WorldWideScience

Sample records for hydrocarbon bands c-h

  1. Kinetics of Hydrocarbon formation in a-C:H film deposition plasmas

    International Nuclear Information System (INIS)

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

    1993-01-01

    The formation of C 2 and C 3 hydrocarbons during the PACVD of a-C-H films from admixtures of methane with H 2 and He has been investigated by mass spectrometry under several deposition condition. The time evolution of the observed species indicates that the formation mechanism 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 carburized metal. (Author)

  2. Thermal evolution of the band edges of 6H-SiC: X-ray methods compared to the optical band gap

    International Nuclear Information System (INIS)

    Miedema, P.S.; Beye, M.; Könnecke, R.; Schiwietz, G.; Föhlisch, A.

    2014-01-01

    Highlights: • Conduction band minima (CBM) of 6H-SiC are estimated with Si 2p XAS. • Valence band maxima (VBM) of 6H-SiC are estimated with non-resonant Si 2p XES. • Temperature-dependent VBM and CBM of 6H-SiC show asymmetric band gap closing. • XAS, XES and RIXS band gap estimates are compared with the optical band gap. • XAS + XES versus optical band gap provides core-excitonic screening energies. - Abstract: The band gap of semiconductors like silicon and silicon carbide (SiC) is the key for their device properties. In this research, the band gap of 6H-SiC and its temperature dependence were analyzed with silicon 2p X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) allowing for a separate analysis of the conduction-band minimum (CBM) and valence-band maximum (VBM) components of the band gap. The temperature-dependent asymmetric band gap shrinking of 6H-SiC was determined with a valence-band slope of +2.45 × 10 −4 eV/K and a conduction-band slope of −1.334 × 10 −4 eV/K. The apparent asymmetry, e.g., that two thirds of the band-gap shrinking with increasing temperature is due to the VBM evolution in 6H-SiC, is similar to the asymmetry obtained for pure silicon before. The overall band gap temperature-dependence determined with XAS and non-resonant XES is compared to temperature-dependent optical studies. The core-excitonic binding energy appearing in the Si 2p XAS is extracted as the main difference. In addition, the energy loss of the onset of the first band in RIXS yields to values similar to the optical band gap over the tested temperature range

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

    International Nuclear Information System (INIS)

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

    1993-01-01

    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

  4. 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.

  5. POLYCYCLIC AROMATIC HYDROCARBONS WITH ARMCHAIR EDGES AND THE 12.7 μm BAND

    International Nuclear Information System (INIS)

    Candian, A.; Tielens, A. G. G. M.; Sarre, P. J.

    2014-01-01

    In this Letter, we report the results of density functional theory calculations on medium-sized neutral polycyclic aromatic hydrocarbon (PAH) molecules with armchair edges. These PAH molecules possess strong C-H stretching and bending modes around 3 μm and in the fingerprint region (10-15 μm), and also strong ring deformation modes around 12.7 μm. Perusal of the entries in the NASA Ames PAHs Database shows that ring deformation modes of PAHs are common, although generally weak. Therefore, we propose that armchair PAHs with N C > 65 are responsible for the 12.7 μm aromatic infrared band in H II regions and discuss the astrophysical implications in the context of the PAH life cycle

  6. Linear C32H66 hydrocarbon in the mixed state with C10H22 ...

    Indian Academy of Sciences (India)

    Unknown

    S R Research Laboratory for Studies in Crystallization Phenomena, 10-1-96, ... mixed state with certain shorter chain length homologues (SMOLLENCs), estimated ... Methods. Five hydrocarbons of even carbon numbers, C10, C12, C14, C16 ...

  7. Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems

    International Nuclear Information System (INIS)

    Li, Jun; Zhang, Zhigang; Luo, Xiaorong; Li, Xiaochun

    2015-01-01

    Highlights: • A new model was established for the phase equilibria of C1–C2–C3–nC4–brine systems. • The model can reproduce of hydrocarbon–brine equilibria to high T&P and salinity. • The model can well predict H 2 O solubility in light hydrocarbon rich phases. - Abstract: A thermodynamic model is presented for the mutual solubility of CH 4 –C 2 H 6 –C 3 H 8 –nC 4 H 10 –brine systems up to high temperature, pressure and salinity. The Peng–Robinson model is used for non-aqueous phase fugacity calculations, and the Pitzer model is used for aqueous phase activity calculations. The model can accurately reproduce the experimental solubilities of CH 4 , C 2 H 6 , C 3 H 8 and nC 4 H 10 in water or NaCl solutions and H 2 O solubility in the non-aqueous phase. The experimental data of mutual solubility for the CH 4 –brine subsystem are sufficient for temperatures exceeding 250 °C, pressures exceeding 1000 bar and NaCl molalities greater than 6 molal. Compared to the CH 4 –brine system, the mutual solubility data of C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine are not sufficient. Based on the comparison with the experimental data of H 2 O solubility in C 2 H 6 -, C 3 H 8 - or nC 4 H 10 -rich phases, the model has an excellent capability for the prediction of H 2 O solubility in hydrocarbon-rich phases, as these experimental data were not used in the modelling. Predictions of hydrocarbon solubility (at temperatures up to 200 °C, pressures up to 1000 bar and NaCl molalities greater than 6 molal) were made for the C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine systems. The predictions suggest that increasing pressure generally increases the hydrocarbon solubility in water or brine, especially in the lower-pressure region. Increasing temperature usually decreases the hydrocarbon solubility at lower temperatures but increases the hydrocarbon solubility at higher temperatures. Increasing water salinity dramatically decreases

  8. Autothermal reforming of liquid hydrocarbons for H{sub 2} production

    Energy Technology Data Exchange (ETDEWEB)

