any Other Chiral Moieties via Two-Step Polymer Reactions in Membrane State: Molecular Design of the Starting Monomer

    Directory of Open Access Journals (Sweden)

    Takashi Kaneko

    2012-01-01

    Full Text Available A soluble and stable one-handed helical poly(substituted phenylacetylene without the coexistence of any other chiral moieties was successfully synthesized by asymmetric-induced polymerization of a chiral monomer followed by two-step polymer reactions in membrane state: (1 removing the chiral groups (desubstitution; and (2 introduction of achiral long alkyl groups at the same position as the desubstitution to enhance the solubility of the resulting one-handed helical polymer (resubstitution. The starting chiral monomer should have four characteristic substituents: (i a chiral group bonded to an easily hydrolyzed spacer group; (ii two hydroxyl groups; (iii a long rigid hydrophobic spacer between the chiral group and the polymerizing group; (iv a long achiral group near the chiral group. As spacer group a carbonate ester was selected. The two hydroxyl groups formed intramolecular hydrogen bonds stabilizing a one-handed helical structure in solution before and after the two-step polymer reactions in membrane state. The rigid long hydrophobic spacer, a phenylethynylphenyl group, enhanced the solubility of the starting polymer, and realized effective chiral induction from the chiral side groups to the main chain in the asymmetric-induced polymerization. The long alkyl group near the chiral group avoided shrinkage of the membrane and kept the reactivity of resubstitution in membrane state after removing the chiral groups. The g value (g = ([θ]/3,300/ε for the CD signal assigned to the main chain in the obtained final polymer was almost the same as that of the starting polymer in spite of the absence of any other chiral moieties. Moreover, since the one-handed helical structure was maintained by the intramolecular hydrogen bonds in a solution, direct observation of the one-handed helicity of the final homopolymer has been realized in CD for the solution for the first time.

  2. ONE-POT SYNTHESIS OF FUNCTIONALIZED 2-THIAZOLIDIN-4-ONES FROM THIOSEMICARBAZONE DERIVATIVES AND ACETYLENIC ESTERS IN WATER Ein-Topf-Synthese funktionalisierter 2-THIAZOLIDIN-4-one FROM Thiosemicarbazone DERIVATE UND Acetylenische ESTERS IM WASSER.

    Directory of Open Access Journals (Sweden)

    Sayed Ali Ahmadi*, Dadkhoda Ghazanfari

    2013-07-01

    Full Text Available Some derivatives of 2-thiazolidin-4-ones were synthesized from dialkyl acetylenedicarboxylates and thiosemicarbazone derivatives of chalchones in the presence of triphenylphosphine in water

  3. Ru Catalysts with Oxygenated Carbon Supports for Acetylene Hydrochlorination%氧改性活性炭负载Ru催化剂对乙炔氢氯化反应的影响

    Institute of Scientific and Technical Information of China (English)

    戴卉; 代斌; 张金利

    2014-01-01

    催化剂的活性和载体性质关系很大,活性炭是一种最常见的催化剂载体.本文选取椰壳活性炭作为催化剂载体,经煅烧之后进行了氧化处理改性研究,实验考察了改性载体负载钌基活性组分在乙炔氢氯化反应中的应用,并利用比表面积测试法、拉曼光谱分析、化学吸脱附分析、X射线光电子能谱测试和热重分析等对其结构和表面形貌进行了表征.实验结果表明:不同温度煅烧处理对载体的氧含量和表面含氧官能团密切相关,改性后载体表面富含酸酐和羰基基团,制备的钌基催化剂,主要活性组分为RuO2和RuOx,能减少催化剂表面的积碳含量;改性后最好的催化剂为Ru/C800-A5,在反应温度为180℃,乙炔空速为150 h-1时,乙炔初始转化率可以达到97%.上述实验方法与结果说明:这种对载体先煅烧后氧化的改性方法操作简单,容易实施;Ru/C800-A5是一种绿色、高效、价格低廉的催化剂,同时具有很好的工业化应用前景.

  4. The reactivity of [PhP(Se)(mu-Se)]2 and (PhP)3Se2 towards acetylenes and cyanamides: X-ray crystal structures of some P-Se-C and P-Se-C-N heterocycles.

    Science.gov (United States)

    Bhattacharyya, Pravat; Slawin, Alexandra M Z; Woollins, J Derek

    2002-06-17

    Several unusual P-Se-C and P-Se-C-N heterocycles are formed by the reaction of [PhP(Se)(mu-Se)]2 or (PhP)3Se2 with alkynes or cyanamides, generated by the fragmentation of the organophosphorus-selenium compound and addition across the C identical to C or C identical to N triple bond of the organic substrate. X-ray crystallographic analysis reveals an unexpected diversity of structural motifs within these heterocyclic systems, including P2SeCN, P2C2Se and PC2Se2 rings.

  5. 乙炔氢氯化反应制备氯乙烯低固汞催化剂失活机理%Deactivation Mechanism of Low-Mercury Catalyst for Acetylene Hydrochlorination

    Institute of Scientific and Technical Information of China (English)

    支林轩; 李瑛; 唐浩东; 刘化章; 裴文俊

    2015-01-01

    The fresh and deactivated low-mercury catalysts were characterized by low-temperature nitrogen adsorption-desorption technique, scanning electron microscopy(SEM), temperature programmed desorption- mass spectrometry(TPD-MS), temperature programmed oxidation-mass spectrometry(TPO-MS) and thermal gravimetric analysis(TG). The results showed that HgCl2 of deactivated catalyst lost by 1.6%, deposited carbon reached 13.5% and sulfocompounds were detected. The coking and sulfur poisoning were the main reasons for the new low-mercury catalyst.%采用氮气吸附脱附技术、扫描电镜(SEM)、程序升温脱附-质谱联用(TPD-MS)、程序升温氧化-质谱联用(TPO-MS)和热重分析仪(TG)等对新鲜及反应800 h后的乙炔氢氯化低固汞催化剂进行了表征及失活机理分析.结果表明,反应后的低固汞催化剂的HgCl2的流失仅为1.6%,积炭量为13.5%,并测得含硫化合物,说明硫中毒和积炭是催化剂失活的主要原因.

  6. Properties of Silicone Resin Modified with Silicone-Acetylene Resin and Its Composites%硅炔杂化树脂改性有机硅树脂及其复合材料的性能

    Institute of Scientific and Technical Information of China (English)

    徐彬; 周权; 倪礼忠

    2012-01-01

    Silicone resin was modified with polymer of methyl-di-phenylaeetylene silane(PSP). The cur- ing mechanism,heat resistance and mechanical properties of silicone resin and its composites were studied by FT-IR and TGA. Results show that when the mass ratio of HS to PSP is 5 : 5,the temperature of 5% mass loss (Tds) of the cured blends is 691℃, residual of mass is 88% based on the initial mass at 1 000 ℃ in nitrogen. The impact strength is 21 kJ/m2 , the flexural strength is 65 MPa, the retention rate of flexur- al strength is 78%at 200 ℃, the dielectric constant is 4.6, the dielectric loss factor is 7.9× 10^-3 and the insulation resistance is 6.7 ×10^13Ω Composites have excellent properties of mechanics, high temperature- resistance and dielectric.%用一种硅炔杂化树脂聚(甲基硅烷-二乙炔基苯)(PSP)改性有机硅树脂(HS),通过FT—IR和TGA研究了树脂体系的固化反应及耐热性,并对制备的复合材料进行力学性能、耐热性能和介电性能研究。结果表明:当HS与PSP的质量比为5:5时综合性能最优,树脂体系在氮气氛围下质量损失5%时的温度(T幽)为691℃,1000℃时质量保留率为88%;HS—PSP树脂短切玻纤复合材料冲击强度为21kJ/m^2,弯曲强度为65MPa,200℃时的弯曲强度高温保留率为78%,介电常数为4.6,介电损耗因数为7.9×10,体积电阻为6.7×10^13Ω。改性后的复合材料具有优异的力学、耐热和介电性能。

  7. An eco-friendly process for natural gas conversion

    Energy Technology Data Exchange (ETDEWEB)

    Yao, S.; Nakayama, A.; Suzuki, E. [Research Institute of Innovative Technology for the Earth, Kyoto (Japan). Catalysis Science Laboratory

    2001-07-01

    An eco-friendly process has been developed to convert methane, the major component of natural gas, to acetylene and hydrogen using a high frequency pulsed plasma. Acetylene is an important raw material in industry that is manufactured mainly by the reaction of calcium carbide with water. Acetylene is also manufactured by thermal cracking of hydrocarbons, or by partial oxidation of methane. These conventional processes require severe reaction conditions (a very high reaction temperature) and emit large amounts of greenhouse gas. The new process can convert methane to acetylene and hydrogen with a conversion efficiency of 52.8%, an acetylene selectivity of 91.8%, and a hydrogen ratio of 4.15 moles per mole acetylene at room temperature and atmospheric pressure. No environmental pollutant is emitted. 14 refs., 1 fig., 3 tabs.

  8. Calcium Carbide: A Unique Reagent for Organic Synthesis and Nanotechnology.

    Science.gov (United States)

    Rodygin, Konstantin S; Werner, Georg; Kucherov, Fedor A; Ananikov, Valentine P

    2016-04-01

    Acetylene, HC≡CH, is one of the primary building blocks in synthetic organic and industrial chemistry. Several highly valuable processes have been developed based on this simplest alkyne and the development of acetylene chemistry has had a paramount impact on chemical science over the last few decades. However, in spite of numerous useful possible reactions, the application of gaseous acetylene in everyday research practice is rather limited. Moreover, the practical implementation of high-pressure acetylene chemistry can be very challenging, owing to the risk of explosion and the requirement for complex equipment; special safety precautions need to be taken to store and handle acetylene under high pressure, which limit its routine use in a standard laboratory setup. Amazingly, recent studies have revealed that calcium carbide, CaC2 , can be used as an easy-to-handle and efficient source of acetylene for in situ chemical transformations. Thus, calcium carbide is a stable and inexpensive acetylene precursor that is available on the ton scale and it can be handled with standard laboratory equipment. The application of calcium carbide in organic synthesis will bring a new dimension to the powerful acetylene chemistry.

  9. Calcium Carbide: A Unique Reagent for Organic Synthesis and Nanotechnology.

    Science.gov (United States)

    Rodygin, Konstantin S; Werner, Georg; Kucherov, Fedor A; Ananikov, Valentine P

    2016-04-01

    Acetylene, HC≡CH, is one of the primary building blocks in synthetic organic and industrial chemistry. Several highly valuable processes have been developed based on this simplest alkyne and the development of acetylene chemistry has had a paramount impact on chemical science over the last few decades. However, in spite of numerous useful possible reactions, the application of gaseous acetylene in everyday research practice is rather limited. Moreover, the practical implementation of high-pressure acetylene chemistry can be very challenging, owing to the risk of explosion and the requirement for complex equipment; special safety precautions need to be taken to store and handle acetylene under high pressure, which limit its routine use in a standard laboratory setup. Amazingly, recent studies have revealed that calcium carbide, CaC2 , can be used as an easy-to-handle and efficient source of acetylene for in situ chemical transformations. Thus, calcium carbide is a stable and inexpensive acetylene precursor that is available on the ton scale and it can be handled with standard laboratory equipment. The application of calcium carbide in organic synthesis will bring a new dimension to the powerful acetylene chemistry. PMID:26898248

  10. The use of calcium carbide in one-pot synthesis of symmetric diaryl ethynes.

    Science.gov (United States)

    Zhang, Weiwei; Wu, Huayue; Liu, Zhiqing; Zhong, Ping; Zhang, Lin; Huang, Xiaobo; Cheng, Jiang

    2006-12-14

    An efficient Pd-catalyzed copper and amine free coupling reaction of acetylene and aryl bromides was achieved with calcium carbide as an acetylene source, using inorganic base and easily prepared, air-stable aminophosphine ligand in common organic solvents, providing symmetric diaryl ethynes in one-pot with yields ranged from moderate to excellent.

  11. 1,4-diphenylbutadiyne as a potential tritium getter

    International Nuclear Information System (INIS)

    Research on the acetylene compound 1,4-diphenylbutadiyne is an effort to develop an air-operative tritium gas scavenger. T2 adds to the acetylene bond of the organic in the presence of a metal catalyst. The catalyst also stimulates the oxidation reaction as well. The butadiyne compound has shown good reaction efficiency at 300 ppM T2 in static dry air. At this concentration 75% of the scavenged tritium was in the organic. This work has expanded to the investigation of liquid acetylenes, metal acetylene complexes, organometallics and acetylene based alcohols. The best of these compounds has gettered 100% of 10 to 500 ppM T2 for both static and dynamic air flow conditions

  12. Notable Homogeneous Catalysis of CO2 into Acetylenic Acid by Bis-NHC-Metal Complex in Mild Conditions%温和条件下金属双氮杂环卡宾配合物催化CO2直接转化为炔酸的高效均相羧化反应

    Institute of Scientific and Technical Information of China (English)

    吴兆轩; Heriberto Diaz Velazquez; 闵梦蝶; 原晔; Hussein A. Younus; 陈建; Bibimaryam Mousavi; Francis Verpoort

    2015-01-01

    近年来,催化CO2合成精细化学品的研究备受关注.本研究在温和条件下利用金属双氮杂环卡宾催化剂实现CO2与末端炔烃的直接羧化反应,并提出合理的催化机理.首先,合成制备了铜基、银基两种金属双氮杂环卡宾催化剂,实验证明银双氮杂环卡宾配合物具有较好催化活性.通过改变环境条件和底物种类,对反应条件及催化剂底物适应性进行了探究,利用核磁共振谱仪表征产物分子结构并计算直接羧化反应的催化产率.结果表明,适宜催化条件为:1.2eq Cs2CO3作为添加剂、1大气压、室温、无水溶剂和1(mmol)%催化剂用量.银基金属催化剂活性较铜基催化剂高并具有广泛的底物适应性,对苯乙炔的催化产率高达93%;对乙炔气体同样具有良好的催化活性.此类催化剂具有优良的催化活性,能催化合成丙炔酸等重要医药中间体,在工业应用上具有极大潜力和广阔前景.

  13. 采用精益六西格玛管理降低氯乙烯合成反应气中乙炔的含量%Adopting Lean Six Sigma Management to reduce acetylene contents in vinyl chloride synthesis gas

    Institute of Scientific and Technical Information of China (English)

    任玉明; 陈志强

    2011-01-01

    利用精益六西格玛管理找出影响氯乙烯合成反应气中乙炔含量的各种因子,其中显著因子为热水槽温度、混合气脱水温度、混合气预热温度,并确定各显著因子最佳控制范围为:热水槽温度88~91℃、混合气脱水温度-12~-11℃、混合气预热温度83~85℃.经过试运行后,氯乙烯合成反应气中乙炔体积分数由原来的3.31%下降到1.38%,经济效益和环保效益显著.

  14. Methane coupling in microwave plasma under atmospheric pressure

    Institute of Scientific and Technical Information of China (English)

    Changsheng Shen; Dekun Sun; Hongsheng Yang

    2011-01-01

    Methane coupling in microwave plasma under atmospheric pressure has been investigated.The effects of molar ratio n(CH4)/n(H2),flow rate and microwave power on the reaction have been studied.(1) With the decrease of n(CH4)/n(H2) ratio,methane conversion,C2 hydrocarbon yield,energy yield and space-time yield of acetylene increased,but the yield of carbon deposit decreased.(2) With the increase of microwave power,energy yield of acetylene decreased,but space-time yield of acetylene increased.(3) With the increase of flow rate,energy yield and space-time yield of acetylene increased first and then decreased.Finally,under the reaction conditions of CH4 flow rate of 700 mL/min,n(CH4)/n(H2) ratio of 1/4 and microwave power of 400 W,the energy yield and space-time yield of acetylene could reach 0.337 mmol/kJ and 12.3 mol/(s·m3),respectively.The reaction mechanism of methane coupling in microwave plasma has been investigated based on the thermodynamics of chemical reaction.Interestingly,the acetylene yield of methane coupling in microwave plasma was much higher than the maximum thermodynamic yield of acetylene.This phenomenon was tentatively explained from non-expansion work in the microwave plasma system.

  15. Study on the inhibition of methane production from anaerobic digestion of biodegradable solid waste.

    Science.gov (United States)

    Tiantao Zhao; Lijie Zhang; Youcai Zhao

    2010-04-01

    The inhibition effects and mechanisms of chlorinated methane, anthraquinone and acetylene on methanogenesis in the anaerobic digestion process of biodegradable solid wastes were investigated. It was found that both chloroform and acetylene could effectively inhibit methanogens. Acetylene inhibited the activity of methanogens, while chloroform inhibited metabolic process of methanogenesis. A central composite design (CCD) and response surface regression analysis (RSREG) were employed to determine the optimum conditions and interaction effects of chloroform and acetylene in terms of methane and hydrogen production. Acetylene promoted the inhibition efficiency (F = 31.14; P 0.05). In addition, a maximum hydrogen production of 1.6 ml was estimated under the optimum conditions of chloroform concentration of 6.69 mg kg(-1) and acetylene concentration of 3.08 x 10(-3) (v/v). Chloroform had a significant effect on enhancing the production of propionic acid and a minimum molar ratio of acetic acid to propionic acid of 0.707 was reached with the chloroform concentration of 9.24 mg kg(-1) and acetylene concentration of 4.0 x 10(-3) (v/v). Hence, methanogens can be inhibited while the stabilization process of solid wastes can still work well. Moreover, co-inhibition technology practice at landfills was feasible and the environmental damage was negligible, according to the analysis and experimental results.

  16. Growth stress in tungsten carbide-diamond-like carbon coatings

    International Nuclear Information System (INIS)

    Growth stress in tungsten carbide-diamond-like carbon coatings, sputter deposited in a reactive argon/acetylene plasma, has been studied as a function of the acetylene partial pressure. Stress and microstructure have been investigated by wafer curvature and transmission electron microscopy (TEM) whereas composition and energy distribution functions of positive ions were obtained by electron probe microanalyzer, elastic recoil detection analysis, and mass-energy analyzer (MEA). It has been observed that the compressive stress decreases with increasing acetylene partial pressure, showing an abrupt change from -5.0 to -1.6 GPa at an acetylene partial pressure of 0.012 Pa. TEM micrographs show that by increasing the acetylene partial pressure in the plasma from 0 to 0.012 Pa, the microstructure of the coating changes from polycrystalline to amorphous. MEA results show that the most probable energy of positive ions bombarding the substrate during deposition in pure argon and argon/acetylene atmosphere is the same. Based on the results, it is concluded that the huge variation in the compressive stress at low acetylene partial pressures is due to a change in the microstructure of the coating from polycrystalline to amorphous and not to the energy of positive ions bombarding the film

  17. C2 hydrocarbon synthesis from natural gas by thermal plasma splitting decomposition

    International Nuclear Information System (INIS)

    The effects of feed rate of nitrogen and natural gas on natural gas conversion and acetylene yield have been studied in nitrogen plasma torch. Experiments showed that best result can be obtained when the ratio of feed rate of natural gas to nitrogen is 1:1. Particularly, when plasma power is 15 kW and feed rate of natural gas and nitrogen are 3Nm3·h-1, the best results are obtained as follows: the natural gas conversion 57%, acetylene yield 34%, the acetylene volume concentration in the product gas 13.2% excluding nitrogen and 7.5% including nitrogen

  18. The influence of C2H2 and dust formation on the time dependence of metastable argon density in pulsed plasmas

    OpenAIRE

    Stefanovic, Ilija; Sadeghi, Nader; Winter, Jörg

    2010-01-01

    Abstract Diode laser absorption at 772.38 nm is used to measure the time resolved density of Ar*(3 P 2) metastable atoms in a capacitively coupled radio-frequency (RF) discharge running in argon/acetylene mixture at 0.1 mbar. The RF power is pulsed at 100 Hz and the density of Ar*(3 P 2) atoms in the 5 ms ON time and in the afterglow are recorded. Different plasma conditions, namely: 1) pure argon, 2) argon + 7% acetylene before powder formation, 3) argon + 7% acetylene after dust particle...

  19. Kinetics of Hydrocarbon formation in a- C:H Film deposition plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Cal, E. de la; Tabares, F. L.

    1993-07-01

    The formation of C2 and Cp hydrocarbons during the PACVD of a-C:H films from admixtures of methane with H2 and He has been investigated by mass spectrometry under several deposition condition. The time evolution of the observed species indicates that the formation mechanisms of ethylene and acetylene are sensitive to the conditions of the wall during the growing of the film. Acetylene are sensitive to the conditions of the wall during the growing of the film. Acetylene formation was found to be directly related to the formation of the film on top of the carburized metal. (Author) 12 refs.

  20. Source Molecular Effect on Amorphous Carbon Film Deposition

    OpenAIRE

    Kawazoe, Hiroki; Inayoshi, Takanori; Shinohara, Masanori; Matsuda, Yoshinobu; Fujiyama, Hiroshi; Nitta, Yuki; Nakatani, Tatsuyuki

    2009-01-01

    We investigated deposition process of amorphous carbon films using acetylene and methane as a source molecule, by using infrared spectroscopy in multiple internal reflection geometry (MIR-IRAS). We found that deposited film structures were different due to source molecules.

  1. Pyrolytic Synthesis of Carbon Nanotubes on Ni, Co/MCM-41 Catalysts

    OpenAIRE

    Katok, K. V.; Tertykh, V. A.; Pavlenko, A. N.; Brichka, S. Ya.; Prikhod'ko, G. P.

    2004-01-01

    Process of vapor pyrolytic deposition of carbon on nickel and cobalt-containing ordered mesoporous MCM-41 matrices at decomposition of acetylene have been investigated. Formation of nanotubes, nanowires and amorphous carbon particles depending pyrolysis conditions is observed.

  2. Preflame zone structure and main features of fuel conversion in atmospheric pressure premixed laminar hydrocarbon flames

    Energy Technology Data Exchange (ETDEWEB)

    Ksandopulo, G.I.