    Palm, C.; Montel, S.; Cremer, P.; Peters, R.; Stolten, D. [Forschungszentrum Juelich GmbH (Germany). Inst. for Materials and Processes in Energy Systems IWV-3: Process Engineering

    2001-07-01

    The process of autothermal reforming of hydrocarbons can be used for the production of hydrogen within a fuel cell system. The application of three precious metal catalysts for the autothermal reforming of alkane mixtures with boiling ranges between 235 and 325 C was examined. The experiments were carried out at n(O{sub 2})/n(C) = 0.40, n(H{sub 2}O)/n(C) = 2.20, a catalyst bed temperature between 730 and 570 C and a hydrocarbon feed of 30 g/h. The catalysts yielded different hydrocarbon conversions, which can be explained by differences in the activity for the steam reforming reaction. The most active catalyst was also successfully utilized in the conversion of 400 g/h hydrocarbon feed. (orig.)

  9. Thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap semiconductors SiC, GaN, and ZnO

    Directory of Open Access Journals (Sweden)

    Zheng Huang

    2015-09-01

    Full Text Available We have investigated the thermoelectric properties of the 3C, 2H, 4H, and 6H polytypes of the wide-band-gap(n-type semiconductors SiC, GaN, and ZnO based on first-principles calculations and Boltzmann transport theory. Our results show that the thermoelectric performance increases from 3C to 6H, 4H, and 2H structures with an increase of hexagonality for SiC. However, for GaN and ZnO, their power factors show a very weak dependence on the polytype. Detailed analysis of the thermoelectric properties with respect to temperature and carrier concentration of 4H-SiC, 2H-GaN, and 2H-ZnO shows that the figure of merit of these three compounds increases with temperature, indicating the promising potential applications of these thermoelectric materials at high temperature. The significant difference of the polytype-dependent thermoelectric properties among SiC, GaN, and ZnO might be related to the competition between covalency and ionicity in these semiconductors. Our calculations may provide a new way to enhance the thermoelectric properties of wide-band-gap semiconductors through atomic structure design, especially hexagonality design for SiC.

  10. Valence and conduction band offsets at low-k a-SiO{sub x}C{sub y}:H/a-SiC{sub x}N{sub y}:H interfaces

    Energy Technology Data Exchange (ETDEWEB)

    King, Sean W., E-mail: sean.king@intel.com; Brockman, Justin; French, Marc; Jaehnig, Milt; Kuhn, Markus [Logic Technology Development, Intel Corporation, Hillsboro, Oregon 97124 (United States); French, Benjamin [Ocotillo Materials Laboratory, Intel Corporation, Chandler, Arizona 85248 (United States)

    2014-09-21

    In order to understand the fundamental electrical leakage and reliability failure mechanisms in nano-electronic low-k dielectric/metal interconnect structures, we have utilized x-ray photoelectron spectroscopy and reflection electron energy loss spectroscopy to determine the valence and conduction band offsets present at interfaces between non-porous and porous low-k a-SiO{sub x}C{sub y}:H interlayer dielectrics and a-SiC{sub x}N{sub y}:H metal capping layers. The valence band offset for such interfaces was determined to be 2.7±0.2 eV and weakly dependent on the a-SiOC:H porosity. The corresponding conduction band offset was determined to be 2.1±0.2 eV. The large band offsets indicate that intra metal layer leakage is likely dominated by defects and trap states in the a-SiOC:H and a-SiCN:H dielectrics.

  11. The chemical composition and band gap of amorphous Si:C:N:H layers

    Energy Technology Data Exchange (ETDEWEB)

    Swatowska, Barbara, E-mail: swatow@agh.edu.pl [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Kluska, Stanislawa; Jurzecka-Szymacha, Maria [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Stapinski, Tomasz [AGH University of Science and Technology, Department of Electronics, Mickiewicza Av. 30, 30-059 Krakow (Poland); Tkacz-Smiech, Katarzyna [AGH University of Science and Technology, Faculty of Materials Science and Ceramics, Mickiewicza Av. 30, 30-059 Krakow (Poland)

    2016-05-15

    Highlights: • Six type of amorphous hydrogenated films were obtained and analysed. • Investigated chemical bondings strongly influenced energy gap values. • Analysed layers could be applied as semiconductors and also as dielectrics. - Abstract: In this work we presented the correlation between the chemical composition of amorphous Si:C:N:H layers of various content of silicon, carbon and nitrogen, and their band gap. The series of amorphous Si:C:N:H layers were obtained by plasma assisted chemical vapour deposition method in which plasma was generated by RF (13.56 MHz, 300 W) and MW (2.45 GHz, 2 kW) onto monocrystalline silicon Si(001) and borosilicate glass. Structural studies were based on FTIR transmission spectrum registered within wavenumbers 400–4000 cm{sup −1}. The presence of Si−C, Si−N, C−N, C=N, C=C, C≡N, Si−H and C−H bonds was shown. The values band gap of the layers have been determined from spectrophotometric and ellipsometric measurements. The respective values are contained in the range between 1.64 eV – characteristic for typical semiconductor and 4.21 eV – for good dielectric, depending on the chemical composition and atomic structure of the layers.

  12. Solid organic residues produced by irradiation of hydrocarbon-containing H2O and H2O/NH3 ices - Infrared spectroscopy and astronomical implications

    International Nuclear Information System (INIS)

    Khare, B.N.; Thompson, W.R.; Murray, B.G.J.P.T.; Chyba, C.F.; Sagan, C.

    1989-01-01

    Plasma-discharge irradiations were conducted for the methane clathrate expected in outer solar system satellites and cometary nuclei; also irradiated were ices prepared from other combinations of H 2 O with CH 4 , C 2 H 6 , or C 2 H 2 . Upon evaporation of the yellowish-to-tan irradiated ices, it is found that a colored solid film adheres to the walls of the reaction vessel at room temperature. These organic films are found to exhibit IR band identifiable with alkane, aldehide, alcohol, and perhaps alkene, as well as substituted aromatic functional groups. These spectra are compared with previous studies of UV- or photon-irradiated nonclathrated hydrocarbon-containing ices. 73 refs

  13. L-band brightness temperature disaggregation for use with S-band and C-band radiometer data for WCOM

    Science.gov (United States)

    Yao, P.; Shi, J.; Zhao, T.; Cosh, M. H.; Bindlish, R.

    2017-12-01

    There are two passive microwave sensors onboard the Water Cycle Observation Mission (WCOM), which includes a synthetic aperture radiometer operating at L-S-C bands and a scanning microwave radiometer operating from C- to W-bands. It provides a unique opportunity to disaggregate L-band brightness temperature (soil moisture) with S-band C-bands radiometer data. In this study, passive-only downscaling methodologies are developed and evaluated. Based on the radiative transfer modeling, it was found that the TBs (brightness temperature) between the L-band and S-band exhibit a linear relationship, and there is an exponential relationship between L-band and C-band. We carried out the downscaling results by two methods: (1) downscaling with L-S-C band passive measurements with the same incidence angle from payload IMI; (2) downscaling with L-C band passive measurements with different incidence angle from payloads IMI and PMI. The downscaling method with L-S bands with the same incident angle was first evaluated using SMEX02 data. The RMSE are 2.69 K and 1.52 K for H and V polarization respectively. The downscaling method with L-C bands is developed with different incident angles using SMEX03 data. The RMSE are 2.97 K and 2.68 K for H and V polarization respectively. These results showed that high-resolution L-band brightness temperature and soil moisture products could be generated from the future WCOM passive-only observations.

  14. Measurement of the C / H ratio using neutrons; Mesure du rapport C / H au moyen des neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Martinelli, P [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires; Ricci, H [Universite de Lima (Peru)

    1960-07-01

    A probe made up of a Ra ({alpha}, n) Be neutron source and a proportional counter filled with boron trifluoride has been used to measure the C/H ratio in hydrocarbons. The intensity of the thermal neutron flux in the neighbourhood of the detector increases with the concentration of the hydrocarbon hydrogen surrounding it. By measuring the density it is possible to deduce the C/H ratio. It is thus possible to evaluate the C/H ratio with a precision equal to that given by the {beta}-ray transmission method. The errors arising from the chemical nature of the hydrocarbon can be reduced to a minimum. This method has the advantage of allowing the measurement of the C/H ratio of hydrocarbons contained in recipients or thick steel tubing by means an independent portable apparatus. (author) [French] Une sonde constituee d'une source de neutrons Ra ({alpha}, n) Be et d'un compteur proportionnel a remplissage de trifluorure de bore a ete utilisee pour mesurer le rapport C/H dans les hydrocarbures. Le flux des neutrons thermiques au voisinage du detecteur est d'autant plus intense que la concentration en hydrogene de l'hydrocarbure qui entoure la sonde est plus elevee. Une mesure de densite permet d'en deduire le rapport C/H. On peut ainsi evaluer le rapport C/H avec une precision aussi bonne que celle que l'on obtient par transmission de rayons {beta}. Les erreurs provenant de la nature chimique de l'hydrocarbure peuvent etre minimisees. Cette methode presente l'avantage de permettre la mesure du rapport C/H d'hydrocarbures contenus dans des recipients ou des canalisations epaisses en acier a l'aide d'un appareil exterieur transportable. (auteur)

  15. Hydrocarbon transport in the laboratory plasma (MAP)

    Energy Technology Data Exchange (ETDEWEB)

    Matsuyama, Seiji; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.; Tanaka, Satoru

    1996-10-01

    Hydrocarbons are admitted in the laboratory plasma in order to investigate the transport processes of carbon - containing molecules in relation to redeposition processes in the fusion boundary plasma. When CH{sub 4} was introduced into the plasma, CH radical band spectra were optically identified, while in the case of C{sub 2}H{sub 2} introduction, C{sub 2} radicals were also identified in addition to CH radicals. Excitation temperature was determined from CH and C{sub 2} spectra band, which was observed to increase on approaching to the target. (author)

  16. LABORATORY GAS-PHASE DETECTION OF THE CYCLOPROPENYL CATION (c-C{sub 3}H{sub 3} {sup +})

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Dongfeng; Doney, Kirstin D.; Linnartz, Harold, E-mail: zhao@strw.leidenuniv.nl [Sackler Laboratory for Astrophysics, Leiden Observatory, University of Leiden, PO Box 9513, NL 2300 RA Leiden (Netherlands)

    2014-08-20

    The cyclopropenyl cation (c-C{sub 3}H{sub 3} {sup +}) is the smallest aromatic hydrocarbon molecule and considered to be a pivotal intermediate in ion-molecule reactions in space. An astronomical identification has been prohibited so far, because of a lack of gas-phase data. Here we report the first high resolution infrared laboratory gas-phase spectrum of the ν {sub 4} (C-H asymmetric stretching) fundamental band of c-C{sub 3}H{sub 3} {sup +}. The c-C{sub 3}H{sub 3} {sup +} cations are generated in supersonically expanding planar plasma by discharging a propyne/helium gas pulse, yielding a rotational temperature of ∼35 K. The absorption spectrum is recorded in the 3.19 μm region using sensitive continuous-wave cavity ring-down spectroscopy. The analysis of about 130 ro-vibrational transitions results in precise spectroscopic parameters. These constants allow for an accurate comparison with high-level theoretical predictions, and provide the relevant information needed to search for this astrochemically relevant carbo-cation in space.