    1995-08-25

    This report describes the structure study of the premixed hydrocarbon-oxidizer Bunsen flames burning at the atmospheric pressure and also the ones with some inhibitors added. Studies were performed on hexane, propane, methane, acetylene, and hexene flames.

  3. 78 FR 24725 - National Fire Codes: Request for Public Input for Revision of Codes and Standards

    Science.gov (United States)

    2013-04-26

    ... for Welding, Cutting, and Allied Processes. NFPA 51A--2012 Standard for Acetylene 7/7/2014 Cylinder... Smoke Door Assemblies and Other Opening Protectives. NFPA 110--2013 Standard for Emergency 7/8/2013...

  4. Reaction of Polymer-supported Selenovinyl Bromide with Grignard Reagents: A Facile Route to the Synthesis of(E)-1, 2-Disubstituted Olefins

    Institute of Scientific and Technical Information of China (English)

    E TANG; Xiang Jin LIN; Lu Ling WU

    2005-01-01

    Polymer-supported selenovinyl bromide, easily prepared from polymer-supported selenenyl bromide with acetylene, reacts with different Grignard reagents using a step-by-step strategy to obtain (E)-1, 2-disubstituted ethenes in good yields.

  5. Energy partitioning in elementary chemical processes

    Energy Technology Data Exchange (ETDEWEB)

    Bersohn, R. [Columbia Univ., New York, NY (United States)

    1993-12-01

    In the past year research has centered on the decomposition of hot molecules, the reaction of ethynyl radicals with hydrogen molecules and the reaction of oxygen atoms with acetylene. Reaction kinetics studies are reported for each of these systems.

  6. In Situ Analyses of Methane Oxidation Associated with the Roots and Rhizomes of a Bur Reed, Sparganium eurycarpum, in a Maine Wetland

    OpenAIRE

    King, G. M.

    1996-01-01

    Methane oxidation associated with the belowground tissues of a common aquatic macrophyte, the burweed Sparganium eurycarpum, was assayed in situ by a chamber technique with acetylene or methyl fluoride as a methanotrophic inhibitor at a headspace concentration of 3 to 4%. Acetylene and methyl fluoride inhibited both methane oxidation and peat methanogenesis. However, inhibition of methanogenesis resulted in no obvious short-term effect on methane fluxes. Since neither inhibitor adversely affe...

  7. External cavity diode laser based upon an integrated optical fiber platform

    OpenAIRE

    Lynch, Stephen; Holmes, Christopher; Berry, Sam; Gates, James; Jantzen, Alexander; Ferreiro, Teresa; Smith, Peter

    2016-01-01

    Plotted Data Description: Acetylene Spectrum OSA Col 1 Wavelength (nm) Col 2 Power (dBm) Grating Reflection Spectrum Col 1 Wavelength (nm) Col 2 Power (dBc) Current Power & Voltage Col 1 Current (mA) Col 2 Power (mW) Col 3 Potential (V) Laser Spectrum OSA Col 1 Wavelength (nm) Col 2 Power (dBm) Acetylene Scan Col 1 Wavelength (nm) Col 2 Absorption Coefficient Agilent 81640B RIN Col 1 Frequency (Hz) Col 2 ...

  8. Burn Injury Arise From Flying Balloon Toys

    Directory of Open Access Journals (Sweden)

    Yalcin Kulahci

    2007-08-01

    Full Text Available Many of peoples are faced minor or major burn injuries in their life. Even the most widespread burn cause is flame injuries, too different burn cause pointed out in literature like Acetylen burns. The cases which imply in literature, mostly causes from explosion of high pressure acetylene tube, metal oxygene patch flame or carbide lamp using from cave explorers. An interesting acetylene burn cause in Turkey was publised by the authors. This cases was to come into being from flying toy balloons flame. 80 person was injured from flying toy ballons flame in a meeting in 2002. Although this potential risks of acetylene, helium have not any of some risk. But helium was provided from other countries and have more price. The injuries which caused from acetylene burns like 1st -2nd degree burns. Consequently that was known helium is more avaliable for using in toy sector, and never cause burn injuries like this. [TAF Prev Med Bull. 2007; 6(4: 291-296

  9. Burn Injury Arise From Flying Balloon Toys

    Directory of Open Access Journals (Sweden)

    Yalcin Kulahci

    2007-08-01

    Full Text Available Many of peoples are faced minor or major burn injuries in their life. Even the most widespread burn cause is flame injuries, too different burn cause pointed out in literature like Acetylen burns. The cases which imply in literature, mostly causes from explosion of high pressure acetylene tube, metal oxygene patch flame or carbide lamp using from cave explorers. An interesting acetylene burn cause in Turkey was publised by the authors. This cases was to come into being from flying toy balloons flame. 80 person was injured from flying toy ballons flame in a meeting in 2002. Although this potential risks of acetylene, helium have not any of some risk. But helium was provided from other countries and have more price. The injuries which caused from acetylene burns like 1st -2nd degree burns. Consequently that was known helium is more avaliable for using in toy sector, and never cause burn injuries like this. [TAF Prev Med Bull 2007; 6(4.000: 291-296

  10. Slow-release of methanogenic inhibitors derived from encapsulated calcium carbide using paraffin wax and/or rosin: matrix optimization and diffusion characteristics.

    Science.gov (United States)

    Tiantao, Zhao; Youcai, Zhao; Lijie, Zhang; Haoquan, Chen; Feng, Shi; Haiyan, Zhou

    2011-11-01

    Acetylene has been found to significantly inhibit biological activity of methanogens and thus might be applicable for reducing the generation and emission of methane from municipal solid waste landfills. However, acetylene is gaseous and so it is considered physically infeasible to directly apply this gas to waste in landfill conditions. In the present study, a novel acetylene release mechanism was tested, using a matrix of acetylene entrapped in high hydrophobic paraffin wax and/or rosin and calcium carbide capsules with a ratio of 1.0 g g(-1) matrix and a diameter of 10 mm to facilitate the gradual release of acetylene. A diffusion mechanism model (Q = &b.gamma; × t (0.5)) for the matrix was derived based on the T. Higuchi equation, and the effective diffusion coefficients (D(e)) were acquired by linear fitting. Additionally, it was found that D(e) remained constant when the rosin content was up to more than 20% g g(-1) matrix.

  11. An Approach for Hydrogen Recycling in a Closed-loop Life Support Architecture to Increase Oxygen Recovery Beyond State-of-the-Art

    Science.gov (United States)

    Abney, Morgan B.; Miller, Lee; Greenwood, Zachary; Alvarez, Giraldo

    2014-01-01

    State-of-the-art atmosphere revitalization life support technology on the International Space Station is theoretically capable of recovering 50% of the oxygen from metabolic carbon dioxide via the Carbon Dioxide Reduction Assembly (CRA). When coupled with a Plasma Pyrolysis Assembly (PPA), oxygen recovery increases dramatically, thus drastically reducing the logistical challenges associated with oxygen resupply. The PPA decomposes methane to predominantly form hydrogen and acetylene. Because of the unstable nature of acetylene, a down-stream separation system is required to remove acetylene from the hydrogen stream before it is recycled to the CRA. A new closed-loop architecture that includes a PPA and downstream Hydrogen Purification Assembly (HyPA) is proposed and discussed. Additionally, initial results of separation material testing are reported.

  12. Structural and mechanical properties of amorphous carbon films deposited by the dual plasma technique

    Institute of Scientific and Technical Information of China (English)

    Yaohui Wang; Xu Zhang; Xianying Wu; Huixing Zhang; Xiaoji Zhang

    2008-01-01

    Direct current metal filtered cathodic vacuum are (FCVA) and acetylene gas (C2H2) were wielded to synthesize Ti-containing amorphous carbon films on Si (100). The influence of substrate bias voltage and acetylene gas on the microstructure and mechanical properties of the films were investigated. The results show that the phase of TiC in the (111) preferential crystallo-graphic orientation exists in the film, and rite main existing pattern of carbon is sp2. With increasing the acetylene flow rate, the con-tents of Ti and TiC phase of the film gradually reduce; however, the thickness of the film increases. When the substrate bias voltage reaches -600 V, the internal stress of the film reaches 1.6 GPa. The micro-hardness and elastic modulus of the film can reach 33.9 and 237.6 GPa, respectively, and the friction coefficient of the film is 0.25.

  13. Nodulation of legumes, nitrogenase activity of roots and occurrence of nitrogen-fixing Azospirillum spp. In representative soils of central Amazonia

    Energy Technology Data Exchange (ETDEWEB)

    Sylvester-Bradley, R.; De Oliverira, L.A.; De Podesta Filho, J.A.; St. John, T.V.

    1980-12-01

    Leguminosae do not predominate in the Brazilian Amazon rain forest, although they are among the five best represented families. Plant roots from various soils were examined for the presence of nodules, acetylene-reducing activity and N/sub 2/-fixing Azospirillum spp. Abundant nodulation was found in black earth (''terra preta dos indios'') and in one case on sandy soil under campinarana vegetation along a tributary of the upper Rio Negro. In sandy latosol some nodules occurred in secondary forest and fewer in primary forest. Legumes in disturbed clayey or sandy latosol showed more frequent nodulation. Primary forest on alluvial (''varzea'') soil, and in Bahia coastal rain forest on sandy latosol and Erythrina glauca used for shading cacao plantations were abundantly nodulated. Acetylene reduction assays showed no, or very little, nitrogenase activity of roots from primary or secondary forest on clayey latosol near Manaus. Nodulated roots from secondary forest on sandy latosol showed acetylene-reducing activity. High rates of acetylene reduction were observed in nodulated roots of primary forest on alluvial ''varzea'' soil. Root samples showed ethylene absorption in controls without acetylene which might interfere with the results of acetylene reduction tests. The incidence of Azospirillum was also higher in black earth than the other soils examined, and in soils with higher pH. The hypothesis that Azospirillum is associated with Trema micantha roots was refuted. Roots and soils collected under cultivated grasses showed a higher incidence of Azospirillum when fertilized with phosphorus and lime. Results indicate that nitrogen fixation did occur in association with roots in some soils, but not with roots of primary or secondary forest on clayey latosol in the vicinity of Manaus, which is the most common soil in Central Amazonia. The possible reasons for this are discussed.

  14. Formation of polycyclic aromatic hydrocarbons and soot in fuel-rich oxidation of methane in a laminar flow reactor

    DEFF Research Database (Denmark)

    Skjøth-Rasmussen, Martin Skov; Glarborg, Peter; Østberg, M.;

    2004-01-01

    Conversion of methane to higher hydrocarbons, polycyclic aromatic hydrocarbons (PAHs), and soot was investigated under fuel-rich conditions in a laminar flow reactor. The effects of stoichiometry, dilution, and water vapor addition were studied at temperatures between 1073 and 1823 K. A chemical......, and the model predicts inception of soot to occur approximately 100 K below experimental observations. Addition of water vapor has a considerable effect on the measured acetylene concentration and on soot formation at 1500 K and above. In this temperature regime, concentrations of both acetylene and soot...

  15. Multifaceted Strategy for the Synthesis of Diverse 2,2'-Bithiophene Derivatives

    Directory of Open Access Journals (Sweden)

    Stanisław Krompiec

    2015-03-01

    Full Text Available New catalytically or high pressure activated reactions and routes, including coupling, double bond migration in allylic systems, and various types of cycloaddition and dihydroamination have been used for the synthesis of novel bithiophene derivatives. Thanks to the abovementioned reactions and routes combined with non-catalytic ones, new acetylene, butadiyne, isoxazole, 1,2,3-triazole, pyrrole, benzene, and fluoranthene derivatives with one, two or six bithiophenyl moieties have been obtained. Basic sources of crucial substrates which include bithiophene motif for catalytic reactions were 2,2'-bithiophene, gaseous acetylene and 1,3-butadiyne.

  16. Nitrogen fixation, denitrification, and ecosystem nitrogen pools in relation to vegetation development in the Subarctic

    DEFF Research Database (Denmark)

    Sørensen, Pernille Lærkedal; Jonasson, Sven Evert; Michelsen, Anders

    2006-01-01

    Nitrogen (N) fixation, denitrification, and ecosystem pools of nitrogen were measured in three subarctic ecosystem types differing in soil frost-heaving activity and vegetation cover. N2-fixation was measured by the acetylene reduction assay and converted to absolute N ecosystem input by estimates...... of conversion factors between acetylene reduction and 15N incorporation. One aim was to relate nitrogen fluxes and nitrogen pools to the mosaic of ecosystem types of different stability common in areas of soil frost movements. A second aim was to identify abiotic controls on N2-fixation by simultaneous...

  17. Electrochemical functionalization of carbon surfaces by aromatic azide or alkyne molecules: a versatile platform for click chemistry.

    Science.gov (United States)

    Evrard, David; Lambert, François; Policar, Clotilde; Balland, Véronique; Limoges, Benoît

    2008-01-01

    The electrochemical reduction of phenylazide or phenylacetylene diazonium salts leads to the grafting of azido or ethynyl groups onto the surface of carbon electrodes. In the presence of copper(I) catalyst, these azide- or alkyne-modified surfaces react efficiently and rapidly with compounds bearing an acetylene or azide function, thus forming a covalent 1,2,3-triazole linkage by means of click chemistry. This was illustrated with the surface coupling of ferrocenes functionalized with an ethynyl or azido group and the biomolecule biotin terminated by an acetylene group.

  18. Synthesis and study of conjugated polymers containing Di- or Triphenylamine

    Energy Technology Data Exchange (ETDEWEB)

    Sukwattanasinitt, M.

    1996-06-21

    This thesis consists of two separate parts. The first part addresses the synthesis and study of conjugated polymers containing di- or triphenylamine. Two types of polymers: linear polymers and dendrimers, were synthesized. The polymers were characterized by NMR, IR, UV, GPC, TGA and DSC. Electronic and optical properties of the polymers were studied through the conductivity measurements and excitation- emission spectra. the second part of this thesis deals with a reaction of electron-rich acetylenes with TCNE. The discovery of the reaction from charge transfer complex studies and the investigation of this reaction on various electron-rich acetylenes are presented.

  19. Multiple infrared photon dissociation of vinyl chloride. [Dehydrohalogenation

    Energy Technology Data Exchange (ETDEWEB)

    Lussier, F.M.; Steinfeld, J.I.

    1977-09-01

    Dehydrohalogenation of vinyl chloride, to form acetylene and HCl, is produced by irradiation with infrared laser pulses in the 9 to 11 ..mu..m region. The acetylene itself is broken down to yield diacetylene and elemental carbon and hydrogen when irradiated by focused laser pulses. Initial excitation into vibrational modes of different symmetry appears to be about equally effective in converting absorbed energy to chemical reaction. The results are analyzed in terms of several models for multiple infrared photon dissociation; threshold energies of 20 to 50 J/cm/sup 2/ are deduced.

  20. 40 CFR Appendix V to Part 264 - Examples of Potentially Incompatible Waste

    Science.gov (United States)

    2010-07-01

    ... precludes a reaction (e.g., adding acid to water rather than water to acid) or that neutralizes them (e.g... potential consequence as noted. Group 1-A Acetylene sludge Alkaline caustic liquids Alkaline cleaner Alkaline corrosive liquids Alkaline corrosive battery fluid Caustic wastewater Lime sludge and...

  1. ONE POT SYNTHESIS OF THIAZOLIDINONES IN MOLTEN (ET3NHHSO4. ONE Eintopfsynthese Thiazolidinone in Mölten (Et3NH HSO4.

    Directory of Open Access Journals (Sweden)

    Maryam Kalantari

    2013-07-01

    Full Text Available Some thiazolidinones have been synthesized by the reaction of semicarbazones with acetylenic esters in molten (Et3NHHSO4 as an acid ionic liquid. This method provides several advantages such as operational simplicity, higher yield, safety and environment friendly protocol.

  2. The effect of additives on the reactivity of palladium surfaces for the chemisorption and hydrogenation of carbon monoxide: A surface science and catalytic study. [LaMO/sub 3/(M = Cr, Mn, Fe, Co, Rh)

    Energy Technology Data Exchange (ETDEWEB)

    Rucker, T.G.

    1987-06-01

    This research studied the role of surface additives on the catalytic activity and chemisorptive properties of Pd single crystals and foils. Effects of Na, K, Si, P, S, and Cl on the bonding of CO and H and on the cyclotrimerization of acetylene on the (111), (100) and (110) faces of Pd were investigated in addition to role of TiO/sub 2/ and SiO/sub 2/ overlayers deposited on Pd foils in the CO hydrogenation reaction. On Pd, only in the presence of oxide overlayers, are methane or methanol formed from CO and H/sub 2/. The maximum rate of methane formation is attained on Pd foil where 30% of the surface is covered with titania. Methanol formation can be achieved only if the TiO/sub x//Pd surface is pretreated in 50 psi of oxygen at 550/sup 0/C prior to the reaction. The additives (Na, K, Si, P, S, Cl) affect the bonding of CO and hydrogen and the cyclotrimerization of acetylene to benzene by structural and electronic interactions. In general, the electron donating additives increase the desorption temperature of CO and increase the rate of acetylene cyclotrimerization and the electron withdrawing additives decrease the desorption temperature of CO and decrease the rate of benzene formation from acetylene.

  3. Deformation and failure mechanism of nano-composite coatings under nano-indentation

    NARCIS (Netherlands)

    Galvan, D.; Pei, Y.T.; Hosson, J.Th.M. De

    2006-01-01

    Two nano-composite coatings based on nc-TiC particles in an a-C:H matrix are deposited via closed-field unbalanced reactive magnetron sputtering. The compositions of the coatings are varied by changing the acetylene gas flow during the depositions. A Cr/Cr-Ti/Ti-TiC graded interlayer is introduced b

  4. Nitrocarburizing in ammonia-hydrocarbon gas mixtures

    DEFF Research Database (Denmark)

    Pedersen, Hanne; Christiansen, Thomas; Somers, Marcel A. J.

    2011-01-01

    The present work investigates the possibility of nitrocarburising in ammonia-acetylene-hydrogen and ammonia-propene-hydrogen gas mixtures, where unsaturated hydrocarbon gas is the carbon source during nitrocarburising. Consequently, nitrocarburising is carried out in a reducing atmosphere and str...

  5. Cytotoxic Activity and G1 Cell Cycle Arrest of a Dienynone from Echinacea pallida

    DEFF Research Database (Denmark)

    Chicca, Andrea; Adinolfi, Barbara; Pellati, Federica;

    2009-01-01

    In the present study, a further investigation of the cytotoxic activity of an acetylenic constituent of ECHINACEA PALLIDA roots, namely, pentadeca-(8 Z,13 Z)-dien-11-yn-2-one, was performed, revealing a concentration-dependent cytotoxicity on several human cancer cell lines, including leukemia...

  6. Diversity and antifungal activity of endophytic diazotrophic bacteria colonizing sugarcane in Egypt

    Science.gov (United States)

    The price of nitrogen continues to increase and is a major input in sugarcane production. Sugarcane grown in Egypt was screened for the presence of nitrogen-fixing bacteria. Nitrogen-free medium LGI-P was used to isolate bacteria from cane stalks. Among the 52 isolates subjected to acetylene redu...

  7. ''Titration'' polymerization of monovinylacetylene

    NARCIS (Netherlands)

    Mavinkurve, A; Visser, S; vandenBroek, W; Pennings, AJ

    1996-01-01

    A polymer consisting of a saturated carbon backbone with pendent acetylenic groups was prepared from monovinylacetylene. A titration was performed between the monomer and tertiary butyllithium, its lithiating agent. The charge transfer complex formed between the solvent THF and the tertiary butyllit

  8. Natural Mineral-marine Manganese Nodule as a Novel Catalyst for the Synthesis of Carbon Nanotubes

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Multi-walled carbon nanotubes were fabricated by the pyrolysis of acetylene with naturally occurring marine manganese nodules as a novel catalyst at an elevated temperature.The nanotube product was examined by transmission electron microscopy.The method is expected to be the simplest one to synthesize carbon nanotubes due to unnecessary synthesis of catalyst.

  9. A facile synthesis of terminal arylacetylenes via Sonogashira coupling reactions catalyzed by MCM-41-supported mercapto palladium(0) complex

    Institute of Scientific and Technical Information of China (English)

    Ya Ping Xu; Rong Hua Hu; Ramesh C.Kamboj

    2008-01-01

    A variety of terminal arylacetylenes have been conveniently synthesized in good to high yields via Sonogashira coupling of aryl iodides with (trimethylsilyl)acetylene catalyzed by MCM-41-supported mercapto palladium(0) complex,followed by desilylation under mild conditions.This polymeric palladium catalyst can be reused many times without any decrease in activity.

  10. Actual and potential nitrogen fixation in pea and field bean as affected by combined nitrogen

    NARCIS (Netherlands)

    Mil, van M.G.

    1981-01-01

    Actual nitrogen fixation of pea and field-bean plants, grown in soil in the open air, was determined as the acetylene reduction of nodulated roots. During the major part of the vegetative growth of these plants, actual nitrogen fixation was equal to the potential maximum nitrogenase activity of the

  11. The daily integral of nitrogen fixation by planktonic cyanobacteria in the Baltic Sea

    NARCIS (Netherlands)

    Stal, L.J.; Walsby, A.E.

    1998-01-01

    Measurements were made of the rates of nitrogenase activity (acetylene reduction) by cyanobacteria collected from the Baltic Sea at 2-h intervals, over a period of 24 h, and incubated under natural light. By relating the chlorophyll- specific rate of N-2 fixation (P-N) to the mean photon irradiance

  12. Post cold-storage conditioning time affects soil denitrifying enzyme activity

    OpenAIRE

    Chirinda, Ngonidzashe; J. E. Olesen; Porter, J R

    2011-01-01

    Soil denitrifying enzyme activity (DEA) is often assessed after cold storage.Previous studies using the short-term acetylene inhibition method have not considered conditioning time (post-cold storage warming-up time prior to soil analysis) as a factor influencing results. We observed fluctuations in DEA following cold storage, suggesting a need to consider conditioning time when planning and interpreting results.