  17. C2-C10 hydrocarbon emissions from a boreal wetland and forest floor

    Directory of Open Access Journals (Sweden)

    H. Hellén

    2006-01-01

    Full Text Available Emissions of various C2-C10 hydrocarbons (VOCs and halogenated hydrocarbons (VHOCs from a boreal wetland and a Scots pine forest floor in south-western Finland were measured by the static chamber technique. Isoprene was the main non-methane hydrocarbon emitted by the wetland, but small emissions of ethene, propane, propene, 1-butene, 2-methylpropene, butane, pentane and hexane were also detected. The isoprene emission from the wetland was observed to follow the commonly-used isoprene emission algorithm. The mean emission potential of isoprene was 224 µg m-2 h-1 for the whole season. This is lower than the emission potentials published earlier; that is probably at least partly due to the cold and cloudy weather during the measurements. No emissions were detected of monoterpenes or halogenated hydrocarbons from the wetland. The highest hydrocarbon emissions from the Scots pine forest floor were measured in spring and autumn. However, only a few measurements were conducted during summer. The main compounds emitted were monoterpenes. Isoprene emissions were negligible. The total monoterpene emission rates varied from zero to 373 µg m-2 h-1. The results indicated that decaying plant litter may be the source for these emissions. Small emissions of chloroform (100-800 ng m-2 h-1, ethene, propane, propene, 2-methylpropene, cis-2-butene, pentane, hexane and heptane were detected. Comparison with Scots pine emissions showed that the forest floor may be an important monoterpene source, especially in spring.

  18. Gas-phase Absorptions of {{\\rm{C}}}_{42}{{\\rm{H}}}_{18}^{+} near 8300 Å below 10 K: Astronomical Implications

    Science.gov (United States)

    Campbell, E. K.; Maier, J. P.

    2017-11-01

    The gas-phase electronic spectrum of {{{C}}}42{{{H}}}18+ ({{HBC}}+) with an origin band at 8281 \\mathringA has been measured below 10 {{K}} by photofragmentation of helium complexes ({{{C}}}42{{{H}}}18+{--}{{He}}n) in a radiofrequency trap. {{HBC}}+ is a medium-sized polycyclic aromatic hydrocarbon (PAH) cation, and using an ion trapping technique it has been possible to record a high-quality gas-phase spectrum to directly compare with astronomical observations. No diffuse interstellar bands (DIBs) have been reported at the wavelengths of the strongest absorption bands in the {{{C}}}42{{{H}}}18+ spectrum. Measurement of absolute absorption cross sections in the ion trap allows upper limits to the column density of this ion to be {10}12 {{cm}}-2, indicating that even PAH cations of this size, which are believed to be stable in the interstellar medium, should be excluded as candidates for at least the strong DIBs.

  19. Crossed-beam reaction of carbon atoms with hydrocarbon molecules. IV. Chemical dynamics of methylpropargyl radical formation, C4H5, from reaction of C(3Pj) with propylene, C3H6 (X1A)

    International Nuclear Information System (INIS)

    Kaiser, R.I.; Stranges, D.; Bevsek, H.M.; Lee, Y.T.; Suits, A.G.

    1997-01-01

    The reaction between ground state carbon atoms and propylene, C 3 H 6 , was studied at average collision energies of 23.3 and 45.0 kJmol -1 using the crossed molecular beam technique. Product angular distributions and time-of-flight spectra of C 4 H 5 at m/e=53 were recorded. Forward-convolution fitting of the data yields a maximum energy release as well as angular distributions consistent with the formation of methylpropargyl radicals. Reaction dynamics inferred from the experimental results suggest that the reaction proceeds on the lowest 3 A surface via an initial addition of the carbon atom to the π-orbital to form a triplet methylcyclopropylidene collision complex followed by ring opening to triplet 1,2-butadiene. Within 0.3 endash 0.6 ps, 1,2-butadiene decomposes through carbon endash hydrogen bond rupture to atomic hydrogen and methylpropargyl radicals. The explicit identification of C 4 H 5 under single collision conditions represents a further example of a carbon endash hydrogen exchange in reactions of ground state carbon with unsaturated hydrocarbons. This versatile machine represents an alternative pathway to build up unsaturated hydrocarbon chains in combustion processes, chemical vapor deposition, and in the interstellar medium. copyright 1997 American Institute of Physics

  20. First line shape analysis and spectroscopic parameters for the ν11 band of 12C2H4

    KAUST Repository

    Es-sebbar, Et-touhami

    2016-08-11

    An accurate knowledge of line intensities, collisional broadening coefficients and narrowing parameters is necessary for the interpretation of high-resolution infrared spectra of the Earth and other planetary atmospheres. One of the most promising spectral domains for (C2H4)-C-12 monitoring in such environments is located near the 336 gm window, through its v(11) C-H stretching mode. In this paper, we report an extensive study in which we precisely determine spectroscopic parameters of (C2H4)-C-12 v(11) band at 297 +/- 1 K, using a narrow Difference-Frequency-Generation (DFG) laser with 10(-4) cm(-1) resolution. Absorption measurements were performed in the 2975-2980 cm(-1) spectral window to investigate 32 lines corresponding to where, J\\'ka\\',kc\\'<- Jka,kc, 5 <= J <= 7; 0.5 <= K-a <= 6 and 1 <= K-c <= 14. Spectroscopic parameters are retrieved using either Voigt or appropriate Galatry profile to simulate the measured (C2H4)-C-12 line shape. Line intensities along with self-broadening coefficients are reported for all lines. Narrowing coefficients for each isolated line are also derived. To our knowledge, the current study reports the first extensive spectroscopic parameter measurements of the (C2H4)-C-12 v(11) band in the 2975-2980 cm(-1) range. (C) 2016 Elsevier Ltd. All rights reserved.