  13. Nepheliosyne B, a New Polyacetylenic Acid from the New Caledonian Marine Sponge Niphates sp.

    Directory of Open Access Journals (Sweden)

    Patrick Auberger

    2013-06-01

    Full Text Available A new C47 polyoxygenated acetylenic acid, nepheliosyne B (2, along with the previously described nepheliosyne A (1, have been isolated from the New Caledonian marine sponge Niphates sp. Their structures have been elucidated on the basis of extensive spectroscopic analyses. These metabolites exhibited a moderate cytotoxicity against K562, U266, SKM1, and Kasumi cancer cell lines.

  14. Theoretical studies of the dynamics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Wagner, A.F. [Argonne National Laboratory, IL (United States)

    1993-12-01

    Recent research effort has focussed on several reactions pertinent to combustion. The formation of the formyl radical from atomic hydrogen and carbon monoxide, recombination of alkyl radicals and halo-alkyl radicals with halogen atoms, and the thermal dissociation of hydrogen cyanide and acetylene have been studied by modeling. In addition, the inelastic collisions of NCO with helium have been investigated.

  15. Fluoride-promoted rearrangement of organo silicon compounds : A new synthesis of 2-(arylmethyl)aldehydes from 1-alkynes

    NARCIS (Netherlands)

    Aronica, LA; Raffa, P; Caporusso, AM; Salvadori, P

    2003-01-01

    A new approach to 2-(arylmethyl)aldehydes 4 based upon a 1,2-anionotropic rearrangement of an aryl group is presented. The synthetic sequence begins with a silylformylation reaction of terminal acetylenes 5 with aryl and heteroaryl silanes 6, followed by treatment of the products (Z)-1 with TBAF. Th

  16. One pot synthesis of bis-silicon-bridged stilbene derivatives

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Bis-silicon-bridged stilbene derivatives were synthesized in a modified procedure that combined the preparation of bis[2-(silyl)phenyl]acetylene and its intrmolecular reductive cyclization in one pot. The results indicated that the one pot approach produced target products in a comparable yield to that of the two-step method reported previously.

  17. New uranium compounds preparation and use as catalyst for hydrogenation of non-saturated organic compounds

    International Nuclear Information System (INIS)

    Preparation of new organic uranium compounds and their use as catalysts for hydrogenation of non-saturated organic compounds are described. These compounds include Uranium III, a cyclopentadienic group, an alkyl group and an acetylenic derivative C6H5C triple bonds CR fixed by a π bond. Catalysts can be prepared with depleted uanium for hydrogenation of olefins for example

  18. Selective Bifunctional Modification of a Non-catenated Metal-Organic Framework Material via 'Click' Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Gadzikwa, Tendai; Farha, Omar K.; Malliakas, Christos D.; Kanatzidis, Mercouri G.; Hupp, Joseph T.; Nguyen, SonBinh T.; NWU

    2009-12-01

    A noncatenated, Zn-based metal-organic framework (MOF) material bearing silyl-protected acetylenes was constructed and postsynthetically modified using 'click' chemistry. Using a solvent-based, selective deprotection strategy, two different organic azides were 'clicked' onto the MOF crystals, resulting in a porous material whose internal and external surfaces are differently functionalized.

  19. Modulation of the charge transfer and photophysical properties in non-fused tetrathiafulvalene-benzothiadiazole derivatives.

    Science.gov (United States)

    Pop, Flavia; Seifert, Sabine; Hankache, Jihane; Ding, Jie; Hauser, Andreas; Avarvari, Narcis

    2015-01-28

    Bis(thiomethyl)- and bis(thiohexyl)-tetrathiafulvalene-bromo-benzothiadiazoles, containing electron donor tetrathiafulvalene (TTF) and electron acceptor benzothiadiazole (BTD) units, have been prepared by Stille coupling reactions between the TTF-SnMe3 precursors and BTD-Br2. In another series of experiments, TTF-acetylene-BTD compounds have been synthesized by Sonogashira coupling between either TTF-acetylenes and BTD-Br2 in low yields, or TTF-iodine and BTD-acetylene in moderate yields. In the compound TTF-C≡C-BTD the TTF and BTD units are coplanar in the solid state, as shown by the single crystal X-ray structure, and there is segregation in the packing between the donor and acceptor units. All the derivatives have good electron donor properties, as determined by cyclic voltammetry measurements, and they can also be reversibly reduced thanks to the presence of the BTD moiety. UV-visible spectroscopy and photophysical investigations show the presence of an intramolecular charge transfer (ICT) band and an emission band originating from the charge transfer. Both the absorption and the emission are modulated by the substitution scheme and the insertion of the acetylenic bridge. PMID:25410315

  20. Controlled Synthesis of Carbon-Encapsulated Copper Nanostructures by Using Smectite Clays as Nanotemplates

    NARCIS (Netherlands)

    Tsoufis, Theodoros; Colomer, Jean-Francois; Maccallini, Enrico; Jankovic, Lubos; Rudolf, Petra; Gournis, Dimitrios; Jankovič, Lubos

    2012-01-01

    Rhomboidal and spherical metallic-copper nanostructures were encapsulated within well-formed graphitic shells by using a simple chemical method that involved the catalytic decomposition of acetylene over a copper catalyst that was supported on different smectite clays surfaces by ion-exchange. These

  1. MODELLING OF THERMAL PROCESS OF DRAWING COVERINGS Моделирование теплового процесса нанесения покрытий

    Directory of Open Access Journals (Sweden)

    Gorokhovа M. N.

    2013-06-01

    Full Text Available The article shows that the distribution of temperature regime in EIS corresponds to a known process of cutting and surface plastic deformation with heating details with acetylene-oxygen burner, which allows to combine the process of welding filler powders with finish-hardening treatment with combined instrument in the form of a two-pole bracket

  2. New materials and biologically active preparations on the basis of (organilthio) chloroacetylene

    Institute of Scientific and Technical Information of China (English)

    D'yachkova; S.; G.

    2005-01-01

    (Organylthio)chloroacetylenes [RSC≡CCl, 1], the object of our systematic research, provide a promising source of new classes of polyfunctional compounds of acetylenic and polyheterocyclic seriesamong which biologically active substances, monomers and precursors for the preparation of new materials possessing a whole complex of valuable properties have been recognized.……

  3. New materials and biologically active preparations on the basis of (organilthio) chloroacetylene

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    @@ (Organylthio)chloroacetylenes [RSC≡CCl, 1], the object of our systematic research, provide a promising source of new classes of polyfunctional compounds of acetylenic and polyheterocyclic seriesamong which biologically active substances, monomers and precursors for the preparation of new materials possessing a whole complex of valuable properties have been recognized.

  4. Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry.

    Science.gov (United States)

    Ye, Chengfeng; Gard, Gary L; Winter, Rolf W; Syvret, Robert G; Twamley, Brendan; Shreeve, Jean'ne M

    2007-09-13

    1-Pentafluorosulfanyl acetylene and its derivatives react with azide or diazomethane giving rise to an SF5-substituted 1,2,3-triazole or pyrazole. The SF5 group increases density remarkably and as a result enhances the detonation performance of the energetic materials relative to the CF3 group.

  5. 48 CFR 25.104 - Nonavailable articles.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Nonavailable articles. 25... PROGRAMS FOREIGN ACQUISITION Buy American Act-Supplies 25.104 Nonavailable articles. (a) The following articles have been determined to be nonavailable in accordance with 25.103(b)(1)(i): Acetylene, black....

  6. Selecting the proper fuel gas for cost-effective oxyfuel cutting

    Energy Technology Data Exchange (ETDEWEB)

    Lyttle, K.A.; Stapon, W.F.G. [Praxair, Inc., Danbury, CT (United States); Guimaraes, A.

    1997-07-01

    The motivating factor behind recent research and development efforts in metal cutting has been the growing need for companies everywhere to embrace emerging technologies if they are to complete in the global economy. To quickly implement these productivity improvements and gain lower bottom line costs for welding and cutting operations, rapid commercialization of these process advancements is needed. Although initially more expensive, additive-enhanced fuel gases may be the most cost-effective choice for certain cutting applications. The cost of additive-enhanced fuel gases can be justified where oxygen pricing is low (such as with bulk oxygen). Propylene exhibited equal cutting speeds to acetylene and improved cutting economy under specific conditions, which involved longer cuts on thicker base materials. With a longer cut distance, the extra time required to reach the kindling temperature (when compared to acetylene) becomes less critical. It is important to note that kindling temperature was reached more rapidly with propylene than it was with propane, but both fuel gases were slower than acetylene. When factors such as these are considered, many applications are found to be more cost effectively performed with the more expensive acetylene or propylene fuel gases. Each individual application must be studied on a singular basis to determine the most cost-effective choice when selecting the fuel gas.

  7. Quantification of methane emissions from 15 Danish landfills using the mobile tracer dispersion method

    DEFF Research Database (Denmark)

    Mønster, Jacob; Samuelsson, Jerker; Kjeldsen, Peter;

    2015-01-01

    Whole-site methane emissions from 15 Danish landfills were assessed using a mobile tracer dispersion method with either Fourier transform infrared spectroscopy (FFIR), using nitrous oxide as a tracer gas, or cavity ring-down spectrometry (CRDS), using acetylene as a tracer gas. The landfills were...

  8. 16 CFR 301.19 - Pointing, dyeing, bleaching or otherwise artificially coloring.

    Science.gov (United States)

    2010-01-01

    ... “brightener added”. (e) The term artificial coloring means any change or improvement in color of a fur or fur... compound or solution effects any change or improvement in the color of the hair, fleece or fur fiber, such... for iron the air-acetylene flame should be as lean as possible. (6) A reagent blank should be...

  9. Preparation of Pt–Ru bimetallic catalyst supported on carbon nanotubes

    Indian Academy of Sciences (India)

    B Rajesh; K Ravindranathan Thampi; J -M Bonard; B Viswanathan

    2000-10-01

    The template carbonization of polyphenyl acetylene yields hollow, uniform cylindrical carbon nanotubes with outer diameter almost equal to pore diameter of the template used. High resolution transmission electron microscopic investigation reveals that Pt–Ru nanoparticles are highly dispersed inside the tube with an average particle size of 1.7 nm.

  10. Mild copper-catalyzed trifluoromethylation of terminal alkynes using an electrophilic trifluoromethylating reagent

    KAUST Repository

    Weng, Zhiqiang

    2012-03-01

    A catalytic process for trifluoromethylation of terminal alkynes with Togni\\'s reagent has been developed, affording trifluoromethylated acetylenes in good to excellent yields. The reaction is conducted at room temperature and exhibits tolerance to a range of functional groups. © 2012 Elsevier Ltd. All rights reserved.

  11. Integrating Carbon Nanotubes into Microfluidic Chip for Separating Biochemical Compounds

    DEFF Research Database (Denmark)

    Chen, Miaoxiang Max; Mogensen, Klaus Bo; Bøggild, Peter;

    2012-01-01

    We present a new type of device to separate biochemical compounds wherein carbon nanotubes (CNTs) are integrated as chromatographic stationary phase. The CNTs were directly grown on the bottom of microfluidic channels on Si/SiO2 substrates by chemical vapor deposition (CVD). Acetylene was used as...

  12. Gas phase pulse radiolysis. [Reaction with hydroxyl radical

    Energy Technology Data Exchange (ETDEWEB)

    Jonah, C.D.; Andong Liu; Mulac, W.A.

    1987-01-01

    Gas phase pulse radiolysis, a technique which can be used to study many different phenomena in chemistry and physics, is discussed. As a source of small radicals, pulse radiolysis is important to the field of chemistry, particularly to combustion and atmospheric kinetics. The reactions of 1,3-butadiene, allene, ethylene and acetylene with OH are presented. 52 refs., 1 fig., 1 tab.

  13. Low-noise mid-IR upconversion detector for improved IR-degenerate four-wave mixing gas sensing

    DEFF Research Database (Denmark)

    Høgstedt, Lasse; Dam, Jeppe Seidelin; Sahlberg, Anna-Lena;

    2014-01-01

    -to-noise ratio. The two detectors are compared for the detection of a coherent degenerate four-wave mixing (DFWM) signal in the mid-infrared, and applied to measure trace-level acetylene in a gas flow at atmospheric pressure, probing its fundamental rovibrational transitions. In addition to lower noise...

  14. Oxygen and nitrogen-doped metal-free carbon catalysts for hydrochlorination of acetylene☆

    Institute of Scientific and Technical Information of China (English)

    Tongtong Zhang; Jia Zhao; Jiangtao Xu; Jinhui Xu; Xiaoxia Di; Xiaonian Li

    2016-01-01

    Activated carbon was tested as metal-free catalyst for hydrochlorination of acetylene in order to circumvent the problem of environment pollution caused by mercury and high cost by noble metals. Oxygen-doped and nitrogen-doped activated carbons were prepared and characterized by XPS, TPD and N2 physisorption methods. The influences of the surface functional groups on the catalytic performance were discussed base on these results. Among al the samples tested, a nitrogen-doped sample, AC-n-U500, exhibited the best performance, the acety-lene conversion being 92%and vinyl chloride selectivity above 99%at 240 °C and C2H2 hourly space velocity 30 h−1. Moreover, the AC-n-U500 catalyst exhibited a stable performance during a 200 h test with a conversion of acetylene higher than 76%at 210 °C at a C2H2 hourly space velocity 50 h−1. In contrary, oxygen-doped catalyst had lower catalytic activities. A linear relationship between the amount of pyrrolic-N and quaternary-N species and the catalytic activity was observed, indicating that these nitrogen-doped species might be the active sites and the key in tuning the catalytic performance. It is also found that the introduction of nitrogen species into the sample could significantly increase the adsorption amount of acetylene. The deactivation of nitrogen-doped activated carbon might be caused by the decrease of the accessibility to or the total amount of active sites.

  15. Mono and dinuclear arene ruthenium(II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds

    Digital Repository Service at National Institute of Oceanography (India)

    Singh, K.S.; Svitlyk, V.; Mozharivskyj, Y.

    of coordinated azido compound ((Eta sup(6)-C sub(6)Me sub(6))Ru(L sub(1))N sub(3)) (1) with substituted acetylene, RO sub(2)CC sub(2)CO sub(2)R via unexpected oxidation of the coordinated ligand to oxalate (where; L sub(1)= 5-hydroxy-2-(hydroxymethyl)-4-pyrone; R...

  16. An Expedient Synthesis of the Sugarcane Borer Pheromone Components

    Directory of Open Access Journals (Sweden)

    Vasant R. Mamdapur

    1998-02-01

    Full Text Available A practical synthesis of the title compounds has been developed. The salient features of the synthesis were i use of easily accessible starting materials viz. aleuritic acid, 10-undecenoic acid, cyclohexanone etc. and ii fixation of the required olefinic geometry via Wittig and acetylenic routes.

  17. The Formation of Ethane from Carbon Dioxide under Cold Plasma

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Pulsed-corona plasma has been used as a new method for ethane dehydrogenation at low temperature and normal pressure using carbon dioxide as an oxidant in this paper. The effect of carbon dioxide content in the feed, power input, and flow rate of the reactants on the ethane dehydrogenation has been investigated. The experimental results show that the conversion of ethane increases with the increase in the amount of carbon dioxide in the feed. The yield of ethylene and acetylene decreases with the increase in the yield of carbon monoxide, indicating that the increased carbon dioxide leads to the part of ethylene and acetylene being oxidized to carbon monoxide. Power input is primarily an electrical parameter in pulsed-corona plasma, which plays an important role in reactant conversion and product formation. When the power input reaches 16 W, ethane conversion is 41.0% and carbon dioxide conversion is 26.3%. The total yield of ethylene and acetylene is 15.6%. The reduced flow rate of feed improves the conversion of ethane,carbon dioxide and the yield of acetylene, and induces carbon deposit as well.

  18. Evaluation of noninvasive cardiac output methods during exercise

    Science.gov (United States)

    Moore, Alan D.; Barrows, Linda H.; Rashid, Michael; Siconolfi, Steven F.

    1992-01-01

    Noninvasive techniques to estimate cardiac output (Qc) will be used during future space flight. This retrospective literature survey compared the Qc techniques of carbon dioxide rebreathing (CO2-R), CO2 single breath (CO2-S), Doppler (DOP), impedance (IM), and inert gas (IG: acetylene or nitrous oxide) to direct (DIR) assessments measured at rest and during exercise.

  19. Post-cold-storage conditioning time affects soil denitrifying enzyme activity

    DEFF Research Database (Denmark)

    Chirinda, Ngonidzashe; Olesen, Jørgen Eivind; Porter, John Roy

    2011-01-01

    Soil denitrifying enzyme activity (DEA) is often assessed after cold storage. Previous studies using the short-term acetylene inhibition method have not considered conditioning time (post-cold-storage warm-up time prior to soil analysis) as a factor influencing results. We observed fluctuations...

  20. [Severe ocular burns by calcium carbide in a speleologist: a case report].

    Science.gov (United States)

    Testud, F; Voegtlé, R; Nordmann, J P; Descotes, J

    2002-03-01

    A case of severe ocular burns in an amateur speleologist is reported. The explosion of his acetylene lamp caused the projection of calcium carbide particles, which induced burning of the cornea and conjunctiva in both eyes. He slowly recovered in several months. The pathophysiology of the burns, linked to the in situ production of lime, and their management are discussed.

  1. Scattering experiments with hydrogen and helium beams for the study of the interaction of H2, N2, and C2H2 with the (001)-surfaces of LiF, NaCl, KCl, and MgO

    International Nuclear Information System (INIS)

    In the present work the interaction of hydrogen, nitrogen and acetylene with the surfaces of ionic crystals has been investigated. These studies use the scattering of molecular hydrogen beams from clean surfaces as well as information on structure and dynamics of molecular adsorbates obtained from elastic and inelastic helium atom scattering. (orig.)

  2. Combination moisture and hydrogen getter

    Science.gov (United States)

    Harrah, L.A.; Mead, K.E.; Smith, H.M.

    1983-09-20

    A combination moisture and hydrogen getter comprises (a) a moisture getter comprising a readily oxidizable metal; and (b) a hydrogen getter comprising (1) a solid acetylenic compound and (2) a hydrogenation catalyst. A method of scavenging moisture from a closed container uses the combination moisture and hydrogen getter to irreversibly chemically reduce the moisture and chemically bind the resultant hydrogen.

  3. Formation of carbon nanotubes on iron/cobalt oxides supported on zeolite-Y : Effect of zeolite textural properties and particle morphology

    NARCIS (Netherlands)

    Triantafyllidis, K. S.; Karakoulia, S. A.; Gournis, D.; Delimitis, A.; Nalbandian, L.; Maccallini, E.; Rudolf, P.

    2008-01-01

    The effect of the textural properties and morphology of zeolite Y, used as support of iron (Fe) or cobalt (Co) oxides, on the quantity and quality of the multi-wall carbon nanotubes (MWNTs) synthesized by catalytic chemical vapour deposition (CCVD) of acetylene was studied. The parent zeolite Y was

  4. A new interstellar polyatomic molecule - Detection of propynal in the cold cloud TMC-1

    Science.gov (United States)

    Irvine, W. M.; Brown, R. D.; Cragg, D. M.; Godfrey, P. D.; Friberg, P.

    1988-01-01

    The detection of the acetylene derivative propynal in the cold cloud TMC-1, with an abundance that is very close to that for the related species tricarbon monoxide, is reported. Propadienone, an isomer of propynal, was not detected and is hence less abundant than either C3O or HC2CHO.

  5. Scattering and Chemical Investigations of Semiconductor Surfaces.

    Science.gov (United States)

    Wallace, Robert Milo

    1988-12-01

    This two-part thesis describes: (i) the design of an ion scattering system to examine the surface and near-surface region of semiconductors, and (ii) the chemical reaction channels of unsaturated hydrocarbons on the silicon (100) surface. Details on the design and construction of an ultrahigh vacuum, high-energy ion scattering system are presented. The use of MeV ion scattering to investigate surface and near -surface regions of materials is described and the combination of ion scattering with complimentary surface science techniques is stressed. The thermal activation of chemical bonds of the adsorbed unsaturated hydrocarbon molecules ethylene, propylene, and acetylene is investigated on the Si(100)-(2 times 11) surface with a goal of understanding the surface chemistry of Si-C formation. The use of precision dosing techniques, Low Energy Electron Diffraction, Auger Electron Spectroscopy, and Temperature Programmed Desorption in the investigation of the remaining carbonaceous species is described. Comparisons of the adsorption and desorption behavior of these molecules is made in terms of the carbon -carbon double and triple bonds (ethylene to acetylene) and the methyl functional group (ethylene to propylene). We find that the monolayer saturation coverage of these hydrocarbons is in very good agreement with the number of dimer sites on the surface estimated from scanning-tunneling microscopy, which suggests that the bonding of these hydrocarbons to the Si(100) surface is similar. It is also found that ethylene, in particular, does not provide an efficient Si-C reaction channel upon thermal activation, with nearly 100% of the ethylene molecules desorbing. In contrast, acetylene is found to be very efficient in SiC formation: >=q90% of the adsorbed acetylene thermally dissociates and eventually leads to SiC formation. Propylene has an efficiency of roughly 70% upon heating. Evidence for the diffusion of carbon into the bulk is seen at >=q850 K for propylene and

  6. Chemical inhibition of potato ABA-8'-hydroxylase activity alters in vitro and in vivo ABA metabolism and endogenous ABA levels but does not affect potato microtuber dormancy duration.