  1. First line shape analysis and spectroscopic parameters for the ν11 band of 12C2H4

    KAUST Repository

    Es-sebbar, Et-touhami; Mantzaras, John; Benilan, Yves; Farooq, Aamir

    2016-01-01

    An accurate knowledge of line intensities, collisional broadening coefficients and narrowing parameters is necessary for the interpretation of high-resolution infrared spectra of the Earth and other planetary atmospheres. One of the most promising spectral domains for (C2H4)-C-12 monitoring in such environments is located near the 336 gm window, through its v(11) C-H stretching mode. In this paper, we report an extensive study in which we precisely determine spectroscopic parameters of (C2H4)-C-12 v(11) band at 297 +/- 1 K, using a narrow Difference-Frequency-Generation (DFG) laser with 10(-4) cm(-1) resolution. Absorption measurements were performed in the 2975-2980 cm(-1) spectral window to investigate 32 lines corresponding to where, J'ka',kc'<- Jka,kc, 5 <= J <= 7; 0.5 <= K-a <= 6 and 1 <= K-c <= 14. Spectroscopic parameters are retrieved using either Voigt or appropriate Galatry profile to simulate the measured (C2H4)-C-12 line shape. Line intensities along with self-broadening coefficients are reported for all lines. Narrowing coefficients for each isolated line are also derived. To our knowledge, the current study reports the first extensive spectroscopic parameter measurements of the (C2H4)-C-12 v(11) band in the 2975-2980 cm(-1) range. (C) 2016 Elsevier Ltd. All rights reserved.

  2. GPI Spectra of HR8799 C, D, and E in H-K Bands with KLIP Forward Modeling

    Science.gov (United States)

    Greenbaum, Alexandra Z.; Pueyo, Laurent; Ruffio, Jean-Baptiste; Wang, Jason J.; De Rosa, Robert J.; Aguilar, Jonathan; Rameau, Julien; Barman, Travis; Marois, Christian; Marley, Mark S.; hide

    2018-01-01

    We demonstrate KLIP forward modeling spectral extraction on Gemini Planet Imager coronagraphic data of HR8799, using PyKLIP. We report new and re-reduced spectrophotometry of HR8799 c, d, and e from H-K bands. We discuss a strategy for choosing optimal KLIP PSF subtraction parameters by injecting fake sources and recovering them over a range of parameters. The K1/K2 spectra for planets c and d are similar to previously published results from the same dataset. We also present a K band spectrum of HR8799e for the first time and show that our H-band spectra agree well with previously published spectra from the VLT/SPHERE instrument. We compare planets c, d, and e with M, L, and T-type field objects. All objects are consistent with low gravity mid-to-late L dwarfs, however, a lack of standard spectra for low gravity late L-type objects lead to poor fit for gravity. We place our results in context of atmospheric models presented in previous publications and discuss differences in the spectra of the three planets.

  3. Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C{sub 2}H{sub 4}) and D4-Ethylene (C{sub 2}D{sub 4}) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Abplanalp, Matthew J.; Kaiser, Ralf I., E-mail: ralfk@hawaii.edu [W. M. Keck Research Laboratory in Astrochemistry, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)

    2017-02-20

    The processing of the hydrocarbon ice, ethylene (C{sub 2}H{sub 4}/C{sub 2}D{sub 4}), via energetic electrons, thus simulating the processes in the track of galactic cosmic-ray particles, was carried out in an ultrahigh vacuum apparatus. The chemical evolution of the ices was monitored online and in situ utilizing Fourier transform infrared spectroscopy (FTIR) and during temperature programmed desorption, via a quadrupole mass spectrometer utilizing electron impact ionization (EI-QMS) and a reflectron time-of-flight mass spectrometer utilizing a photoionization source (PI-ReTOF-MS). Several previous in situ studies of ethylene ice irradiation using FTIR were substantiated with the detection of six products: [CH{sub 4} (CD{sub 4})], acetylene [C{sub 2}H{sub 2} (C{sub 2}D{sub 2})], the ethyl radical [C{sub 2}H{sub 5} (C{sub 2}D{sub 5})], ethane [C{sub 2}H{sub 6} (C{sub 2}D{sub 6})], 1-butene [C{sub 4}H{sub 8} (C{sub 4}D{sub 8})], and n -butane [C{sub 4}H{sub 10} (C{sub 4}D{sub 10})]. Contrary to previous gas phase studies, the PI-ReTOF-MS detected several groups of hydrocarbon with varying degrees of saturation: C{sub n}H{sub 2n+2} (n = 4–10), C{sub n}H{sub 2n} ( n = 2–12, 14, 16), C{sub n}H{sub 2n−2} ( n = 3–12, 14, 16), C{sub n}H{sub 2n−4} (n = 4–12, 14, 16), C{sub n}H{sub 2n−6} (n = 4–10, 12), C{sub n}H{sub 2n−8} ( n = 6–10), and C{sub n}H{sub 2n−10} ( n = 6–10). Multiple laboratory studies have shown the facile production of ethylene from methane, which is a known ice constituent in the interstellar medium. Various astrophysically interesting molecules can be associated with the groups detected here, such as allene/methylacetylene (C{sub 3}H{sub 4}) or 1, 3-butadiene (C{sub 4}H{sub 6}) and its isomers, which have been shown to lead to polycyclic aromatic hydrocarbons. Finally, several hydrocarbon groups detected here are unique to ethylene ice versus ethane ice and may provide understanding of how complex hydrocarbons form in astrophysical

  4. Hydrocarbons on Phoebe, Iapetus, and Hyperion: Quantitative Analysis

    Science.gov (United States)