    Science.gov (United States)

    Suttle, Jeffrey C; Abrams, Suzanne R; De Stefano-Beltrán, Luis; Huckle, Linda L

    2012-09-01

    The effects of azole-type P450 inhibitors and two metabolism-resistant abscisic acid (ABA) analogues on in vitro ABA-8'-hydroxylase activity, in planta ABA metabolism, endogenous ABA content, and tuber meristem dormancy duration were examined in potato (Solanum tuberosum L. cv. Russet Burbank). When functionally expressed in yeast, three potato CYP707A genes were demonstrated to encode enzymatically active ABA-8'-hydroxylases with micromolar affinities for (+)-ABA. The in vitro activity of the three enzymes was inhibited by the P450 azole-type inhibitors ancymidol, paclobutrazol, diniconazole, and tetcyclasis, and by the 8'-acetylene- and 8'-methylene-ABA analogues, with diniconazole and tetcyclasis being the most potent inhibitors. The in planta metabolism of [(3)H](±)-ABA to phaseic acid and dihydrophaseic acid in tuber meristems was inhibited by diniconazole, tetcyclasis, and to a lesser extent by 8'-acetylene- and 8'-methylene-ABA. Continuous exposure of in vitro generated microtubers to diniconazole resulted in a 2-fold increase in endogenous ABA content and a decline in dihydrophaseic acid content after 9 weeks of development. Similar treatment with 8'-acetylene-ABA had no effects on the endogenous contents of ABA or phaseic acid but reduced the content of dihydrophaseic acid. Tuber meristem dormancy progression was determined ex vitro in control, diniconazole-, and 8'-acetylene-ABA-treated microtubers following harvest. Continuous exposure to diniconazole during microtuber development had no effects on subsequent sprouting at any time point. Continuous exposure to 8'-acetylene-ABA significantly increased the rate of microtuber sprouting. The results indicate that, although a decrease in ABA content is a hallmark of tuber dormancy progression, the decline in ABA levels is not a prerequisite for dormancy exit and the onset of tuber sprouting. PMID:22664582

  7. Formation of molybdenum boride cermet coating by the detonation spray process

    Science.gov (United States)

    Yang, Gao; Zu-Kun, Hei; Xiaolei, Xu; Gang, Xin

    2001-09-01

    The effects of the powder particle size and the acetylene/oxygen gas flow ratio during the detonation spray process on the amount of molybdenum phase, porosity, and hardness of the coatings using MoB powder were investigated by x-ray diffraction (XRD), scanning electron microscopy (SEM), etc. The results show that the presence of metallic molybdenum in the coating results from decomposition of MoB powder during thermal spray. The compositions of the coatings are metallic Mo, MoB, and Mo2B, which are different from the phases of the original powder. The amount of molybdenum phase increases monotonously with the oxygen/acetylene ratio, but the increasing rate for the fine powder is faster than that for the coarse powder. The porosity and hardness of the coating are related to the amount of molybdenum phase. The phase constitution of the coating is discussed.

  8. Improved adherence of sputtered titanium carbide coatings on nickel- and titanium-base alloys

    Science.gov (United States)

    Wheeler, D. R.; Brainard, W. A.

    1979-01-01

    Rene 41 and Ti-6Al-4V alloys were radio frequency sputter coated with titanium carbide by several techniques in order to determine the most effective. Coatings were evaluated in pin-on-disk tests. Surface analysis by X-ray photoelectron spectroscopy was used to relate adherence to interfacial chemistry. For Rene 41, good coating adherence was obtained when a small amount of acetylene was added to the sputtering plasma. The acetylene carburized the alloy surface and resulted in better bonding to the TiC coating. For Ti-6Al-4V, the best adherence and wear protection was obtained when a pure titanium interlayer was used between the coating and the alloy. The interlayer is thought to prevent the formation of a brittle, fracture-prone, aluminum oxide layer.

  9. INFLUENCE OF BACKBONE RIGIDITY ON THE LIQUID CRYSTALLINITY OF MESOGEN-CONTAINING POLYACETYLENES

    Institute of Scientific and Technical Information of China (English)

    1998-01-01

    Two acetylene polymers containing cyanobiphenyl-based mesogens,poly{10-[((4'-cyano-4-biphenylyl)oxy)carbonyl]-1-decyne} (PA8CN), which has a relatively flexible polyalkyne backbone, and poly {[4-(((12-((4'-cyano-4-biphenylyl)oxy)dodecyl)oxy)carbonyl) phenyl]-acetylene} (PB12CN), which has a fairly rigid poly(phenylacetylene)backbone, were synthesized using respectively WCl6 and [Rh(nbd)Cl]2 as the catalysts.PA8CN exhibits enantiotropic interdigitated smectic A phase (SAd) over a temperature range as wide as ca. 100℃, whereas PB12CN is non-mesomorphic, demonstrating that the backbone rigidity plays an important role in determining the liquid crystallinity of the polyacetylenes.

  10. Characterization of Carbon Particulates in the Exit Flow of a Plasma Pyrolysis Assembly (PPA) Reactor

    Science.gov (United States)

    Green, Robert D.; Meyer, Marit E.; Agui, Juan H.; Berger, Gordon M.; Vijayakumar, R.; Abney, Morgan B.; Greenwood, Zachary

    2015-01-01

    The ISS presently recovers oxygen from crew respiration via a Carbon Dioxide Reduction Assembly (CRA) that utilizes the Sabatier chemical process to reduce captured carbon dioxide to methane (CH4) and water. In order to recover more of the hydrogen from the methane and increase oxygen recovery, NASA Marshall Space Flight Center (MSFC) is investigating a technology, plasma pyrolysis, to convert the methane to acetylene. The Plasma Pyrolysis Assembly (or PPA), achieves 90% or greater conversion efficiency, but a small amount of solid carbon particulates are generated as a side product and must be filtered before the acetylene is removed and the hydrogen-rich gas stream is recycled back to the CRA. In this work, we present the experimental results of an initial characterization of the carbon particulates in the PPA exit gas stream. We also present several potential options to remove these carbon particulates via carbon traps and filters to minimize resupply mass and required downtime for regeneration.

  11. Dissociative electron attachment to HCCH, HCN and HCCCN

    Energy Technology Data Exchange (ETDEWEB)

    Chourou, S T; Orel, A E, E-mail: stchourou@ucdavis.ed, E-mail: aeorel@ucdavis.ed [Department of Applied Science, University of California, Davis, CA-95616 (United States)

    2009-11-01

    Previous work on the dissociative electron attachment (DEA) to acetylene, hydrogen cyanide and its isomer and cyano-acetylene shows that the dissociation process for these systems is inherently polyatomic. We present a comparative summary of the study of these species believed to play a role in the chemistry of interstellar media and to present key elements in the prebiotic synthesis in early Earth. Our treatment was carried out in the low energy range (0-6 eV for HCCH and HCN/HNC and 0-12 eV for HCCCN) using a suitable coordinate system that allows taking into account distortions in the symmetry of the polyatomic target molecule. Computations show that these systems exhibit an intrinsic polyatomic behavior as they break apart.

  12. Um estudo teórico relativo à não-linearidade da ligação de hidrogênio em sistemas heterocíclicos C2H4O-C2H2 e C2H4S-C2H2 A theoretical study about the non-linearity of the hydrogen bonding in the C2H4O-C2H2 and C2H4S-C2H2 heterocyclic systems

    Directory of Open Access Journals (Sweden)

    Boaz G. Oliveira

    2007-10-01

    Full Text Available B3LYP/6-31G(d,p calculations were used to determine the optimized geometries of the C2H4O-C2H2 and C2H4S-C2H2 heterocyclic hydrogen-bonded complexes. Results of structural, rotational, electronic and vibrational parameters indicate that the hydrogen bonding is non-linear due to the pi bond of the acetylene interacting with the hydrogen atoms of the methyl groups of the three-membered rings. Moreover, the theoretical investigation showed that the non-linearity is much more intriguing, since there is a structural disjunction on the acetylene within the heterocyclic system.

  13. Building Conjugated Organic Structures on Si(111) Surfaces via Microwave-Assisted Sonogashira Coupling

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Jui-Ching; Kim, Jun-Hyun; Kellar, Joshua A.; Hersam, Mark C.; Nguyen, SonBinh T.; Bedzyk, Michael J. (NWU)

    2010-08-27

    A novel step-by-step method employing microwave-assisted Sonogashira coupling is developed to grow fully conjugated organosilicon structures. As the first case study, p-(4-bromophenyl)acetylene is covalently conjugated to a p-(4-iodophenyl)acetylene-derived monolayer on a Si(111) surface. By bridging the two aromatic rings with C {triple_bond} C, the pregrown monolayer is structurally extended outward from the Si surface, forming a fully conjugated (p-(4-bromophenylethynyl)phenyl)vinylene film. The film growth process, which reaches 90% yield after 2 h, is characterized thoroughly at each step by using X-ray reflectivity (XRR), X-ray standing waves (XSW), and X-ray fluorescence (XRF). The high yield and short reaction time offered by microwave-assisted surface Sonogashira coupling chemistry make it a promising strategy for functionalizing Si surfaces.

  14. Interference and diffraction in photoelectron spectra

    Energy Technology Data Exchange (ETDEWEB)

    Decleva, P., E-mail: decleva@univ.trieste.it; Ponzi, A.; Santizo, I.

    2014-08-15

    Highlights: • High energy oscillations in the photoionization cross sections. • Interference and diffraction in molecular photoionization. • Non-stoichiometric cross sections. • Core and valence photoionization cross sections in haloacetylenes. - Abstract: Theoretical calculations are employed to disentangle the effect due to coherent emission from equivalent centres and diffraction from neighbouring inequivalent atoms in core and valence photoelectron spectra. The molecules investigated are mono and disubstituted fluoro and iodo acetylenes, compared to the simple acetylene system. The two effects appear well separated and additive in the core region, with diffraction giving oscillations of smaller amplitude, shorter period, and more strongly damped. Their interplay is more complex in the valence region giving rise to irregular patterns which, although rich in information, are more difficult to analyze. It is shown that the use of an external standard molecule can be profitably used to reveal diffraction patterns in the case where no internal ratio is available.

  15. Steering of hydrogen migration in hydrocarbons using intense few-cycle laser fields

    Science.gov (United States)

    Li, Hui; Kuebel, Matthias; Burger, Christian; Kling, Nora; Foerg, Benjamin; Zherebtsov, Sergey; Kling, Matthias; Kaziannis, Spyros; Siemering, Robert; de Vivie-Riedle, Regina; Stierle, Johannes; Kessel, Alexander; Betsch, Kelsie; Bergues, Boris; Trushin, Sergei; Alnaser, Ali; Azzeer, Abdallah; Ben-Itzhak, Itzik; Moshammer, Robert

    2016-05-01

    Structural rearrangements in hydrocarbons, namely acetylene, allene and toluene, are initiated by phase- and intensity-controlled few-cycle laser pulses. The momentum distributions of several ionic fragments are monitored using single-shot VMI and COLTRIMS. The results show that the hydrogen migration in these hydrocarbons can be steered by changing the CEP and the intensity of the few-cycle pulses. Quantum dynamical calculations performed on acetylene and allene show that a superposition of vibrational modes can be created by wave-form controlled few-cycle laser fields, which will result in a directionality of the hydrogen migration. This mechanism, which appears to be of general importance for such complex molecules, should also be able to explain the molecular dynamics observed in toluene.

  16. Methane Post-Processor Development to Increase Oxygen Recovery beyond State-of-the-Art Carbon Dioxide Reduction Technology

    Science.gov (United States)

    Abney, Morgan B.; Greenwood, Zachary; Miller, Lee A.; Alvarez, Giraldo; Iannantuono, Michelle; Jones, Kenny

    2013-01-01

    State-of-the-art life support carbon dioxide (CO2) reduction technology, based on the Sabatier reaction, is theoretically capable of 50% recovery of oxygen from metabolic CO2. This recovery is constrained by the limited availability of reactant hydrogen. Post-processing of the methane byproduct from the Sabatier reactor results in hydrogen recycle and a subsequent increase in oxygen recovery. For this purpose, a Methane Post-Processor Assembly containing three sub-systems has been developed and tested. The assembly includes a Methane Purification Assembly (MePA) to remove residual CO2 and water vapor from the Sabatier product stream, a Plasma Pyrolysis Assembly (PPA) to partially pyrolyze methane into hydrogen and acetylene, and an Acetylene Separation Assembly (ASepA) to purify the hydrogen product for recycle. The results of partially integrated testing of the sub-systems are reported

  17. Azide- and Alkyne-Functionalised α- and β3-Amino Acids

    DEFF Research Database (Denmark)

    Sminia, T.J.; Pedersen, Daniel Sejer

    2012-01-01

    The synthesis and full characterisation of bifunctional β -amino acids that have side chains functionalised with terminal azides (S)-4 and (R)-4 or acetylenes 5 and 6 is reported for the first time. The building blocks incorporate a turn-inducing β -segment and a side chain that can be functional......The synthesis and full characterisation of bifunctional β -amino acids that have side chains functionalised with terminal azides (S)-4 and (R)-4 or acetylenes 5 and 6 is reported for the first time. The building blocks incorporate a turn-inducing β -segment and a side chain that can...... be functionalised further, for example, through copper-catalysed Huisgen cycloaddition. Moreover, the corresponding α-amino acids 1 and 3 have been synthesised and characterised. All amino acid building blocks were of high optical purity as demonstrated by derivatisation and subsequent NMR analysis. © Georg Thieme...

  18. Absorption Line Profile Recovery Based on TDLS and MEMS Micro-Mirror for Photoacoustic Gas Sensing

    Institute of Scientific and Technical Information of China (English)

    LI Li; Norhana Arsad; George Stewart; Graham Thursby; Deepak Uttamchandani; Brian Culshaw; WANG Yi-ding

    2011-01-01

    A novel and efficient absorption line recovery technique is presented. A micro-electromechanical systems (MEMS) mirror driven by an electrothermal actuator is used to generate laser intensity modulation through the mirror reflection. Tunable diode laser spectroscopy (TDLS) and photoacoustic spectroscopy (PAS) are used to recover the target absorption line profile which is compared with the theoretical Voigt profile. The target gas is 0.01% acetylene (C2 H2 ) in a nitrogen host gas. The laser diode wavelength is swept across the P17 absorption line of acetylene at 1 535.4 nm by a current ramp, and an erbium-doped fibre amplifier (EDFA) is used to enhance the optical intensity and increase the signal-to-noise ratio (SNR). A SNR of about 35 is obtained with 100 mW laser power from the EDFA Good agreement is achieved between the experimental results and the theoretical simulation for the P17 absorption line profile.

  19. Nitrogen fixation by the Azolla-Anabaena azollae symbiosis

    International Nuclear Information System (INIS)

    A concise outline is presented on the main characteristics of the Azolla association in relation to tropical wetland rice cultivation and the nitrogen economy of paddy soils. Due to the presence of a nitrogen fixing cyanobiont occurring in a special leaf cavity of the Azolla leaf, the water fern Azolla can grow in a nitrogen-deficient environment and is able to contribute considerably to the nitrogen status of the soil. An experimental set-up is presented for how the nitrogen-fixing capacity of Azolla plants can be measured in the field by means of the acetylene reduction assay using a rather simple glass vessel. A comparison was made between 15N2 fixation by Azolla and acetylene reduction of Azolla plants under identical conditions

  20. Effects of herbicide butachlor on soil microorganisms and on nitrogen-fixing abilities in paddy soil.

    Science.gov (United States)

    Chen, Wen-Ching; Yen, Jui-Hung; Chang, Ching-Shu; Wang, Yei-Shung

    2009-01-01

    The composition of culture-independent microbial communities and the change of nitrogenase activities under the application of butachlor in paddy soil were investigated. Nitrogen-fixation ability was expressed by the amount of acetylene reduction, and changes of microbial communities were studied by using denaturing gradient gel electrophoresis (DGGE) technique; afterward, minimum distance (MD, in brief) statistics was applied to determine the cluster numbers in UPGMA dendrograms. The results showed that the reduction of acetylene was suppressed shortly after butachlor application but was augmented after 37 days in both upper and lower layer soils. From UPGMA dendrograms, the diazotrophic divergences ranged from 33% to 64% throughout rice growth stages. For general bacterial communities, the diversities ranged from 28% to 52%. The divergences became higher with the cultivation period, and the application of butachlor imposed a significant variation on microbial community shift, which may be a reason for the boosting nitrogen-fixation ability in paddy soils.

  1. Interaction of Azospirillum brasilense and Glomus intrarradix in Sugar Cane Roots.

    Science.gov (United States)

    Bellone, Carlos H; de Bellone Silvia, Carrizo

    2012-03-01

    Fifteen-day-old variety NA 56-79 sugar cane seedlings were inoculated with Azospirillum brasilense and Glomus intrarradix. This article aims at examining changes in sugar cane root seedlings inoculated with Glomus intrarradix and Azospirillum brasilense, the increase in microbial biomass and the acetylene reduction process as well. The internal root colonization was studied 20 days after inoculation using scanning and a transmission electron microscope. Both microorganisms entered the sugar cane root through the emergent lateral roots. The microorganisms were capable of coexisting both intra and intercellularly, producing changes in the cell wall, thus allowing colonization and interaction between the organisms. These changes increased the number of microorganisms inside the root as well as acetylene nitrogen reduction. Sugar cane plant biomass increased with joint-inoculation. The number of endophytic microorganisms and nitrogen fixing activity increased when they were colonized by Azospirillum and Glomus together.

  2. Calcium carbide poisoning via food in childhood.

    Science.gov (United States)

    Per, Hüseyin; Kurtoğlu, Selim; Yağmur, Fatih; Gümüş, Hakan; Kumandaş, Sefer; Poyrazoğlu, M Hakan

    2007-02-01

    The fast ripening of fruits means they may contain various harmful properties. A commonly used agent in the ripening process is calcium carbide, a material most commonly used for welding purposes. Calcium carbide treatment of food is extremely hazardous because it contains traces of arsenic and phosphorous. Once dissolved in water, the carbide produces acetylene gas. Acetylene gas may affect the neurological system by inducing prolonged hypoxia. The findings are headache, dizziness, mood disturbances, sleepiness, mental confusion, memory loss, cerebral edema and seizures. We report the case of a previously healthy 5 year-old girl with no chronic disease history who was transferred to our Emergency Department with an 8-h history of coma and delirium. A careful history from her father revealed that the patient ate unripe dates treated with calcium carbide.

  3. Soot and SO2 contribution to the supersites in the MILAGRO campaign from elevated flares in the Tula Refinery

    OpenAIRE

    Sosa, G.; Molina, L. T.; V. H. Almanza

    2012-01-01

    This work presents a simulation of the plume trajectory emitted by flaring activities of the Miguel Hidalgo Refinery in Mexico. The flame of a representative sour gas flare is modeled with a CFD combustion code in order to estimate emission rates of combustion by-products of interest for air quality: acetylene, ethylene, nitrogen oxides, carbon monoxide, soot and sulfur dioxide. The emission rates of NO2 and SO2 were compared with measurements obtained at Tula as part of MILAGRO field campaig...

  4. Soot and SO2 contribution to the supersites in the MILAGRO campaign from elevated flares in the Tula Refinery

    OpenAIRE

    V. H. Almanza; Molina, L. T.; Sosa, G.

    2012-01-01

    This work presents a simulation of the plume trajectory emitted by flaring activities of the Miguel Hidalgo Refinery in Mexico. The flame of a representative sour gas flare is modeled with a CFD combustion code in order to estimate emission rates of combustion by-products of interest for air quality: acetylene, ethylene, nitrogen oxides, carbon monoxide, soot and sulfur dioxide. The emission rates of NO2 and SO2 were compared with measurements obtained at Tula as part of MIL...

  5. Influence of the initial pressure in bubble media on the detonation wave parameters

    Science.gov (United States)

    Sychev, A. I.

    2015-04-01

    The influence of the initial pressure in bubble media on the initiation, structure, velocity, and pressure of detonation waves in single-component bubble media is studied. The test medium (bubbles of a stoichiometric acetylene-oxygen mixture in a hydroglyceric solution) falls under the category of "chemically inactive liquid—bubbles of a chemically active gas." It is found that one can effectively control the parameters of bubble detonation waves by varying the initial pressure in the bubble medium.

  6. Selective Functionalization of Independently Addressed Microelectrodes by Electrochemical Activation and Deactivation of a Coupling Catalyst

    OpenAIRE

    Devaraj, Neal. K.; Dinolfo, Peter H.; Chidsey, Christopher E. D.; Collman, James P.

    2006-01-01

    We demonstrate selective functionalization of independently addressed microelectrodes by electrochemical activation and deactivation of a coupling catalyst. 1,2,3-Triazole formation between terminal acetylenes and organic azides is efficiently catalyzed by copper(I) complexes (a Sharpless “click” reaction) while the oxidized copper (II) complexes are inactive. By electrochemically activating or deactivating the catalyst by switching its redox state, we demonstrate control over triazole format...

  7. Ring expansion of a 2-rhodaoxetane: insertion chemistry with unsaturated molecules.

    Science.gov (United States)

    Desnoyer, Addison N; Dauth, Alexander; Patrick, Brian O; Love, Jennifer A

    2014-01-01

    A 2-rhodaoxetane was found to react with unsaturated electrophiles, such as highly electron-deficient acetylene dicarboxylates, CS2 and various aldehydes, to form a series of six-membered metallacycles. These metallacycles were characterized by (1)H, (13)C and 2D NMR spectroscopic techniques, as well as HRMS and, for one complex, XRD. In some cases, the insertions were found to be reversible.

  8. A general catalytic reaction sequence to access alkaloid-inspired indole polycycles.

    Science.gov (United States)

    Danda, Adithi; Kumar, Kamal; Waldmann, Herbert

    2015-05-01

    A catalytic two-step reaction sequence was developed to access a range of complex heterocyclic frameworks based on biorelevant indole/oxindole scaffolds. The reaction sequence includes catalytic Pictet-Spengler cyclization followed by Au(I) catalyzed intramolecular hydroamination of acetylenes. A related cascade polycyclization of a designed β-carboline embodying a 1,5-enyne group yields the analogues of the alkaloid harmicine. PMID:25846800

  9. Properties of Chemically Combusted Calcium Carbide Residue and Its Influence on Cement Properties

    OpenAIRE

    Hongfang Sun; Zishanshan Li; Jing Bai; Shazim Ali Memon; Biqin Dong; Yuan Fang; Weiting Xu; Feng Xing

    2015-01-01

    Calcium carbide residue (CCR) is a waste by-product from acetylene gas production. The main component of CCR is Ca(OH)2, which can react with siliceous materials through pozzolanic reactions, resulting in a product similar to those obtained from the cement hydration process. Thus, it is possible to use CCR as a substitute for Portland cement in concrete. In this research, we synthesized CCR and silica fume through a chemical combustion technique to produce a new reactive cementitious powder (...