    Cruikshank, Dale P.; MoreauDalleOre, Cristina; Pendleton, Yvonne J.; Clark, Roger Nelson

    2012-01-01

    We present a quantitative analysis of the hydrocarbon spectral bands measured on three of Saturn's satellites, Phoebe, Iaperus, and Hyperion. These bands, measured with the Cassini Visible-Infrared Mapping Spectrometer on close fly-by's of these satellites, are the C-H stretching modes of aromatic hydrocarbons at approximately 3.28 micrometers (approximately 3050 per centimeter), and the are four blended bands of aliphatic -CH2- and -CH3 in the range approximately 3.36-3.52 micrometers (approximately 2980- 2840 per centimeter) bably indicating the presence of polycyclic aromatic hydrocarbons (PAH), is unusually strong in comparison to the aliphatic bands, resulting in a unique signarure among Solar System bodies measured so far, and as such offers a means of comparison among the three satellites. The ratio of the C-H bands in aromatic molecules to those in aliphatic molecules in the surface materials of Phoebe, NAro:NAliph approximately 24; for Hyperion the value is approximately 12, while laperus shows an intermediate value. In view of the trend of the evolution (dehydrogenation by heat and radiation) of aliphatic complexes toward more compact molecules and eventually to aromatics, the relative abundances of aliphatic -CH2- and -CH3- is an indication of the lengths of the molecular chain structures, hence the degree of modification of the original material. We derive CH2:CH3 approximately 2.2 in the spectrum of low-albedo material on laperus; this value is the same within measurement errors to the ratio in the diffuse interstellar medium. The similarity in the spectral signatures of the three satellites, plus the apparent weak trend of aromatic/aliphatic abundance from Phoebe to Hyperion, is consistent with, and effectively confirms that the source of the hydrocarbon-bearing material is Phoebe, and that the appearance of that material on the other two satellites arises from the deposition of the inward-spiraling dust that populates the Phoebe ring.

  5. On the need for a partial revision in the orbital assignments of cyclopropane (C3H6)

    International Nuclear Information System (INIS)

    Brunger, M.J.; Weigold, E.

    1993-09-01

    An electron momentum spectroscopy investigation was carried out into the orbital assignment for the two bands in the 15-18 eV binding energy range of the photoelectron spectrum of the saturated, 3-member ring hydrocarbon, cyclopropane (C 3 H 6 ). The present experimental momentum distributions for these states provide compelling evidence that the earlier hypothesis of Schweig and Thiel is correct. That is, the orbital assignments of these two bands are in fact opposite to the sequence of the respective ab initio eigenvalues. 11 refs., 2 figs

  6. Synthesis of a basket-shaped C56H38 hydrocarbon as a precursor toward an end-cap template for carbon [6,6]nanotubes.

    Science.gov (United States)

    Cui, Hu; Akhmedov, Novruz G; Petersen, Jeffrey L; Wang, Kung K

    2010-03-19

    A basket-shaped C(56)H(38) hydrocarbon (3) possessing a 30-carbon difluorenonaphthacenyl core that can be mapped onto the surface of C(78) was synthesized from 4-bromo-1-indanone. The first stage of the synthesis involved the preparation of tetraketone 10 as a key intermediate. The use of cascade cyclization reactions of benzannulated enyne-allenes as key features in the next stage of the synthetic sequence provides an efficient route to 3 from 4-bromo-1-indanone in 12 steps. The all-cis relationship among the methyl groups and the methine hydrogens causes the two benzofluorenyl units in 3 to be in an essentially perpendicular orientation to each other. Hydrocarbon 3 and its derivatives could serve as attractive precursors leading to a geodesic C(68)H(26) end-cap template for carbon [6,6]nanotubes.

  7. Influence of LaSiOx passivation interlayer on band alignment between PEALD-Al2O3 and 4H-SiC determined by X-ray photoelectron spectroscopy

    Science.gov (United States)

    Wang, Qian; Cheng, Xinhong; Zheng, Li; Shen, Lingyan; Zhang, Dongliang; Gu, Ziyue; Qian, Ru; Cao, Duo; Yu, Yuehui

    2018-01-01

    The influence of lanthanum silicate (LaSiOx) passivation interlayer on the band alignment between plasma enhanced atomic layer deposition (PEALD)-Al2O3 films and 4H-SiC was investigated by high resolution X-ray photoelectron spectroscopy (XPS). An ultrathin in situ LaSiOx interfacial passivation layer (IPL) was introduced between the Al2O3 gate dielectric and the 4H-SiC substrate to enhance the interfacial characteristics. The valence band offset (VBO) and corresponding conduction band offset (CBO) for the Al2O3/4H-SiC interface without any passivation were extracted to be 2.16 eV and 1.49 eV, respectively. With a LaSiOx IPL, a VBO of 1.79 eV and a CBO of 1.86 eV could be obtained across the Al2O3/4H-SiC interface. The difference in the band alignments was dominated by the band bending or band shift in the 4H-SiC substrate as a result of different interfacial layers (ILs) formed at the interface. This understanding of the physical details of the band alignment could be a good foundation for Al2O3/LaSiOx/4H-SiC heterojunctions applied in the 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  8. Advanced TiC/a-C : H nanocomposite coatings deposited by magnetron sputtering

    NARCIS (Netherlands)

    Pei, Y.T.; Galvan, D.; Hosson, J.Th.M. De; Strondl, C.

    2006-01-01

    TiC/a-C:H nanocomposite coatings have been deposited by magnetron Sputtering. They consist of 2-5 nm TiC nanocrystallites embedded in the amorphous hydrocarbon (a-C:H) matrix. A transition from a Columnar to a glassy microstructure has been observed in the nanocomposite coatings with increasing

  9. A bonding study of c-C5H8 adsorption on Pt(111)

    International Nuclear Information System (INIS)

    Simonetti, S.; Jasen, P.; Gonzalez, E.; Juan, A.; Brizuela, G.