  10. 一种减少水环压缩机腐蚀的方法%One Way to Reduce Corrosion of Water- ring Vacuum Pump

    Institute of Scientific and Technical Information of China (English)

    王广阔; 王德祥

    2012-01-01

    In acetylene production process, by increasing circulation of sodium hypochlorite, could reduce corrosion of water - ring vacuum pump because of acid from chemical reaction.%介绍了乙炔清净工艺中,通过增加次氯酸钠的循环量,减少反应中产生的酸对水环压缩机的腐蚀。

  11. Characterization of the different spectral forms of glutamate 1-semialdehyde aminotransferase by mass spectrometry

    DEFF Research Database (Denmark)

    Brody, S; Andersen, Jens S.; Kannangara, C G;

    1995-01-01

    Glutamate 1-semialdehyde aminotransferase produces delta-aminolevulinate for the synthesis of chlorophyll, heme, and other tetrapyrrole pigments. The native enzyme from Synechococcus is pale yellow and has absorption maxima at 338 and 418 nm from vitamin B6. Yellow, colorless, and pink forms of t...... reduction. Acetylenic GABA attached covalently to the enzyme produced an additional mass peak, 123-126 mass units higher, in the electrospray ionization spectrum.(ABSTRACT TRUNCATED AT 250 WORDS)...

  12. Nitrocarburising in ammonia-hydrocarbon gas mixtures

    DEFF Research Database (Denmark)

    Pedersen, Hanne; Christiansen, Thomas; Somers, Marcel A. J.

    2010-01-01

    The present work investigates the possibility of nitrocarburising in ammonia-acetylene-hydrogen and ammoniapropene- hydrogen gas mixtures, where unsaturated hydrocarbon gas is the carbon source during nitrocarburising. Consequently, nitrocarburising is carried out in a reducing atmosphere...... and straightforward control of the carburizing and nitriding potentials is in principle possible. The nitrocarburising response of unalloyed (ARMCO) Fe was investigated in a thermobalance during controlled nitrocarburising at 580°C. The “cases” obtained on nitrocarburised iron were characterized by reflected light...

  13. Device for Underwater Laboratory Simulation of Unconfined Blast Waves

    OpenAIRE

    Courtney, Elijah; Courtney, Amy; Courtney, Michael

    2015-01-01

    Shock tubes simulate blast waves to study their effects in air under laboratory conditions; however, few experimental models exist for simulating underwater blast waves that are needed for facilitating experiments in underwater blast transmission, determining injury thresholds in marine animals, validating numerical models, and exploring mitigation strategies for explosive well removals. This method incorporates an oxy-acetylene driven underwater blast simulator which creates peak blast press...

  14. An intramolecular inverse electron demand Diels–Alder approach to annulated α-carbolines

    Directory of Open Access Journals (Sweden)

    Zhiyuan Ma

    2012-06-01

    Full Text Available Intramolecular inverse electron demand cycloadditions of isatin-derived 1,2,4-triazines with acetylenic dienophiles tethered by amidations or transesterifications proceed in excellent yields to produce lactam- or lactone-fused α-carbolines. Beginning with various isatins and alkynyl dienophiles, a pilot-scale library of eighty-eight α-carbolines was prepared by using this robust methodology for biological evaluation.

  15. Estimation of N-2 Fixation in four tropical leguminous trees in Sri Lanka

    International Nuclear Information System (INIS)

    DiNitrogen-fixing capacity of four species of leguminous trees of Sri Lanka (Abarema bigemina, Adenanthera bicolor, Humboldtia laurifolia and Pericopsis mooniana) by analyzing their xylem sap and by taking acetylene reducyion (AR) measurements of nodulated roots of all species, except A.bicolor which had no nodules. Based on the results of the study on P.mooniana, a method to determine the C2H2/N2 conversion factor by analysing the total NH2 compounds is being developed

  16. Polymerization of Phenylacetylene-Based Monodendrons with Alkoxy Peripheral Groups and Oxygen/Nitrogen Permeation Behavior of Their Membranes

    Directory of Open Access Journals (Sweden)

    Takashi Kaneko

    2012-01-01

    Full Text Available Monodendron monomers with alkoxy peripheral groups were synthesized, and the focal point of monodendrons, terminal acetylene, was polymerized with rhodium catalyst to yield corresponding polydendrons with a high molecular weight. The polydendrons were soluble in common organic solvents and readily formed membranes. Oxygen permselectivity was improved in the polydendrons with a space-persistent dendritic crowd. It was found that the well-defined dendritic and rod-like structure of the polydendrons was useful for permselective membrane.

  17. Effect of plant photosynthesis, carbon sources and ammonium availability on nitrogen fixation rates in the rhizosphere of Zostera noltii

    OpenAIRE

    Welsh, Dt; Bourgues, S; Dewit, R; Auby, Isabelle

    1997-01-01

    Rates of nitrogen fixation (measured as acetylene reduction) in the rhizosphere of the seagrass Zostera noltii were highly dependent upon plant photosynthetic activity being significantly stimulated at elevated CO2 concentrations and by light, both in the short-term and over diurnal cycles. Stimulation by light became insignificant when 5 mM sucrose was added to the sediment porewater, indicating that in the absence of added carbon sources, light stimulation was due to direct inputs of plant ...

  18. N2-fixation by freshly isolated Nostoc from coralloid roots of the cycad Macrozamia riedlei (Fisch. ex Gaud.) Gardn

    International Nuclear Information System (INIS)

    Nitrogenase (EC 1.7.99.2) activity (acetylene reduction) and nitrogen fixation (15N2 fixation) were measured in cyanobacteria freshly isolated from the coralloid roots of Macrozamia riedlei (Fisch. ex Gaud.) Gardn. The data indicate that cyanobacteria within cycad coralloid roots are differentiated specifically for symbiotic functioning in a microaerobic environment. Specializations include a high heterocyst frequency, enhanced permeability to O2, and a direct dependence on the cycad for substrates to support nitrogenase activity

  19. Inhibition of existing denitrification enzyme activity by chloramphenicol.

    OpenAIRE

    Brooks, M H; Smith, R L; Macalady, D L

    1992-01-01

    Chloramphenicol completely inhibited the activity of existing denitrification enzymes in acetylene-block incubations with (i) sediments from a nitrate-contaminated aquifer and (ii) a continuous culture of denitrifying groundwater bacteria. Control flasks with no antibiotic produced significant amounts of nitrous oxide in the same time period. Amendment with chloramphenicol after nitrous oxide production had begun resulted in a significant decrease in the rate of nitrous oxide production. Chlo...

  20. Effect of oxygen/fuel ratio on the in-flight particle parameters and properties of HVOF WC–CoCr coatings

    OpenAIRE

    Picas Barrachina, Josep Anton; Punset Fusté, Miquel; Baile Puig, Maria Teresa; Martín Fuentes, Enrique; Forn Alonso, Antonio

    2010-01-01

    High Velocity Oxy-Fuel (HVOF) spray techniques can produce high performance alloy and cermet coatings for applications that require wear resistant surfaces. In HVOF spraying heat is produced by burning mixtures of oxygen and fuel, mainly hydrogen, kerosene, propane, propylene, natural gas or acetylene. In these processes, the particle velocity and temperature determine the resultant coating properties and in many cases enables a better understanding of the process. The aim o...

  1. 世界七カ国の乳児用調製粉乳中のリチウム含有量とリチウムの起源

    OpenAIRE

    玉利, 祐三; Yuzo, Tamari

    2005-01-01

    The trace lithium content of infant formulas was determined by flame photometry using the atomic absorption spectrophotometer with air-acetylene flame, after the decomposition of a sample with nitric-perchloric acid mixture. Infant formulas were divided into five groups; cow's milk-based, goat-based, soy-based, special use (for allergy or diarrhea infants) formulas and milk-powder for cuisine; collected from seven countries of Japan, Korea, USA, Belgium, Spain, Canada and New Zealand. There w...

  2. Predictive QSPR analysis of corrosion inhibitors for super 13% Cr steel in hydrochloric acid

    OpenAIRE

    S. P. Cardoso; J. A. C. P. Gomes; L. E. P. Borges; E. Hollauer

    2007-01-01

    An experimental and theoretical study on the inhibition corrosion efficiencies of twenty three compounds in hydrochloric acid (15% w/v) on 13% Cr modified stainless steel (martensitic) has been carried out. This inhibitor set includes amines, thiourea derivatives and acetylenic alcohols. Experimental weight losses at 60ºC were correlated with group and quantum AM1 descriptors obtained from QSPR analysis. Such data, for a large set of molecules, offer a unique opportunity for searching for cor...

  3. Penetapan Kadar Kalium, Natrium dan Magnsium pada Semangka (Citrullus vulgaris, Schard) secara Spektrofotometri Serapan Atom.

    OpenAIRE

    Saraan, Sri Muftri Diani

    2012-01-01

    Watermelon is a tropical fruit which is favoured by people cause of it tastes crisp and sweet. Some informed that this fruit can decrease blood pressure cause of its potassium content. The aim of this research is to have a quantitative levels of potassium, sodium and magnesium in yellow and red watermelon’s fruit flesh, also in seed and seedless watermelon. Quantitative analysis is done by atomic absorption spectrophotometer with acetylene-air flame. Potassium, sodium and magnesium are qua...

  4. Design, synthesis, characterization and study of novel conjugated polymers

    Energy Technology Data Exchange (ETDEWEB)

    Chen, W.

    1997-06-24

    After introducing the subject of conjugated polymers, the thesis has three sections each containing a literature survey, results and discussion, conclusions, and experimental methods on the following: synthesis, characterization of electroluminescent polymers containing conjugated aryl, olefinic, thiophene and acetylenic units and their studies for use in light-emitting diodes; synthesis, characterization and study of conjugated polymers containing silole unit in the main chain; and synthesis, characterization and study of silicon-bridged and butadiene-linked polythiophenes.

  5. Formation of Nodular Structures and Nitrogen Fixation by Rhizobia on Oilseed Rape Roots Following Treatment with Pectionolytic Bacteria

    Institute of Scientific and Technical Information of China (English)

    HUXIAOJIA; ZHANGXUEJIANG

    1996-01-01

    Nodular structures were formed by rhizobia on oilseed rape oilseed rape roots following treatment with pectinolytic bacteria.Nodules developed within 50 days.Photomicrograph of nodule cells showed that the capsulated bacteria were intracellular.Rhizobia resolated from the root nodules retained not only the ability of nodulation but also the characteristic of resistance to 100μg neomycin mL-1,A low nitrogenase activity of the nodules was determined by the method of acetylene reduction.

  6. Denitrification in Marl and Peat Sediments in the Florida Everglades

    OpenAIRE

    Gordon, A S; Cooper, W. J.; Scheidt, D. J.

    1986-01-01

    The potential for denitrification in marl and peat sediments in the Shark River Slough in the Everglades National Park was determined by the acetylene blockage assay. The influence of nitrate concentration on denitrification rate and N2O yield from added nitrate was examined. The effects of added glucose and phosphate and of temperature on the denitrification potential were determined. The sediments readily denitrified added nitrate. N2O was released from the sediments both with and without a...

  7. Four New Minor Compounds from Seeds of Plantago asiatica.

    Science.gov (United States)

    Gao, Zhonghua; Zhang, Ling; Kong, Lingmei; Yang, Yan; Pu, Debing; Gao, Junbo; Shang, Shanzhai; Li, Yan; Xiao, Weilie

    2016-05-01

    Four new compounds, a dibenzylbutane lignin, plasiaticine F (1), an acetylenic glycoside, plasiaticine G (2), an indole alkaloid, plasiaticine H (3), and an ionone derivative, plasiaticine I (4), were isolated from the seeds of Plantago asiatica. The structures of the new compounds were elucidated on the basis of comprehensive analysis of spectroscopic data. Compounds 1-3 were tested for their cytotoxicity, but lacked significant activity. PMID:27319146

  8. A standardised method for measuring in situ denitrification in shallow aquifers: numerical validation and measurements in riparian wetlands

    OpenAIRE

    Sánchez-Pérez, J. M.; C. Bouey; Sauvage, S.; Teissier, S.; Antiguedad, I.; Vervier, P.

    2003-01-01

    A tracer test to examine in situ denitrification in shallow groundwater by a piezometer with a packer system used bromide as a tracer of dilution and acetylene (10%) to block the denitrification process at the nitrous oxide stage. During the test, dissolved oxygen, nitrate (NO3‾), bromide (Br‾), nitrous oxide (N2O) and dissolved organic carbon (DOC) were measured. To calibrate the experimental method, comparison with numerical simula...

  9. A standardised method for measuring in situ denitrification in shallow aquifers: numerical validation and measurements in riparian wetlands

    OpenAIRE

    Sánchez-Pérez, J. M.; C. Bouey; Sauvage, S.; Teissier, S.; Antiguedad, I.; Vervier, P.

    2003-01-01

    A tracer test to examine in situ denitrification in shallow groundwater by a piezometer with a packer system used bromide as a tracer of dilution and acetylene (10%) to block the denitrification process at the nitrous oxide stage. During the test, dissolved oxygen, nitrate (NO3‾), bromide (Br‾), nitrous oxide (N2O) and dissolved organic carbon (DOC) were measured. To calibrate the experimental method, comparison with numerical simulations of the groundwater transfer were carried o...

  10. Quantitative Recognizing Dissolved Hydrocarbons with Genetic Algorithm-Support Vector Regression

    OpenAIRE

    Qu Zhou; Weigen Chen; Xiaoping Su; Shudi Peng

    2013-01-01

    Online monitoring of dissolved fault characteristic hydrocarbon gases, such as methane, ethane, ethylene and acetylene in power transformer oil has significant meaning for condition assessment of transformer. Recently, semiconductor tin oxide based gas sensor array has been widely applied in online monitoring apparatus, while cross sensitivity of the gas sensor array is inevitable due to same compositions and similar structures among the four hydrocarbon gases. Based on support vector regress...

  11. Nitrification at Low pH by Aggregated Chemolithotrophic Bacteria

    OpenAIRE

    De Boer, W.; Klein Gunnewiek, P.J.A.; Veenhuis, M; Bock, E; Laanbroek, H. J.

    1991-01-01

    A study was performed to gain insight into the mechanism of acid-tolerant, chemolithotrophic nitrification. Microorganisms that nitrified at pH 4 were enriched from two Dutch acid soils. Nitrate production in the enrichment cultures was indicated to be of a chemolithoautotrophic nature as it was (i) completely inhibited by acetylene at a concentration as low as 1-mu-mol/liter and (ii) strongly retarded under conditions of carbon dioxide limitation. Electron microscopy of the enrichment cultur...

  12. Microstructure of Ni-Based Self-Fluxing Alloy Coating (PartⅠ)

    Institute of Scientific and Technical Information of China (English)

    WANG Jin-hua; Milan Friesel; Magnus Willander; Richard Warren

    2005-01-01

    The microstructure of a Ni-based self-fluxing alloy coating produced by an oxygen-acetylene flame spraying Ni-16.5Cr-3.3B-4.7Si-4. 4Fe-0. 8C system alloy powder onto a common steel substrate was investigated by microanalysis methods. The phases in the coating were observed by SEM and determined by XEDS X-Ray energy spectrum and X-Ray diffraction patterns. Meanwhile, some molecular formulas were calculated.

  13. Theoretical description of electronically excited vinylidene up to 10 eV: First high level ab initio study of singlet valence and Rydberg states

    Energy Technology Data Exchange (ETDEWEB)

    Boyé-Péronne, Séverine; Gauyacq, Dolores [Institut des Sciences Moléculaires d’Orsay, UMR 8214, CNRS and Université Paris-Sud, Bât. 210, F-91405 Orsay Cedex (France); Liévin, Jacques, E-mail: jlievin@ulb.ac.be [Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles, Cpi 160/09, 50 Av. F.D. Roosevelt, B-1050 Bruxelles (Belgium)

    2014-11-07

    The first quantitative description of the Rydberg and valence singlet electronic states of vinylidene lying in the 0–10 eV region is performed by using large scale ab initio calculations. A deep analysis of Rydberg-valence interactions has been achieved thanks to the comprehensive information contained in the accurate Multi-Reference Configuration Interaction wavefunctions and an original population analysis highlighting the respective role played by orbital and state mixing in such interactions. The present theoretical approach is thus adequate for dealing with larger than diatomic Rydberg systems. The nine lowest singlet valence states have been optimized. Among them, some are involved in strong Rydberg-valence interactions in the region of the Rydberg state equilibrium geometry. The Rydberg states of vinylidene present a great similarity with the acetylene isomer, concerning their quantum defects and Rydberg molecular orbital character. As in acetylene, strong s-d mixing is revealed in the n = 3 s-d supercomplex. Nevertheless, unlike in acetylene, the close-energy of the two vinylidene ionic cores {sup 2}A{sub 1} and {sup 2}B{sub 1} results into two overlapped Rydberg series. These Rydberg series exhibit local perturbations when an accidental degeneracy occurs between them and results in avoided crossings. In addition, some Δl = 1 (s-p and p-d) mixings arise for some Rydberg states and are rationalized in term of electrostatic interaction from the electric dipole moment of the ionic core. The strongest dipole moment of the {sup 2}B{sub 1} cationic state also stabilizes the lowest members of the n = 3 Rydberg series converging to this excited state, as compared to the adjacent series converging toward the {sup 2}A{sub 1} ionic ground state. The overall energies of vinylidene Rydberg states lie above their acetylene counterpart. Finally, predictions for optical transitions in singlet vinylidene are suggested for further experimental spectroscopic

  14. A poly(p-phenylene ethynylene vinylene) with pendant fullerenes

    OpenAIRE

    Marcos Ramos, A.; Rispens, M.T; Hummelen, J.C.; Janssen, R. A. J.

    2001-01-01

    In order to obtain a predefined nanoscopic phase segregation of semiconducting polymers and fullerenes for application in photovoltaic devices we have prepared a conjugated polymer with dangling fullerenes. For this purpose an oligo(p-phenylene vinylene) with acetylene end groups has been polymerized with a diiodo-aryl-fullerene derivative via a Pd-catalyzed coupling reaction. Photoinduced absorption (PIA) and photoluminescence spectra give evidence of a photoinduced electron transfer in this...

  15. Initiation and sustaining mechanisms of stabilized Oblique Detonation Waves around projectiles

    OpenAIRE

    Maeda, shinichi; Sumiya, Satoshi; Kasahara, Jiro; Matsuo, Akiko

    2013-01-01

    Direct initiations and stabilizations of three-dimensional conical detonation waves were attained by launching spheres with 1.06–1.31 times the C–J velocities into detonable mixtures. We conducted high time-resolution Schlieren visualizations of the whole processes over unsteady initiations to stable propagations of the stabilized Oblique Detonation Waves (ODWs) using a high-speed camera. The detonable mixtures were stoichiometric oxygen mixtures with acetylene, ethylene or hydrogen. They wer...

  16. Highly Ordered Carbon Nanotube Arrays with Open Ends Grown in Anodic Alumina Nanoholes

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Highly ordered multiwalled carbon nanotube arrays were fabricated by pyrolysis of acetylene within anodic alumina templates.Nanotubes are very uniform in diameter and open at both ends. High resolution transmission electron microscopy and electron diffraction analysis show that the carbon nanotubes are well graphitized. These standing and open carbon nanotubes are possible to offer a potential elegant technique for electron emitting devices,chemical functionalization and nanotube composites.

  17. Potential Use Of Carbide Lime Waste As An Alternative Material To Conventional Hydrated Lime Of Cement-Lime Mortars

    OpenAIRE

    Al Khaja, Waheeb A.

    1992-01-01

    The present study aimed at the possibility of using the carbide lime waste as an alternative material to the conventional lime used for cement-lime mortar. The waste is a by-product obtained in the generation of acetylene from calcium carbide. Physical and chemical properties of the wastes were studied. Two cement-lime-sand mix proportions containing carbide lime waste were compared with the same mix proportions containing conventional lime along with a control mix without lime. Specimens wer...

  18. New Petrochemical Processes Based on Direct Conversion of Methane

    OpenAIRE

    Faraguna F.; Jukić A.

    2015-01-01

    Petrochemistry is a branch of chemistry and chemical engineering that studies reactions and processes of the transformation of petroleum derivatives and natural gas into useful petrochemicals. In its beginning, petrochemistry, or rather the organic chemical industry, was based on the acetylene and Reppe chemistry. The main raw materials of the petrochemical industry nowadays are olefins and aromatic hydrocarbons, with a pronounced tendency toward development of new processes and higher usage ...

  19. Ni-Al and NiO-Al Composite Coatings by Combustion-Assisted Flame Spraying

    OpenAIRE

    Galina Xanthopoulou; Amalia Marinou; George Vekinis; Aggeliki Lekatou; Michalis Vardavoulias

    2014-01-01

    A new, cost-efficient and on-site-applicable thermal spraying process for depositing NiAl metallic overlay or bond-coat coatings for high temperature applications by synthesizing the desired intermetallic phases in-flight during oxy-acetylene flame spraying is presented. Base-metal powders were used for spraying and, by adjusting the spraying conditions, excellent NiAl-based coatings were achieved on various substrates, including mild steel, stainless steel and aluminium alloys. Expensive, pr...

  20. Diversity and function from the ground up : microbial mediation of wetland plant structure and ecosystem function via nitrogen fixation

    OpenAIRE

    Moseman, Serena M

    2008-01-01

    Plant-dependent functions of coastal wetlands are strongly influenced by nitrogen availability. Diazotrophs, microbes that fix nitrogen, in surface sediments and rhizospheres (roots and surrounding sediments) of plants may fundamentally affect wetland ecosystems. In testing roles of nitrogen fixing microbes in niche differentiation between two key plants, Spartina foliosa and Salicornia virginica, a mensurative experiment reveals plant-specific diel patterns of nitrogen fixation (acetylene re...

  1. Polysaccharides: The “Click” Chemistry Impact

    OpenAIRE

    Romain Lucas; Daniel Montplaisir; Rachida Zerrouki; Pierre-Antoine Faugeras; François Brouillette; Benjamin Boëns; Pierre-Henri Elchinger

    2011-01-01

    Polysaccharides are complex but essential compounds utilized in many areas such as biomaterials, drug delivery, cosmetics, food chemistry or renewable energy. Modifications and functionalizations of such polymers are often necessary to achieve molecular structures of interest. In this area, the emergence of the “click” chemistry concept, and particularly the copper-catalyzed version of the Huisgen 1,3-dipolar cycloaddition reaction between terminal acetylenes and azides, had an impact on the ...

  2. Non-equilibrium Plasma Dehydrogenation Coupling of Methane

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A few factors effecting the reaction of plasma dehydrocoupling of methane have been investigated. The experiment shows that plasma power load, i.e. the ratio of methane flow to plasma power, is the most important factor effecting methane dehydrocoupling. The products of the reaction are mainly acetylene, ethylene, ethane and unreacted methane etc. If oxygen with a suitable molar ratio is introduced into plasma region at a reasonable position, the selectivity of C2 hydrocarbons can be increased greatly.

  3. Fast Energy Transfer and Molecular Dynamics in the Electronic Ground State Of C{sub 2}H{sub 2} and H{sub 2}CO Viewed By Time Resolved FS-CARS

    Energy Technology Data Exchange (ETDEWEB)

    Knopp, G.; Beaud, P.; Radi, P.; Tulej, M.; Gerber, T.

    2004-03-01

    The molecular dynamics in the electronic ground state of C{sub 2}H{sub 2} and of H{sub 2}CO have been interrogated by the femto second CARS method. For a discussion of collision induced rotational and vibrational energy transfer in the electronic ground state of the polyatomic acetylene (C{sub 2H}2) molecule the transient signals were evaluated with the recently developed angular momentum and energy corrected scaling law. (author)

  4. Abundances of Jupiter's Trace Hydrocarbons From Voyager and Cassini

    OpenAIRE

    Nixon, Conor A.; Achterberg, Richard K.; Romani, Paul. N.; Allen, Mark; Zhang, Xi; Teanby, Nicholas A.; Irwin, Patrick G. J.; Flasar, F. Michael

    2010-01-01

    The flybys of Jupiter by the Voyager spacecraft in 1979, and over two decades later by Cassini in 2000, have provided us with unique datasets from two different epochs, allowing the investigation of seasonal change in the atmosphere. In this paper we model zonal averages of thermal infrared spectra from the two instruments, Voyager 1 IRIS and Cassini CIRS, to retrieve the vertical and meridional profiles of temperature, and the abundances of the two minor hydrocarbons, acetylene (C_2H_2) and ...

  5. Interaction of Azospirillum brasilense and Glomus intrarradix in Sugar Cane Roots

    OpenAIRE

    Bellone, Carlos H.; de Bellone Silvia, Carrizo

    2011-01-01

    Fifteen-day-old variety NA 56-79 sugar cane seedlings were inoculated with Azospirillum brasilense and Glomus intrarradix. This article aims at examining changes in sugar cane root seedlings inoculated with Glomus intrarradix and Azospirillum brasilense, the increase in microbial biomass and the acetylene reduction process as well. The internal root colonization was studied 20 days after inoculation using scanning and a transmission electron microscope. Both microorganisms entered the sugar c...

  6. Glyoxal observations in the global marine boundary layer

    OpenAIRE

    Mahajan, Anoop S.; Prados-Roman, Cristina; Hay, Timothy D.; Lampel, Johannes; Pöhler, Denis; Groβmann, Katja; Tschritter, Jens; Frieß, Udo; Platt, Ulrich; Johnston, Paul; Kreher, Karin; Wittrock, Folkard; Burrows, John P; Plane, John M. C.; Saiz-Lopez, Alfonso

    2014-01-01

    Glyoxal is an important intermediate species formed by the oxidation of common biogenic and anthropogenic volatile organic compounds such as isoprene, toluene and acetylene. Although glyoxal has been shown to play an important role in urban and forested environments, its role in the open ocean environment is still not well understood, with only a few observations showing evidence for its presence in the open ocean marine boundary layer (MBL). In this study, we report observations of glyoxal f...

  7. Visible absorptions of potential diffuse ISM hydrocarbons: C$_9$H$_9$ and C$_9$H$_5$ radicals

    CERN Document Server

    Steglich, Mathias; Maier, John P

    2016-01-01

    The laboratory detection of previously unobserved resonance-stabilized C$_9$H$_5$ and C$_9$H$_9$ radicals in the supersonic expansion of a hydrocarbon discharge source is reported. The radicals are tentatively assigned as acetylenic-substituted cyclopentadienyl C$_9$H$_5$ and vinyl-substituted benzyl C$_9$H$_9$ species. They are found to feature visible absorption bands that coincide with a few very weak diffuse interstellar bands toward HD183143 and HD204827.

  8. Synthesis of dehydrobenzoannulenes with pyrene core

    Indian Academy of Sciences (India)

    Antony Joseph; Gandikota Venkataramana; Sethuraman Sankararaman

    2012-05-01

    Synthesis of dehydrobenzoannulenes (DBAs) with pyrene core from 1,8-diethynylpyrene and 1,3,6,8-tetraethynylpyrene as building blocks is reported. A sequence involving Sonogashira coupling, Corey- Fuchs reaction and oxidative coupling (Eglinton coupling) is used for the synthesis of pyrene-based dehydrobenzoannulenes. Due to the presence of pyrenechromophore these DBAs and their precursors are highly fluorescent and emit in the visible region, due to extended conjugation of the acetylenic units with the pyrene core.

  9. New methods for quality-testing of calcium carbide; Pruefung von Calciumcarbid. Vereinfachte Bestimmungsmethoden

    Energy Technology Data Exchange (ETDEWEB)

    Koehn, J. [Bundesanstalt fuer Materialpruefung, Berlin (Germany). Abt. 4 ' Chemische Sicherheitstechnik'

    2002-07-01

    The Federal Institute for Materials Research and Testing (BAM) is appointed for quality-testing of calcium carbide in accordance with the DIN 53 992 standard. The methods for defining the yields of acetylene and phosphine described in this standard approximately exist since 50 years. BAM developed more suitable methods for this purpose in the meantime which are designed to be introduced in the next revision of this standard. (orig.)

  10. Carbon Dioxide in Exoplanetary Atmospheres: Rarely Dominant Compared to Carbon Monoxide and Water in Hot, Hydrogen-dominated Atmospheres

    OpenAIRE

    Heng, Kevin; Lyons, James R.

    2015-01-01

    We present a comprehensive study of the abundance of carbon dioxide in exoplanetary atmospheres in hot, hydrogen-dominated atmospheres. We construct novel analytical models of systems in chemical equilibrium that include carbon monoxide, carbon dioxide, water, methane and acetylene and relate the equilibrium constants of the chemical reactions to temperature and pressure via the tabulated Gibbs free energies. We prove that such chemical systems may be described by a quintic equation for the m...

  11. A laboratory investigation of the production and properties of molecular and radical species pertinent to planetary atmospheres

    Science.gov (United States)

    Fahr, Askar; Herron, John; Laufer, Allan H.

    1990-01-01

    Vinylidene (H2C=C) is shown to be the largest photodecomposition channel in the direct photolysis of both C2H2 and C2H4. The chemistry of H2C=C as it relates to planetary atmospheres is discussed. The vinyl radical (C2H3), important in the acetylene chemistry cycle, has been directly observed spectroscopically and the kinetics of several key reactions of this species measured.

  12. Effect of source gas chemistry on tribological performance of diamond-like carbon films.

    Energy Technology Data Exchange (ETDEWEB)

    Erdemir, A.; Eryilmaz, O. L.; Fenske, G. R.; Nilufer, I. B.

    1999-08-23

    In this study, we investigated the effects of various source gases (i. e., methane, ethane, ethylene, acetylene and methane + hydrogen) on friction and wear performance of diamond-like carbon (DLC) films. Specifically, we described the anomalous nature and fundamental friction and wear mechanisms of DLC films derived from gas discharge plasmas with very low to very high hydrogen content. The films were deposited on steel substrates by a plasma enhanced chemical vapor deposition process at room temperature and the tribological tests were performed in dry nitrogen. The results of tribological tests revealed a close correlation between the friction and wear coefficients of the DLC films and the source gas chemistry. Specifically, films grown in source gases with higher hydrogen-to-carbon ratios had much lower friction coefficients and wear rates than the films derived from source gases with lower hydrogen-to-carbon ratios. The lowest friction coefficient (0.002) was achieved with a film derived from 25% methane--75% hydrogen while the films derived from acetylene had a coefficient of 0.15. Similar correlations were observed on wear rates. Specifically, the films derived from hydrogen rich plasmas had the least wear while the films derived from pure acetylene suffered the highest wear. We used a combination of scanning and transmission electron microscopy and Raman spectroscopy to characterize the structural chemistry of the resultant DLC films.

  13. Optimization, Yield Studies and Morphology of WO3Nano-Wires Synthesized by Laser Pyrolysis in C2H2and O2Ambients—Validation of a New Growth Mechanism

    Directory of Open Access Journals (Sweden)

    Sideras-Haddad E

    2008-01-01

    Full Text Available Abstract Laser pyrolysis has been used to synthesize WO3nanostructures. Spherical nano-particles were obtained when acetylene was used to carry the precursor droplet, whereas thin films were obtained at high flow-rates of oxygen carrier gas. In both environments WO3nano-wires appear only after thermal annealing of the as-deposited powders and films. Samples produced under oxygen carrier gas in the laser pyrolysis system gave a higher yield of WO3nano-wires after annealing than the samples which were run under acetylene carrier gas. Alongside the targeted nano-wires, the acetylene-ran samples showed trace amounts of multi-walled carbon nano-tubes; such carbon nano-tubes are not seen in the oxygen-processed WO3nano-wires. The solid–vapour–solid (SVS mechanism [B. Mwakikunga et al., J. Nanosci. Nanotechnol., 2008] was found to be the possible mechanism that explains the manner of growth of the nano-wires. This model, based on the theory from basic statistical mechanics has herein been validated by length-diameter data for the produced WO3nano-wires.

  14. Structure of MoCN films deposited by cathodic arc evaporation

    International Nuclear Information System (INIS)

    Molybdenum carbonitride (MoCN) coatings were deposited onto HS6-5-2 steel substrate using pure Mo targets in mixed acetylene and nitrogen atmosphere by cathodic arc evaporation. The structural properties of MoCN coatings with different carbon contents (as an effect of the C2H2 flow rate) were investigated systematically. Phase and chemical composition evolution of the coatings were characterized both by the glancing angle of X-ray diffraction (XRD) and wavelength dispersive spectrometry, respectively. These analyses have been supplemented by estimates of grain sizes and stress in the coatings. The XRD results show that the increase in acetylene flow rate causes the formation of molybdenum carbide (MoC) hexagonal phase in the coatings, a reduction of grain size and an increase in internal stress. - Highlights: • MoN and MoCN coatings were deposited by cathodic arc evaporation in nitrogen atmosphere. • MoCN coatings were formed using different acetylene flow rates. • Phase composition evolution was observed. • Crystallite size and stress were calculated

  15. Pyrolysis of natural gas in the gliding electric discharges

    Energy Technology Data Exchange (ETDEWEB)

    Czernichowski, A. [Orleans Univ., (France); Czernichowski, P. [Centre de Recherche sur la Matiere Divisee, Orleans (France)]|[Synergy Technologies Corp., Calgary, AB (Canada)

    2000-05-01

    GlidArc-assisted pyrolysis of natural gas has been previously studied as a way to obtain hydrogen, acetylene and dry soot. This study examined the use of the GlidARc-assisted pyrolysis of natural gas for low-emission-vehicles. It was shown that electrical energy can be directly used to produce a very reactive medium allowing an efficient pyrolysis of natural gas to hydrogen and acetylene with limited production of soot. A non-equilibrium cold-plasma process is performed in the GlidArc reactor as demonstrated by the presence of relatively high concentration of acetylene and olefins. In this study, relatively high concentrations of hydrogen appeared in the output gas at very low energy requirements. This finding will encourage more systematic studies of the process in order to obtain better results. It was concluded that inexpensive and powerful gliding electric discharges are capable of significantly improving hydrogen and C{sub 2}H{sub 2} production such as when limited quantities of these gases are needed in any type of engine. The advantages of the system is that it requires no cooling, does not promote corrosion and is a simple power supply. 6 refs., 4 tabs., 3 figs.

  16. Growth and N2 fixation in an Alnus hirsuta (Turcz.) var. sibirica stand in Japan

    Indian Academy of Sciences (India)

    Hiroyuki Tobita; Shigeaki F Hasegawa; Kenichi Yazaki; Masabumi Komatsu; Mitsutoshi Kitao

    2013-11-01

    To estimate the N2 fixation ability of the alder (Alnus hirsuta (Turcz.) var. sibirica), we examined the seasonal variation in nitrogenase activity of nodules using the acetylene reduction method in an 18-year-old stand naturally regenerated after disturbance by road construction in Japan. To evaluate the contribution of N2 fixation to the nitrogen (N) economy in this alder stand, we also measured the phenology of the alder, the litterfall, the decomposition rate of the leaf litter, and N accumulation in the soil. The acetylene reduction activity per unit nodule mass (ARA) under field conditions appeared after bud break, peaked the maximum in midsummer after full expansion of the leaves, and disappeared after all leaves had fallen. There was no consistent correlation between ARA and tree size (dbh). The amount of N2 fixed in this alder stand was estimated at 56.4 kg ha−1 year−1 when a theoretical molar ratio of 3 was used to convert the amount of reduced acetylene to the amount of fixed N2. This amount of N2 fixation corresponded to the 66.4% of N in the leaf litter produced in a year. These results suggested that N2 fixation still contributed to the large portion of N economy in this alder stand.

  17. Novel technique for coal pyrolysis and hydrogenation product analysis

    Energy Technology Data Exchange (ETDEWEB)

    Pfefferle, L.D.

    1992-01-01

    This report covers the last quarter of the last year of the three-year grant period. In the final project year, we concentrated on the pyrolysis and oxidative pyrolysis of large hydrocarbons and mixtures of large and small hydrocarbons in order to develop the VUV-MS technique for compounds more representative of those in coal pyrolysis applications. Special focus was directed at the pyrolysis and oxidative pyrolysis of benzene and benzene acetylene mixtures. The acetylene/benzene mixtures were used to gain a better understanding of the mechanisms of molecular growth in such systems specifically to look at the kinetics of aryl-aryl reactions as opposed to small molecule addition to phenyl radicals. Sarofim and coworkers at MIT have recently demonstrated the importance of these reactions in coal processing environments. In the past, the growth mechanism for the formation of midsized PAH has been postulated to involve primarily successive acetylene additions to phenyl-type radicals, our work confmns this as an important mechanism especially for smaller PAH but also investigates conditions where biaryl formation can play an important role in higher hydrocarbon formation.

  18. Novel technique for coal pyrolysis and hydrogenation product analysis. Quarterly report, June 1, 1992

    Energy Technology Data Exchange (ETDEWEB)

    Pfefferle, L.D.

    1992-12-31

    This report covers the last quarter of the last year of the three-year grant period. In the final project year, we concentrated on the pyrolysis and oxidative pyrolysis of large hydrocarbons and mixtures of large and small hydrocarbons in order to develop the VUV-MS technique for compounds more representative of those in coal pyrolysis applications. Special focus was directed at the pyrolysis and oxidative pyrolysis of benzene and benzene acetylene mixtures. The acetylene/benzene mixtures were used to gain a better understanding of the mechanisms of molecular growth in such systems specifically to look at the kinetics of aryl-aryl reactions as opposed to small molecule addition to phenyl radicals. Sarofim and coworkers at MIT have recently demonstrated the importance of these reactions in coal processing environments. In the past, the growth mechanism for the formation of midsized PAH has been postulated to involve primarily successive acetylene additions to phenyl-type radicals, our work confmns this as an important mechanism especially for smaller PAH but also investigates conditions where biaryl formation can play an important role in higher hydrocarbon formation.

  19. Denitrification and Nitrate Reduction to Ammonium in Taihu Lake and Yellow sea Inter—Tidal Marine Sediments

    Institute of Scientific and Technical Information of China (English)

    YINSHIXUE; SHENQIRONG; 等

    1999-01-01

    Denitrification and nitrate reduction to ammonium in Taihu Lake and Yellow Sea inter-tidal marine sediments were studied.The sediment samples were made slurry containing 150g dry matter per liter.Various of glucose-C to nitrate-N.Acetylene inhibition technique was applied to measure denitrification in the slurres,All samples were incubated anaerobically under argon atmosphere,Data showed that Taihu Lake sediment produced more N2O than marine sediment,Denitrification potential was higher in Taihu Lake sediment than in marine one,Glucose added increase denitrification activity but not the denitrification potential of the sediments.Dissimilatory nitrate reduction to ammonium seemed to occur in marine sediment,but not in freshwater one.When the marine sediment was treated with 25mmol L-1 glucose,its denitrification potentail,as indicated by maximum N2O production by acetylene blockage,was lower than that treated with no or 2.5mmol L-1 glucose.Acetylene was suspected to have inhibitory effect on dissimilatory nitrate reduction to ammonium.

  20. Metal-ligand synergistic effects in the complex Ni(η(2)-TEMPO)2: synthesis, structures, and reactivity.

    Science.gov (United States)

    Isrow, Derek; DeYonker, Nathan J; Koppaka, Anjaneyulu; Pellechia, Perry J; Webster, Charles Edwin; Captain, Burjor

    2013-12-16

    In the current investigation, reactions of the "bow-tie" Ni(η(2)-TEMPO)2 complex with an assortment of donor ligands have been characterized experimentally and computationally. While the Ni(η(2)-TEMPO)2 complex has trans-disposed TEMPO ligands, proton transfer from the C-H bond of alkyne substrates (phenylacetylene, acetylene, trimethylsilyl acetylene, and 1,4-diethynylbenzene) produce cis-disposed ligands of the form Ni(η(2)-TEMPO)(κ(1)-TEMPOH)(κ(1)-R). In the case of 1,4-diethynylbenzene, a two-stage reaction occurs. The initial product Ni(η(2)-TEMPO)(κ(1)-TEMPOH)[κ(1)-CC(C6H4)CCH] is formed first but can react further with another equivalent of Ni(η(2)-TEMPO)2 to form the bridged complex Ni(η(2)-TEMPO)(κ(1)-TEMPOH)[κ(1)-κ(1)-CC(C6H4)CC]Ni(η(2)-TEMPO)(κ(1)-TEMPOH). The corresponding reaction with acetylene, which could conceivably also yield a bridging complex, does not occur. Via density functional theory (DFT), addition mechanisms are proposed in order to rationalize thermodynamic and kinetic selectivity. Computations have also been used to probe the relative thermodynamic stabilities of the cis and trans addition products and are in accord with experimental results. Based upon the computational results and the geometry of the experimentally observed product, a trans-cis isomerization must occur. PMID:24262003

  1. Phase- and intensity-dependence of ultrafast dynamics in hydrocarbon molecules in few-cycle laser fields

    CERN Document Server

    Kübel, Matthias; Siemering, Robert; Kling, Nora G; Bergues, Boris; Alnaser, Ali S; Ben-Itzhak, Itzik; Moshammer, Robert; de Vivie-Riedle, Regina; Kling, Matthias F

    2016-01-01

    In strong laser fields, sub-femtosecond control of chemical reactions with the carrier-envelope phase (CEP) becomes feasible. We have studied the control of reaction dynamics of acetylene and allene in intense few-cycle laser pulses at 750 nm, where ionic fragments are recorded with a reaction microscope. We find that by varying the CEP and intensity of the laser pulses it is possible to steer the motion of protons in the molecular dications, enabling control over deprotonation and isomerization reactions. The experimental results are compared to predictions from a quantum dynamical model, where the control is based on the manipulation of the phases of a vibrational wave packet by the laser waveform. The measured intensity dependence in the CEP-controlled deprotonation of acetylene is well captured by the model. In the case of the isomerization of acetylene, however, we find differences in the intensity dependence between experiment and theory. For the isomerization of allene, an inversion of the CEP-dependen...

  2. The genes encoding the delta subunits of dinitrogenases 2 and 3 are required for mo-independent diazotrophic growth by Azotobacter vinelandii.

    Science.gov (United States)

    Waugh, S I; Paulsen, D M; Mylona, P V; Maynard, R H; Premakumar, R; Bishop, P E

    1995-03-01

    vnfG and anfG encode the delta subunits of alternative nitrogenases 2 and 3 in Azotobacter vinelandii, respectively. As a first step towards elucidating the role of these subunits, diazotrophic growth and acetylene reduction studies were conducted on mutants containing alterations in the genes encoding these subunits. Mutants containing a stop codon (C36stop) or an in-frame deletion in anfG were unable to grow in N-free, Mo-deficient medium (Anf-). Mutants in which cysteine 36 of AnfG (a residue conserved between VnfG and AnfG) was changed to Ala or Ser were Anf+. Thus, this conserved cysteine is not essential for the function of AnfG in dinitrogenase 3. A mutant with a stop codon in vnfG (C17stop) grew after a lag of 25 h in N-free, Mo-deficient medium containing V2O5. However, a Nif- Anf- strain with this mutation was unable to grow under these conditions. This shows that the vnfG gene product is required for nitrogenase 2-dependent growth. Strains with mutations in vnfG and anfG reduced acetylene to different degrees. This indicates that the delta subunits are not required for acetylene reduction by nitrogenases 2 and 3. PMID:7883707

  3. Requirement of homocitrate for the transfer of a 49V-labeled precursor of the iron-vanadium cofactor from VnfX to nif-apodinitrogenase.