    2006-01-01

    The chemisorption of cyclopentane (c-C 5 H 8 ) on Pt(111) has been studied using a qualitative band-structure calculations in the framework of tight-binding implementation with the YAeHMOP package. We modeled the metal surface by a two-dimensional slab of finite thickness with an overlayer of c-C 5 H 8 , in a (3x3) di-σ geometry. The c-C 5 H 8 molecule is attached to the surface with its C?C atoms bonded mainly with two Pt atoms while the opposite CH 2 bends towards the surface. The Pt?Pt bonds in the underlying surface and the C?C bonds of c-C 5 H 8 are weakened upon the chemisorption. A noticeable Pt-H and Pt-C interactions has been observed. We found that of Pt 5d z 2 band plays an important role in the bonding between c-C 5 H 8 and the surface, as do the Pt 6s and 6p z bands. The HOMO-LUMO bands of c-C 5 H 8 are very dispersed, indicative of a strong interaction with the metal surface

  10. The rate of the reaction between C2H and C2H2 at interstellar temperatures

    Science.gov (United States)

    Herbst, E.; Woon, D. E.

    1997-01-01

    The reaction between the radical C2H and the stable hydrocarbon C2H2 is one of the simplest neutral-neutral hydrocarbon reactions in chemical models of dense interstellar clouds and carbon-rich circumstellar shells. Although known to be rapid at temperatures > or = 300 K, the reaction has yet to be studied at lower temperatures. We present here ab initio calculations of the potential surface for this reaction and dynamical calculations to determine its rate at low temperature. Despite a small potential barrier in the exit channel, the calculated rate is large, showing that this reaction and, most probably, more complex analogs contribute to the formation of complex organic molecules in low-temperature sources.

  11. Electronic absorption spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon cations. I - The naphthalene cation (C10H8/+/)

    Science.gov (United States)

    Salama, F.; Allamandola, L. J.

    1991-01-01

    The ultraviolet, visible, and near-infrared absorption spectra of naphthalene (C10H8) and its radical ion (C10H8/+/), formed by vacuum ultraviolet irradiation, were measured in argon and neon matrices at 4.2 K. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing ion production in the solid phase. The absorption coefficients were calculated for the ion and found lower than previous values, presumably due to the low polarizability of the neon matrix.

  12. Interfacial chemistry and energy band alignment of TiAlO on 4H-SiC determined by X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Wang, Qian; Cheng, Xinhong; Zheng, Li; Ye, Peiyi; Li, Menglu; Shen, Lingyan; Li, Jingjie; Zhang, Dongliang; Gu, Ziyue; Yu, Yuehui

    2017-01-01

    Highlights: • Composite TiAlO rather than TiO_2-Al_2O_3 laminations is deposited on 4H-SiC by PEALD. • An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC. • TiAlO offers competitive barrier heights (>1 eV) for both electrons and holes. - Abstract: Intermixing of TiO_2 with Al_2O_3 to form TiAlO films on 4H-SiC is expected to simultaneously boost the dielectric constant and achieve sufficient conduction/valence band offsets (CBO/VBO) between dielectrics and 4H-SiC. In this work, a composite TiAlO film rather than TiO_2-Al_2O_3 laminations is deposited on 4H-SiC by plasma enhanced atomic layer deposition (PEALD). X-ray photoelectron spectroscopy (XPS) is performed to systematically analyze the interfacial chemistry and energy band alignment between TiAlO and 4H-SiC. An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC during PEALD process. The VBO and CBO between TiAlO and 4H-SiC are determined to be 1.45 eV and 1.10 eV, respectively, which offer competitive barrier heights (>1 eV) for both electrons and holes and make it suitable for the fabrication of 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  13. Interfacial chemistry and energy band alignment of TiAlO on 4H-SiC determined by X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qian [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Cheng, Xinhong, E-mail: xh_cheng@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); Zheng, Li, E-mail: zhengli@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Ye, Peiyi; Li, Menglu [Department of Materials Science and Engineering, University of California, Los Angeles, CA, 90095 (United States); Shen, Lingyan; Li, Jingjie; Zhang, Dongliang; Gu, Ziyue [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Yu, Yuehui [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Micro-System & Information Technology, Chinese Academy of Sciences, Changning Road 865, Shanghai 200050 (China)

    2017-07-01

    Highlights: • Composite TiAlO rather than TiO{sub 2}-Al{sub 2}O{sub 3} laminations is deposited on 4H-SiC by PEALD. • An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC. • TiAlO offers competitive barrier heights (>1 eV) for both electrons and holes. - Abstract: Intermixing of TiO{sub 2} with Al{sub 2}O{sub 3} to form TiAlO films on 4H-SiC is expected to simultaneously boost the dielectric constant and achieve sufficient conduction/valence band offsets (CBO/VBO) between dielectrics and 4H-SiC. In this work, a composite TiAlO film rather than TiO{sub 2}-Al{sub 2}O{sub 3} laminations is deposited on 4H-SiC by plasma enhanced atomic layer deposition (PEALD). X-ray photoelectron spectroscopy (XPS) is performed to systematically analyze the interfacial chemistry and energy band alignment between TiAlO and 4H-SiC. An interfacial layer composed of Ti, Si, O and C forms between TiAlO and 4H-SiC during PEALD process. The VBO and CBO between TiAlO and 4H-SiC are determined to be 1.45 eV and 1.10 eV, respectively, which offer competitive barrier heights (>1 eV) for both electrons and holes and make it suitable for the fabrication of 4H-SiC metal-oxide-semiconductor field effect transistors (MOSFETs).