    Science.gov (United States)

    Ruttimann-Johnson, C; Rangaraj, P; Shah, V K; Ludden, P W

    2001-02-01

    A vanadium- and iron-containing cluster has been shown previously to accumulate on VnfX in the Azotobacter vinelandii mutant strain CA11.1 (DeltanifHDKvnfDGK::spc). In the present study, we show the homocitrate-dependent transfer of (49)V label from VnfX to nif-apodinitrogenase in vitro. This transfer of radiolabel correlates with acquisition of acetylene reduction activity. Acetylene is reduced both to ethylene and ethane by the hybrid holodinitrogenase so formed, a feature characteristic of alternative nitrogenases. Structural analogues of homocitrate prevent the acetylene reduction ability of the resulting dinitrogenase. Addition of NifB cofactor (-co) or a source of vanadium (Na(3)VO(4) or VCl(3)) does not increase nitrogenase activity. Our results suggest that there is in vitro incorporation of homocitrate into the V-Fe-S cluster associated with VnfX and that the completed cluster can be inserted into nif-apodinitrogenase. The homocitrate incorporation reaction and the insertion of the cluster into nif-apodinitrogenase (alpha(2)beta(2)gamma(2)) do not require MgATP. Attempts to achieve FeV-co synthesis using extracts of other FeV-co-negative mutants were unsuccessful, showing that earlier steps in FeV-co synthesis, such as the steps requiring VnfNE or VnfH, do not occur in vitro. PMID:11053414

  4. Structure of MoCN films deposited by cathodic arc evaporation

    Energy Technology Data Exchange (ETDEWEB)

    Gilewicz, A., E-mail: adam.gilewicz@tu.koszalin.pl [Koszalin University of Technology, Faculty of Technology and Education, Sniadeckich 2, 75-453 Koszalin (Poland); Jedrzejewski, R.; Kochmanska, A.E. [West Pomeranian University of Technology Szczecin, Faculty of Mechanical Engineering and Mechatronics, 19 Piastów Ave., 70-313 Szczecin (Poland); Warcholinski, B. [Koszalin University of Technology, Faculty of Technology and Education, Sniadeckich 2, 75-453 Koszalin (Poland)

    2015-02-27

    Molybdenum carbonitride (MoCN) coatings were deposited onto HS6-5-2 steel substrate using pure Mo targets in mixed acetylene and nitrogen atmosphere by cathodic arc evaporation. The structural properties of MoCN coatings with different carbon contents (as an effect of the C{sub 2}H{sub 2} flow rate) were investigated systematically. Phase and chemical composition evolution of the coatings were characterized both by the glancing angle of X-ray diffraction (XRD) and wavelength dispersive spectrometry, respectively. These analyses have been supplemented by estimates of grain sizes and stress in the coatings. The XRD results show that the increase in acetylene flow rate causes the formation of molybdenum carbide (MoC) hexagonal phase in the coatings, a reduction of grain size and an increase in internal stress. - Highlights: • MoN and MoCN coatings were deposited by cathodic arc evaporation in nitrogen atmosphere. • MoCN coatings were formed using different acetylene flow rates. • Phase composition evolution was observed. • Crystallite size and stress were calculated.

  5. Study about optical fiber gas sensor and spectral characters%光纤气体传感与谱特性研究

    Institute of Scientific and Technical Information of China (English)

    王俊锋; 贾振安; 周红; 王培培; 白亮

    2012-01-01

    吸收型气体传感器的结构决定气体传感器的灵敏度和吸收效果.根据C2H2气体的光谱吸收特性,设计了一种简易的测试C2H2气体吸收强度的传感器结构.基于Gaussian03软件计算C2H2气体分子的振动强度,从分子能级角度阐述了吸收型气体传感器在近红外光区选择性光谱吸收的特点.同时通过实验加以验证,对比了理论计算与实验结论.%Structure of absorption-type gas sensor determines the sensitivity, as well as the effect of absorption. According to the characters of spectral absorption about acetylene, a simple testing sensor structure is designed for absorption intensity of acetylene. Based on Gaussian03, vibration intensityof acetylene molecule is calculated. From molecular level, we explain the characters of spectral selective absorption near infrared region. Meanwhile, it is to verify the conclusion through experiment, compare with theoretical calculation and experimental conclusion.

  6. Progress In The Commercialization Of A Carbonaceous Solar Selective Absorber On A Glass Substrate

    Science.gov (United States)

    Garrison, John D.; Haiad, J. Carlos; Averett, Anthony J.

    1987-11-01

    A carbonaceous solar selective absorber is formed on a glass substrate by coating the glass with a silver infrared reflecting layer, electroplating a thin nickel catalyst coating on the silver using very special plating conditions, and then exposing the nickel coated, silvered glass substrate to acetylene at a temperature of about 400 - 500°C for about five minutes. A fairly large plater and conveyor oven have been constructed and operated for the formation of these solar selective absorbers in order to study the formation of this absorber by a process which might be used commercially. Samples of this selective absorber on a glass substrate have been formed using the plater and conveyor oven. The samples, which have the best optical properties, have an absorptance of about 0.9 and an emittance of about 0.03. Excessive decomposition of the acetylene by the walls of the oven at higher temperatures with certain wall materials and oven geometries can prevent the formation of good selective absorbers. Procedures for preventing excessive decomposition of the acetylene and the knowledge gained so far by these studies is discussed.

  7. Nitrogen fixation associated with development and localization of mixed populations of Cellulomonas species and Azospirillium brasilense grown on cellulose or wheat straw

    Energy Technology Data Exchange (ETDEWEB)

    Halsall, D.M.; Goodchild, D.J.

    1986-04-01

    Mixed cultures of Cellulomonas sp. and Azospirillum brasilense were grown with straw or cellulose as the carbon source under conditions favoring the fixation of atmospheric nitrogen. Rapid increases in cell numbers, up to 10/sup 9/ cells per g of substrate, were evident after 4 and 5 days of incubation at 30 degrees C for cellulose and straw, respectively. Nitrogen fixation (detected by acetylene reduction measured on parallel cultures) commenced after 2 and 4 days of incubation for straw and cellulose, respectively, and continued for the duration of the experiment. Pure cultures of Cellulomonas sp. showed an increase in cell numbers, but CO/sub 2/ production was low, and acetylene reduction was not detected on either cellulose or straw. Pure cultures of A. brasilense on cellulose showed an inital increase in cell numbers (10/sup 7/ cells per g of substrate) over 4 days, followed by a decline presumably caused by the exhaustion of available carbon substrate. On straw, A. brasilense increased to 10/sup 9/ cells per g of substrate over 5 days and then declined slowly; this growth was accompanied by acetylene reduction. Scanning electron micrographs of straw incubated with a mixture under the above conditions for 8 days showed cells of both species in close proximity to each other. Evidence was furnished that the close spatial relatioship of cells from the two species facilitated the mutally beneficial association between them and thus increased the efficiency with which the products of straw breakdown were used for nitrogen fixation. 17 references.

  8. Physico-chemical properties and toxic effect of fruit-ripening agent calcium carbide

    Directory of Open Access Journals (Sweden)

    Mohammad Asif

    2012-01-01

    Full Text Available Ripening is the final stage of the maturation process, when the fruit changes color, softens and develops the flavor, texture and aroma that constitute optimum eating quality. This study was conducted to discuss the use of unsatisfactory calcium carbide to ripen fruits for domestic markets as well as their toxic effects on human health. The commonly used ripening agents are calcium carbide, acetylene, ethylene, propylene, ethrel (2-chloroethyl phosphonic acid, glycol, ethanol and some other agents. The calcium carbide is one of the most commonly used ripening agent for fruits, while other calcium salts like calcium ammonium nitrate, calcium chloride and calcium sulfate are used to delay fruit ripening agents for local fruit industries. The use of calcium carbide is being discouraged worldwide, due to associated health hazards. Calcium carbide treatment of food is extremely hazardous because it contains traces of arsenic and phosphorous, and once dissolved in water, it produces acetylene gas. Arsenic, phosphorous and acetylene gas may affect the different body organs and causes various health problems like headache, dizziness, mood disturbances, sleepiness, mental confusion, memory loss, cerebral edema, seizures and prolonged hypoxia.

  9. Development of dual-broadband rotational CARS for combustion diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Bood, Joakim

    2000-06-01

    The present thesis concerns development and application of dual-broadband rotational coherent anti-Stokes Raman spectroscopy (DB-RCARS) for temperature and species concentration measurements in combustion processes. Both fundamental development of the technique, including experimental as well as modelling results, and measurements in practical combustion devices were conducted. A code for calculation of rotational CARS spectra of pure acetylene as well as mixtures of acetylene and nitrogen was developed. Using this code, temperatures and relative acetylene to nitrogen concentrations were evaluated from DB-RCARS measurements in pure acetylene and different acetylene/nitrogen mixtures. Moreover, rotational CARS spectra of dimethyl-ether (DME) have been analyzed. A powerful tool for simultaneous temperature and multiple species concentration measurements was developed by combining rotational CARS with vibrational CARS. The concept was demonstrated for measurements of temperature, oxygen, and carbon monoxide concentrations simultaneously in a premixed sooting ethene/air flame. Rotational CARS spectra of nitrogen at very high pressures (0.1-44 MPa) at room temperature were investigated. The experimental spectra were compared with calculated spectra using different Raman linewidth models. The results indicate some shortcomings in the present model, basically the density calculation and neglecting overlapping effects between adjacent spectral lines. A new method for CARS measurements in several spatially separated points simultaneously was developed. By using DB-RCARS the method was demonstrated for quantitative measurements of profiles of temperatures and oxygen concentrations. An atomic filter for rejection of stray light was developed. The filter was shown to efficiently reject stray light from the narrowband laser without affecting the shape of the rotational CARS spectrum or causing any signal losses. Within an interdisciplinary project intended to increase the

  10. High-sensitivity remote detection of atmospheric pollutants and greenhouse gases at low ppm levels using near-infrared tunable diode lasers

    Science.gov (United States)

    Roy, Anirban; Upadhyay, Abhishek; Chakraborty, Arup Lal

    2016-05-01

    The concentration of atmospheric pollutants and greenhouse gases needs to be precisely monitored for sustainable industrial development and to predict the climate shifts caused by global warming. Such measurements are made on a continuous basis in ecologically sensitive and urban areas in the advanced countries. Tunable diode laser spectroscopy (TDLS) is the most versatile non-destructive technology currently available for remote measurements of multiple gases with very high selectivity (low cross-sensitivity), very high sensitivity (on the order of ppm and ppb) and under hazardous conditions. We demonstrate absolute measurements of acetylene, methane and carbon dioxide using a fielddeployable fully automated TDLS system that uses calibration-free 2f wavelength modulation spectroscopy (2f WMS) techniques with sensitivities of low ppm levels. A 40 mW, 1531.52 nm distributed feedback (DFB) diode laser, a 10 mW, 1650 nm DFB laser and a 1 mW, 2004 nm vertical cavity surface emitting laser (VCSEL) are used in the experiments to probe the P9 transition of acetylene, R4 transition of methane and R16 transition of carbon dioxide respectively. Data acquisition and on-board analysis comprises a Raspberry Pi-based embedded system that is controllable over a wireless connection. Gas concentration and pressure are simultaneously extracted by fitting the experimental signals to 2f WMS signals simulated using spectroscopic parameters obtained from the HITRAN database. The lowest detected concentration is 11 ppm for acetylene, 275 ppm for methane and 285 ppm for carbon dioxide using a 28 cm long single-pass gas cell.

  11. The synthesis and evaluation of a solution phase indexed combinatorial library of non-natural polyenes for reversal of P-glycoprotein mediated multidrug resistance.

    Science.gov (United States)

    Andrus, M B; Turner, T M; Sauna, Z E; Ambudkar, S V

    2000-08-11

    A combinatorial library of polyenes, based on (-)-stipiamide, has been constructed and evaluated for the discovery of new multidrug resistance reversal agents. A palladium coupling was used to react each individual vinyl iodide with a mixture of the seven acetylenes at near 1:1 stoichiometry. The coupling was also used to react each individual acetylene with the mixture of six vinyl iodides to create 13 pools indexed in two dimensions for a total of 42 compounds. Individual compounds were detected at equimolar concentration. The vinyl iodides, made initially using a crotylborane addition to generate the anti1,2-hydroxylmethyl products, were now made using a more efficient norephedrine propionate boron enolate aldol reaction. The indexed approach, ideally suited for cellular assays that involve membrane-bound targets, allowed for the rapid identification of reversal agents using assays with drug-resistant human breast cancer MCF7-adrR cells. Intersections of potent pools identified new compounds with promising activity. Aryl dimension pools showed R = ph and naphthyl as the most potent. The acetylene dimension had R' = phenylalaninol and alaninol as the most potent. Isolated individual compounds, both active and nonpotent, were assayed to confirm the library results. The most potent new compound was 4ek (R = naphthyl, R' = phenylaninol) at 1.45 microM. Other nonnatural individual naphthyl-amide compounds showed potent MDR reversal including the morpholino-amide 4ej (1.69 microM). Synergistic activities attributed to the two ends of the molecule were also identified. Direct interaction with Pgp was established by ATPase and photoaffinity displacement assays. The results indicate that both ends of the polyene reversal agent are involved in Pgp interaction and can be further modified for increased potency. PMID:10956480

  12. Methane production induced by dimethylsulfide in surface water of an upwelling ecosystem

    Science.gov (United States)

    Florez-Leiva, Lennin; Damm, Ellen; Farías, Laura

    2013-05-01

    Coastal upwelling ecosystems are areas of high productivity and strong outgassing, where most gases, such as N2O and CH4, are produced in subsurface waters by anaerobic metabolisms. We describe seasonal CH4 variation as well as potential mechanisms producing CH4 in surface waters of the central Chile upwelling ecosystem (36°S). Surface waters were always supersaturated in CH4 (from 125% up to 550%), showing a clear seasonal signal triggered by wind driven upwelling processes (austral spring-summer period), that matched with the periods of high chlorophyll-a and dimethylsulfoniopropionate (DMSP) levels. Methane cycling experiments, with/without the addition of dimethylsulfide (including 13C-DMS) and acetylene (a nonspecific inhibitor of CH4 oxidation) along with monthly measurements of CH4, DMSP and other oceanographic variables revealed that DMS can be a CH4 precursor. Net CH4 cycling rates (control) fluctuated between -0.64 and 1.44 nmol L-1 d-1. After the addition of acetylene, CH4 cycling rates almost duplicated relative to the control, suggesting a strong methanotrophic activity. With a spike of DMS, the net CH4 cycling rate significantly increased relative to the acetylene and control treatment. Additionally, the δ13C values of CH4 at the end of the incubations (after addition of 13C enriched-DMS) were changed, reaching -32‰ PDB compared to natural values between -44‰ and -46‰ PDB. These findings indicate that, in spite of the strong CH4 consumption by methanotrophs, this upwelling area is an important source of CH4 to the atmosphere. The effluxes are derived partially from in situ surface production and seem to be related to DMSP/DMS metabolism.

  13. An investigation into the traffic-related fraction of isoprene at an urban location

    Science.gov (United States)

    Borbon, Agnès; Fontaine, Hervé; Veillerot, M.; Locoge, N.; Galloo, J. C.; Guillermo, René

    Continuous hourly measurements of isoprene and 30 other hydrocarbons were performed at an urban centre site in Lille, France, from May 1997 to April 1999. Parallel mass emissions of the same hydrocarbons from in-service passenger vehicles were determined from measurements made on a chassis dynamometer using the European MVEG driving cycle. On the one hand, descriptive statistics and principal component analysis revealed the strong traffic origin of isoprene in winter months and its double biogenic and anthropogenic origin during the summer. On the other hand, the emission measurements of individual hydrocarbons in exhaust gases confirmed the presence of isoprene in petrol fuelled (with or without catalytic converters) and diesel car exhausts. Finally, the isoprene/acetylene ratios, both of them derived from ambient concentrations and emission factors, were compared. No statistically significant difference was found in winter, indicating the strict traffic origin of isoprene during that period. For the winter period, a simple regression analysis was performed on daily isoprene concentrations vs. those of acetylene and three other exhaust gases tracers—propene, ethylene and 1,3-butadiene. The established regression equations, together with the four tracer concentrations, were used to estimate the vehicle exhaust fractions of isoprene. From November to March, vehicle exhaust explained the totality of isoprene levels. While traffic remained the major source of isoprene with a contribution greater than 50% during the growing season, it still constituted a non-negligible source of isoprene in summer, anti-correlated to temperature and fluctuating between 10% and 50%. The application with 1,3-butadiene gives the greatest estimation of the anthropogenic fraction of isoprene. Other sources of 1,3-butadiene, acetylene, ethylene and propene were suspected in addition to their known traffic origin.

  14. ENUMERATION OF MICROBES AND GAS PRODUCTION DURING DENITRIFICATION AND NITROGEN FIXATION PROCESSES IN SOIL

    Directory of Open Access Journals (Sweden)

    A. E. Ghaly

    2012-01-01

    Full Text Available Dry plant material contains 2-4% nitrogen, making it an essential nutrient for all plants. The nitrogen cycle regulates the pathways which transform nitrogen from a relatively inert dinitrogen gas to forms of organic nitrogen such as proteins and nucleic acids. Denitrification and nitrogen fixation are the two most important processes that remove and add nitrogen to the soil, respectively. The aim of the study was to gain information on the denitrification and nitrogen fixing activities in soil and sediment employing the acetylene technique and assuring the gas chromatography analysis by total plate count and most probably number. The results indicated that acetylene (0.1 atm inhibited N2O reduction and caused stoichiometric accumulation of N2O during the conversion of NO3- to N2. N2O was an obligatory intermediate in the sequence of steps between N2O- and N2. The appearance of CO2 and accumulation of N2O would be suitable criteria for the presence of denitrifiers in appropriately enriched media and the acetylene reduction test is a suitable assay for nitrogen fixing activity. There was an obligatory requirement for organic carbon as a carbon and energy source for denitrification and nitrogen fixation to take place. The results showed that acetylglucosamine can be used as a carbon and energy source for denitrification but not as a nitrogen source (C:N ratio of 5:1. NH4+ has no effect on denitrification activity but it inhibited the nitrogenase activity. The presence of air in the gas phase affects both the denitrification and nitrogen fixing activity while adding H2O encouraged anaerobic conditions.

  15. Nitrous oxide emission and reduction in a laboratory-incubated paddy soil response to pretreatment of water regime

    Institute of Scientific and Technical Information of China (English)

    WANG Lian-feng; CAI Zu-cong; YAN Hong

    2004-01-01

    A laboratory incubation experiment was conducted to investigate nitrous oxide(N2O) emission and reduction in a paddy soil(Stagnic Anthrosol) response to the pretreatment of water regime. The paddy soil was maintained under either air-dried(sample D) or submerged(sample F) conditions for 110 d before the soil was adjusted into soil moisture of 20%, 40%, 60%, 80% and 100% water holding capacity(WHC) respectively, and then incubated with or without 10%(v/v) acetylene for 138 h at 25℃. At lower soil water content ((60% WHC), N2O emission from the sample F was 2.29 times higher than that from the sample D(P<0.01). While, N2O emission from the sample F was only 29 and 14 percent of that from the sample D at the soil moisture of 80% and 100% WHC, respectively(P<0.01). The maximal N2O emissions observed at soil moisture of 80% WHC were about 24 and 186 times higher than the minima obtained at the soil moisture of 20% WHC for the sample F and D, respectively. But at the soil moisture of 80% and 100% WHC, N2O emission from the sample F with acetylene(F+ACE) was comparable to that of the sample D with acetylene (D+ACE). The results showed that the F sample produced N2O ability in denitrification was similar to the sample D, however, the sample F was in the better reduction of N2O to N2 than the sample D even after the soil moisture was adjusted into the same level of 80% or 100% WHC. Therefore, the pretreatment of water regime influenced the strength and product composition of denitrification and N2O emission from the paddy soil.

  16. Effect of carbon black on the performance of gas diffusion electrode of lithium-air battery%炭黑对锂空气电池气体扩散电极性能的影响

    Institute of Scientific and Technical Information of China (English)

    马玉林; 于海滨; 刘元贵; 尹鸽平

    2012-01-01

    Effects of 3 kinds of carbon black, such as BP2000,XC-72 and acetylene black on electrochemical performance of gas diffusion electrodes for lithium-air battery were studied. The discharge performance of lithium-air battery was tested, acetylene black was determined to be superior to others for electrode. Acetylene black content and load were optimized and it delivered a specific capacity of 2 531 mAh/g at 0.2 mA/cm2 by discharging to 2.0 V when the content and load reached to 80% and 1.0 mg in electrode.SEM test result showed that the battery failure was mainly due to the accumulation of reaction products in electrode.%研究了BP2000、XC-72及乙炔黑等3种炭黑对锂空气电池气体扩散电极的电化学性能影响,测试了锂空气电池的放电性能,确定了电极用的最佳炭黑为乙炔黑.对电极上乙炔黑的含量及载量进行优化,当乙炔黑含量为80%、载量为1.0 mg时,以0.2 mA/cm2的电流放电至2.0V,炭黑的比容量可达2 531 mAh/g.SEM测试结果表明:反应产物在电极上的堆积是电池失效的主要原因.

  17. Applications of a Mid-IR Quantum Cascade Laser in Gas Sensing Research

    KAUST Repository

    Sajid, Muhammad Bilal

    2015-05-01

    Laser absorption based sensors are extensively used in a variety of gas sensing areas such as combustion, atmospheric research, human breath analysis, and high resolution infrared spectroscopy. Quantum cascade lasers have recently emerged as high resolution, high power laser sources operating in mid infrared region and can have wide tunability range. These devices provide an opportunity to access stronger fundamental and combination vibrational bands located in mid infrared region than previously accessible weaker overtone vibrational bands located in near infrared region. Spectroscopic region near 8 µm contains strong vibrational bands of methane, acetylene, hydrogen peroxide, water vapor and nitrous oxide. These molecules have important applications in a wide range of applications. This thesis presents studies pertaining to spectroscopy and combustion applications. Advancements in combustion research are imperative to achieve lower emissions and higher efficiency in practical combustion devices such as gas turbines and engines. Accurate chemical kinetic models are critical to achieve predictive models which contain several thousand reactions and hundreds of species. These models need highly reliable experimental data for validation and improvements. Shock tubes are ideal devices to obtain such information. A shock tube is a homogenous, nearly constant volume, constant pressure, adiabatic and 0-D reactor. In combination with laser absorption sensors, shock tubes can be used to measure reaction rates and species time histories of several intermediates and products formed during pyrolysis and oxidation of fuels. This work describes measurement of the decomposition rate of hydrogen peroxide which is an important intermediate species controlling reactivity of combustion system in the intermediate temperature range. Spectroscopic parameters (linestrengths, broadening coefficients and temperature dependent coefficients) are determined for various transitions of

  18. Hydrogen generation via anaerobic fermentation of paper mill wastes.

    Science.gov (United States)

    Valdez-Vazquez, Idania; Sparling, Richard; Risbey, Derek; Rinderknecht-Seijas, Noemi; Poggi-Varaldo, Héctor M

    2005-11-01

    The objective of this work was to determine the hydrogen production from paper mill wastes using microbial consortia of solid substrate anaerobic digesters. Inocula from mesophilic, continuous solid substrate anaerobic digestion (SSAD) reactors were transferred to small lab scale, batch reactors. Milled paper (used as a surrogate paper waste) was added as substrate and acetylene or 2-bromoethanesulfonate (BES) was spiked for methanogenesis inhibition. In the first phase of experiments it was found that acetylene at 1% v/v in the headspace was as effective as BES in inhibiting methanogenic activity. Hydrogen gas accumulated in the headspace of the bottles, reaching a plateau. Similar final hydrogen concentrations were obtained for reactors spiked with acetylene and BES. In the second phase of tests the headspace of the batch reactors was flushed with nitrogen gas after the first plateau of hydrogen was reached, and subsequently incubated, with no further addition of inhibitor nor substrate. It was found that hydrogen production resumed and reached a second plateau, although somewhat lower than the first one. This procedure was repeated a third time and an additional amount of hydrogen was obtained. The plateaux and initial rates of hydrogen accumulation decreased in each subsequent incubation cycle. The total cumulative hydrogen harvested in the three cycles was much higher (approx. double) than in the first cycle alone. We coined this procedure as IV-SSAH (intermittently vented solid substrate anaerobic hydrogen generation). Our results point out to a feasible strategy for obtaining higher hydrogen yields from the fermentation of industrial solid wastes, and a possible combination of waste treatment processes consisting of a first stage IV-SSAH followed by a second SSAD stage. Useful products of this approach would be hydrogen, organic acids or methane, and anaerobic digestates that could be used as soil amenders after post-treatment.

  19. Modeling internal ballistics of gas combustion guns.

    Science.gov (United States)

    Schorge, Volker; Grossjohann, Rico; Schönekess, Holger C; Herbst, Jörg; Bockholdt, Britta; Ekkernkamp, Axel; Frank, Matthias

    2016-05-01

    Potato guns are popular homemade guns which work on the principle of gas combustion. They are usually constructed for recreational rather than criminal purposes. Yet some serious injuries and fatalities due to these guns are reported. As information on the internal ballistics of homemade gas combustion-powered guns is scarce, it is the aim of this work to provide an experimental model of the internal ballistics of these devices and to investigate their basic physical parameters. A gas combustion gun was constructed with a steel tube as the main component. Gas/air mixtures of acetylene, hydrogen, and ethylene were used as propellants for discharging a 46-mm caliber test projectile. Gas pressure in the combustion chamber was captured with a piezoelectric pressure sensor. Projectile velocity was measured with a ballistic speed measurement system. The maximum gas pressure, the maximum rate of pressure rise, the time parameters of the pressure curve, and the velocity and path of the projectile through the barrel as a function of time were determined according to the pressure-time curve. The maximum gas pressure was measured to be between 1.4 bar (ethylene) and 4.5 bar (acetylene). The highest maximum rate of pressure rise was determined for hydrogen at (dp/dt)max = 607 bar/s. The muzzle energy was calculated to be between 67 J (ethylene) and 204 J (acetylene). To conclude, this work provides basic information on the internal ballistics of homemade gas combustion guns. The risk of injury to the operator or bystanders is high, because accidental explosions of the gun due to the high-pressure rise during combustion of the gas/air mixture may occur. PMID:26239103

  20. Hydrogen generation via anaerobic fermentation of paper mill wastes

    Energy Technology Data Exchange (ETDEWEB)

    Valdez Vazquez, I.; Poggi Varaldo, H.M. [CINVESTAV-IPN, Mexico D.F. (Mexico). Dept. of Biotechnology and Bioengineering; Sparling, R.; Risbey, D. [Manitoba Univ., Winnipeg (Canada). Dept. of Microbiology; Rinderknecht Seijas, N. [ESIQUIE-IPN, Mexico D.F. (Mexico). Division Base Sciences

    2005-11-15

    The objective of this work was to determine the hydrogen production from paper mill wastes using microbial consortia of solid substrate anaerobic digesters. Inocula from mesophilic, continuous solid substrate anaerobic digestion (SSAD) reactors were transferred to small lab scale, batch reactors. Milled paper (used as a surrogate paper waste) was added as substrate and acetylene or 2-bromoethanesulfonate (BES) was spiked for methanogenesis inhibition. In the first phase of experiments it was found that acetylene at 1% v/v in the headspace was as effective as BES in inhibiting methanogenic activity. Hydrogen gas accumulated in the headspace of the bottles, reaching a plateau. Similar final hydrogen concentrations were obtained for reactors spiked with acetylene and BES. In the second phase of tests the headspace of the batch reactors was flushed with nitrogen gas after the first plateau of hydrogen was reached, and subsequently incubated, with no further addition of inhibitor nor substrate. It was found that hydrogen production resumed and reached a second plateau, although somewhat lower than the first one. This procedure was repeated a third time and an additional amount of hydrogen was obtained. The plateaux and initial rates of hydrogen accumulation decreased in each subsequent incubation cycle. The total cumulative hydrogen harvested in the three cycles was much higher (approx. double) than in the first cycle alone. We coined this procedure as IV-SSAH (intermittently vented solid substrate anaerobic hydrogen generation). Our results point out to a feasible strategy for obtaining higher hydrogen yields from the fermentation of industrial solid wastes, and a possible combination of waste treatment processes consisting of a first stage IV-SSAH followed by a second SSAD stage. Useful products of this approach would be hydrogen, organic acids or methane, and anaerobic digestates that could be used as soil amenders after post-treatment. (author)

  1. Readiness Review of BWXT for Fabrication of AGR-5/6/7 TRISO Particles

    Energy Technology Data Exchange (ETDEWEB)

    Marshall, Douglas William [Idaho National Lab. (INL), Idaho Falls, ID (United States); Sharp, Michelle Tracy [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-02-01

    INL readiness review assessment of BWXT readiness to commence fabrication of low-enriched TRISO coated fuel particles for the AGR-5/6/7 irradiation experiments. BWXT self-identified equipment issues preventing operation. INL identified two findings. The first was that disposition codes had not been assigned and documented on BWXT forms to ensure that off-specification materials could not be used in the fabrication of TRISO particles. The second was that chemical purity specifications were not reliably passed on to chemical suppliers, which resulted in the receipt of one acetylene cylinder with suspect impurity levels.

  2. Imploding ignition waves: I. one dimensional analysis

    OpenAIRE

    Kushnir, Doron; Livne, Eli; Waxman, Eli

    2011-01-01

    We show that converging spherical and cylindrical shock waves may ignite a detonation wave in a combustible medium, provided the radius at which the shocks become strong exceeds a critical radius, R_c. An approximate analytic expression for R_c is derived for an ideal gas equation of state and a simple (power-law-Arrhenius) reaction law, and shown to reproduce the results of numerical solutions. For typical acetylene-air experiments we find R_c~0.1 mm (spherical) and R_c~1 mm (cylindrical). W...

  3. Toroidal Imploding Detonation Wave Initiator for Pulse Detonation Engines

    OpenAIRE

    Jackson, S. I.; Shepherd, J. E.

    2007-01-01

    Imploding toroidal detonation waves were used to initiate detonations in propane–air and ethylene–air mixtures inside of a tube. The imploding wave was generated by an initiator consisting of an array of channels filled with acetylene–oxygen gas and ignited with a single spark. The initiator was designed as a low-drag initiator tube for use with pulse detonation engines. To detonate hydrocarbon–air mixtures, the initiator was overfilled so that some acetylene oxygen spilled into the tube. The...

  4. Large-scale and controllable synthesis of metal-free nitrogen-doped carbon nanofibers and nanocoils over water-soluble Na2CO3

    OpenAIRE

    Ding, Qian; Song, Xueyin; Yao, Xiujuan; Qi, Xiaosi; Au, Chak-Tong; Wei ZHONG; Du, Youwei

    2013-01-01

    Using acetylene as carbon source, ammonia as nitrogen source, and Na2CO3 powder as catalyst, we synthesized nitrogen-doped carbon nanofibers (N-CNFs) and carbon nanocoils (N-CNCs) selectively at 450°C and 500°C, respectively. The water-soluble Na2CO3 is removed through simple washing with water and the nitrogen-doped carbon nanomaterials can be collected in high purity. The approach is simple, inexpensive, and environment-benign; it can be used for controlled production of N-CNFs or N-CNCs. W...

  5. Cross-coupling of propargylated arabinogalactan with 2-bromothiophene.

    Science.gov (United States)

    Parshina, Lidiya N; Grishchenko, Lyudmila A; Larina, Lyudmila I; Novikova, Lyubov N; Trofimov, Boris A

    2016-10-01

    Novel pharmacologically prospective derivatives of arabinogalactan (a polysaccharide from larch wood) containing acetylenic and thiophene moieties have been obtained in up to 90% yield by cross-coupling of propargylic ethers of arabinogalactan with 2-bromothiophene. The reaction proceeds in the presence of the catalytic system Pd(Ph3P)4/CuBr/LiBr and piperidine in DMSO at 80-85°С. An advantageous feature of the synthesis is that it requires 5-25 times lesser catalytic loading than in common Sonogashira protocols thus making the reaction particularly beneficial to synthesize pharmaceutically-oriented polysaccharides. PMID:27312616

  6. Improved DNA clamps by stacking to adjacent nucleobases

    DEFF Research Database (Denmark)

    Fatthalla, M.I.; Pedersen, Erik Bjerregaard

    2012-01-01

    Three or four aromatic rings interconnected by acetylene bridges form a stiff conjugated system with sufficient conformational freedom to make it useful to link together the two strands of a DNA clamp. Upon targeting a ssDNA, the conformational flexibility allows better stacking of the linker to...... the underlying non-planar base triplet in the formed triplex. This type of triplexes has a substantially higher thermal melting temperature which can be further improved by inserting locked nucleic acids (LNAs) in the Hoogsteen part of the clamp. An extremely high sensitivity to mismatches is observed...

  7. Coastal versus open-ocean denitrification in the Arabian Sea

    Digital Repository Service at National Institute of Oceanography (India)

    Naqvi, S.W.A.; Naik, H.; Pratihary, A.K.; DeSouza, W.; Narvekar, P.V.; Jayakumar, D.A.; Devol, A.H.; Yoshinari, T.; Saino, T.

    is distin- guished by much higher concentrations of N2O (reaching up to similar0.8 ?M) as compared to the open ocean. The highest val- ues are unexpectedly associated with very high NO-2 (reach- ing up to 16 ?M) and low (near exhaustion) NO-3 levels of- ten... then account for the low delta15N-NO-3 val- ues. The few data on sedimentary denitrification, measured mostly during the upwelling period following the acetylene block technique, have yielded values ranging from 0.23 to 1.25 mmol NO-3 m-2 d-1, which...

  8. Production of Carbon Nanotubes over Pre-reduced LaCoO3 by Using Fluidized-bed Catalytic Reactor

    Institute of Scientific and Technical Information of China (English)

    刘宝春; 唐水花; 梁奇; 高利珍; 张伯兰; 瞿美臻; 于作龙

    2001-01-01

    A technique has been developed to grow carbon nanotubes by flowing acetylene over pre-reduced LaCoO3 catalyst in a fluidized- bed catalytic reactor. Carbon nanotubes were characterized by means of SEM and TEM. The pre-reduced LaCoO3catalyst was found to be effective in producing carbon nanotubes with even diameter. The effects of reduction temperature of LaCoO3 on the growth of carbon nanotubes were investigated. This process can easily be scaled up.

  9. Screening for endophytic nitrogen-fixing bacteria in Brazilian sugar cane varieties used in organic farming and description of Stenotrophomonas pavanii sp. nov.

    OpenAIRE

    Ramos, Patricia L; Van Trappen, Stefanie; Thompson, Fabiano L.; Rocha, Rafael CS; Heloiza R. Barbosa; De Vos, Paul; Moreira-Filho, Carlos A

    2011-01-01

    In a study investigating the biodiversity of endophytic nitrogen-fixing bacteria in Brazilian sugarcane plants, 31 isolates were obtained from roots, stems and leaves. Nitrogen fixation capability was determined by the acetylene reduction assay (ARA) and the presence of the nifH gene sequence was detected by dot-blot hybridization. RFLP-PCR patterns and 16S rRNA gene sequence analysis revealed the presence of 11 different bacterial genera. One strain (ICB 89T), belonging to the genus Stenotro...

  10. Selective coupling reaction between 2,6-diiodoanisoles and terminal alkynes catalyzed by Pd(PPh32Cl2 and CuI

    Directory of Open Access Journals (Sweden)

    Allan F. C. Rossini

    2012-06-01

    Full Text Available The cross-coupling reaction between aryl halides and terminal alkynes, catalyzed by palladium complexes and copper (I salts, consists in an efficient synthetic tool for the formation of C-C bonds, resulting in disubstituted acetylenic compounds. Accordingly, in this work we present our preliminary results involving the selective cross-coupling reaction between 2,6-diiodoanisoles and terminal alkynes, catalyzed by Pd(PPh32Cl2 and CuI, in the formation of 2-iodo-alkynylanisoles (scheme 1.

  11. Selection for nitrogen fixation associative traits in legumes

    International Nuclear Information System (INIS)

    This paper describes investigations carried out to develop screening procedures to select for plant characteristics associated with symbiotic nitrogen fixation. The procedures described are to select for early nodulation, effectiveness in nitrogen fixation, and uniform nodulation by an effective strain of Rhizobium. The use of the acetylene reduction technique to select for nitrogenase activity and its correlation with other plant traits is discussed. The use of nuclear techniques to increase genetic variability in legumes and to evaluate legume germ plasms bred for nitrogen fixation associative traits is also discussed in the context of crop improvement. (author)

  12. SOLUBLE POLYACETYLENE OBTAINED WITH RARE-EARTH CATALYST AND SOME ASPECTS OF POLYMERIZATION MECHANISM

    Institute of Scientific and Technical Information of China (English)

    HU Xiaodong; WANG Fosong; ZHAO Xiaojiang; YAN Deyue

    1987-01-01

    Soluble polyacetylene (PA) with well-defined nature has been synthesized with catalyst system Nd(i-Opr)3/AlR3 (R = C2H5-, i-C4H9-) and characterized by IR, Raman and ESR Spectra etc. Number average molecular weight of the soluble specimen were determined by VPO to be about 500g/mol. Or lower.The IR and NMR spectra and end group analysis of the soluble polyacetylene fully demonstrate that polymerization of acetylene with rare-earth catalyst is realized through monomer insertion between the transition metal-carbon bond.

  13. Fluoralkenyl nortropanes

    Science.gov (United States)

    Goodman, Mark M.; Chen, Ping

    2002-02-05

    Provided are compounds of the following formula: ##STR1## wherein R is C2-C6 mono- or multi-unsaturated hydrocarbon having one or more ethylene, acetylene or allene groups, A is 18 or 19, and X is H or halogen. The compounds of the invention bind to dopamine transporter with high affinity and selectivity and are thus useful as diagnostic and therapeutic agents for diseases associated with dopamine transporter dysfunction. The radiolabeled compounds are useful as imaging agents for visualizing the location and density of dopamine transporter by PET imaging.

  14. Synthesis of nucleoside and nucleotide conjugates of bile acids, and polymerase construction of bile acid-functionalized DNA.

    Science.gov (United States)

    Ikonen, Satu; Macícková-Cahová, Hana; Pohl, Radek; Sanda, Miloslav; Hocek, Michal

    2010-03-01

    Aqueous Sonogashira cross-coupling reactions of 5-iodopyrimidine or 7-iodo-7-deazaadenine nucleosides with bile acid-derived terminal acetylenes linked via an ester or amide tether gave the corresponding bile acid-nucleoside conjugates. Analogous reactions of halogenated nucleoside triphosphates gave directly bile acid-modified dNTPs. Enzymatic incorporation of these modified nucleotides to DNA was successfully performed using Phusion polymerase for primer extension. One of the dNTPs (dCTP bearing cholic acid) was also efficient for PCR amplification. PMID:20165813

  15. Synthesis, anti-microbial activity and molecular docking studies on triazolylcoumarin derivatives

    Indian Academy of Sciences (India)

    Chinnadurai Satheeshkumar; Mahalingam Ravivarma; Pandian Arjun; Vaithiyanathan Silambarasan; Nanjian Raaman; Devadasan Velmurugan; Changsik Song; Perumal Rajakumar

    2015-03-01

    A series of triazolylcoumarins was synthesized by the cycloaddition of acetylenic derivatives to azide in the presence of Cu(I) catalyst at room temperature. All the synthesized compounds were evaluated for their anti-microbial activity against Gram-positive (B. subtilis and S. aureus), Gram-negative bacteria (K. pneumonia and P. vulgaris) and human pathogenic fungi (C. tropicalis and C. krusei), with tetracycline and fluconazole as standards for anti-microbial and anti-fungal activity. Triazolylcoumarins exhibit anti-microbial activity against all the tested pathogens, which is further supported by molecular docking studies.

  16. Effects of Atmospheric NO2 on Azolla-Anabaena Symbiosis.

    OpenAIRE

    Hur, Jae-Seoun; Wellburn, Alan R.

    1994-01-01

    Cultures of the water fern Azolla pinnata R, Br. exposed for 1 week to atmospheric NO2 (50, 100 or 200 nl l-1) induced additional levels of nitrate reductase (NaR) protein and nitrite reductase (NiR) activity. At low concentrations of NO2 (50 nl l-1), nitrate derived from NO2 provides an alternative N source for Azolla but does not affect rates of acetylene reduction. However, the symbiotic relationship between Azolla and its endosymbiont, Anabaena azollae is only affected adversely by high c...

  17. Iterative type I polyketide synthases involved in enediyne natural product biosynthesis.

    Science.gov (United States)

    Chen, Xiaolei; Ji, Rui; Jiang, Xin; Yang, Rongqiang; Liu, Fuli; Xin, Ying

    2014-09-01

    Enediyne natural products are potent antibiotics structurally characterized by an enediyne core containing two acetylenic groups conjugated to a double bond in a 9- or 10-membered carbocycle. The biosynthetic gene clusters for enediynes encode a novel iterative type I polyketide synthase (PKSE), which is generally believed to initiate the biosynthetic process of enediyne cores. This review article will cover research efforts made since its discovery to elucidate the role of the PKSE in enediyne core biosynthesis. Topics covered include the unique domain architecture, identification, and characterization of turnover products, and interaction with partner thioesterase protein. PMID:25278375

  18. Construction safety program for the National Ignition Facility, Appendix A

    Energy Technology Data Exchange (ETDEWEB)

    Cerruti, S.J.

    1997-06-26

    Topics covered in this appendix include: General Rules-Code of Safe Practices; 2. Personal Protective Equipment; Hazardous Material Control; Traffic Control; Fire Prevention; Sanitation and First Aid; Confined Space Safety Requirements; Ladders and Stairways; Scaffolding and Lift Safety; Machinery, Vehicles, and Heavy Equipment; Welding and Cutting-General; Arc Welding; Oxygen/Acetylene Welding and Cutting; Excavation, Trenching, and Shoring; Fall Protection; Steel Erection; Working With Asbestos; Radiation Safety; Hand Tools; Electrical Safety; Nonelectrical Work Performed Near Exposed High-Voltage Power-Distribution Equipment; Lockout/Tagout Requirements; Rigging; A-Cranes; Housekeeping; Material Handling and Storage; Lead; Concrete and Masonry Construction.

  19. On-chip spectroscopy with thermally-tuned high-Q photonic crystal cavities

    CERN Document Server

    Liapis, Andreas C; Siddiqui, Mahmudur R; Shi, Zhimin; Boyd, Robert W

    2015-01-01

    Spectroscopic methods are a sensitive way to determine the chemical composition of potentially hazardous materials. Here, we demonstrate that thermally-tuned high-Q photonic crystal cavities can be used as a compact high-resolution on-chip spectrometer. We have used such a chip-scale spectrometer to measure the absorption spectra of both acetylene and hydrogen cyanide in the 1550 nm spectral band, and show that we can discriminate between the two chemical species even though the two materials have spectral features in the same spectral region. Our results pave the way for the development of chip-size chemical sensors that can detect toxic substances.

  20. Spin-orbit Splitting and Lifetime Broadening in the A2△ Electronic State of l-C5H

    Institute of Scientific and Technical Information of China (English)

    Mohammad Ali Haddad; Dong-feng Zhao; Harold Linnartza; Wim Ubachs

    2012-01-01

    Optical absorption bands at ~18772 and ~18807 cm-1,previously assigned to A2△-X2Ⅱelectronic origin band transitions of the linear carbon-chain radicals C5H and CsD,respectively,have been reinvestigated.The spectra have been recorded in direct absorption applying cavity ring-down spectroscopy to a supersonically expanding acetylene/helium plasma.The improved spectra allow deducing a l-C5H upper state spin-orbit coupling constant A1=-0.7(3) cm-1 and a A2△ lifetime of 1.6±0.3 ps.