  14. THE STRUCTURE, ORIGIN, AND EVOLUTION OF INTERSTELLAR HYDROCARBON GRAINS

    Energy Technology Data Exchange (ETDEWEB)

    Chiar, J. E.; Ricca, A. [SETI Institute, Carl Sagan Center, 189 Bernardo Avenue, Mountain View, CA 94043 (United States); Tielens, A. G. G. M. [Leiden Observatory, P.O. Box 9513, NL-2300 RA Leiden (Netherlands); Adamson, A. J., E-mail: jchiar@seti.org, E-mail: Alessandra.Ricca@1.nasa.gov, E-mail: tielens@strw.leidenuniv.nl, E-mail: aadamson@gemini.edu [Gemini Observatory, Northern Operations Center, 670 North A' ohoku Place, Hilo, HI 96729 (United States)

    2013-06-10

    Many materials have been considered for the carrier of the hydrocarbon absorption bands observed in the diffuse interstellar medium (ISM). In order to refine the model for ISM hydrocarbon grains, we analyze the observed aromatic (3.28, 6.2 {mu}m) and aliphatic (3.4 {mu}m) hydrocarbon absorption features in the diffuse ISM along the line of sight toward the Galactic center Quintuplet Cluster. Observationally, sp {sup 2} bonds can be measured in astronomical spectra using the 6.2 {mu}m CC aromatic stretch feature, whereas the 3.4 {mu}m aliphatic feature can be used to quantify the fraction of sp {sup 3} bonds. The fractional abundance of these components allows us to place the Galactic diffuse ISM hydrocarbons on a ternary phase diagram. We conclude that the Galactic hydrocarbon dust has, on average, a low H/C ratio and sp {sup 3} content and is highly aromatic. We have placed the results of our analysis within the context of the evolution of carbon dust in the ISM. We argue that interstellar carbon dust consists of a large core of aromatic carbon surrounded by a thin mantle of hydrogenated amorphous carbon (a-C:H), a structure that is a natural consequence of the processing of stardust grains in the ISM.

  15. THE STRUCTURE, ORIGIN, AND EVOLUTION OF INTERSTELLAR HYDROCARBON GRAINS

    International Nuclear Information System (INIS)

    Chiar, J. E.; Ricca, A.; Tielens, A. G. G. M.; Adamson, A. J.

    2013-01-01

    Many materials have been considered for the carrier of the hydrocarbon absorption bands observed in the diffuse interstellar medium (ISM). In order to refine the model for ISM hydrocarbon grains, we analyze the observed aromatic (3.28, 6.2 μm) and aliphatic (3.4 μm) hydrocarbon absorption features in the diffuse ISM along the line of sight toward the Galactic center Quintuplet Cluster. Observationally, sp 2 bonds can be measured in astronomical spectra using the 6.2 μm CC aromatic stretch feature, whereas the 3.4 μm aliphatic feature can be used to quantify the fraction of sp 3 bonds. The fractional abundance of these components allows us to place the Galactic diffuse ISM hydrocarbons on a ternary phase diagram. We conclude that the Galactic hydrocarbon dust has, on average, a low H/C ratio and sp 3 content and is highly aromatic. We have placed the results of our analysis within the context of the evolution of carbon dust in the ISM. We argue that interstellar carbon dust consists of a large core of aromatic carbon surrounded by a thin mantle of hydrogenated amorphous carbon (a-C:H), a structure that is a natural consequence of the processing of stardust grains in the ISM.

  16. Alkane Activation at Ambient Temperatures: Unusual Selectivities, C-C, C-H Bond Scission versus C-C Bond Coupling

    NARCIS (Netherlands)

    Trionfetti, C.; Agiral, A.; Gardeniers, Johannes G.E.; Lefferts, Leonardus; Seshan, Kulathuiyer

    2008-01-01

    Activating bonds: A cold plasma generated by dielectric barrier discharge in a microreactor converts alkanes (C1–C3) at atmospheric pressure. Large amounts of products with higher molecular weight than the starting hydrocarbons are observed showing that C-H activation at lower T favourably leads to

  17. An optical spectrum of a large isolated gas-phase PAH cation: C78H26+

    Science.gov (United States)

    Zhen, Junfeng; Mulas, Giacomo; Bonnamy, Anthony; Joblin, Christine

    2016-01-01

    A gas-phase optical spectrum of a large polycyclic aromatic hydrocarbon (PAH) cation - C78H26+- in the 410-610 nm range is presented. This large all-benzenoid PAH should be large enough to be stable with respect to photodissociation in the harsh conditions prevailing in the interstellar medium (ISM). The spectrum is obtained via multi-photon dissociation (MPD) spectroscopy of cationic C78H26 stored in the Fourier Transform Ion Cyclotron Resonance (FT-ICR) cell using the radiation from a mid-band optical parametric oscillator (OPO) laser. The experimental spectrum shows two main absorption peaks at 431 nm and 516 nm, in good agreement with a theoretical spectrum computed via time-dependent density functional theory (TD-DFT). DFT calculations indicate that the equilibrium geometry, with the absolute minimum energy, is of lowered, nonplanar C2 symmetry instead of the more symmetric planar D2h symmetry that is usually the minimum for similar PAHs of smaller size. This kind of slightly broken symmetry could produce some of the fine structure observed in some diffuse interstellar bands (DIBs). It can also favor the folding of C78H26+ fragments and ultimately the formation of fullerenes. This study opens up the possibility to identify the most promising candidates for DIBs amongst large cationic PAHs. PMID:26942230

  18. THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

    International Nuclear Information System (INIS)

    Bauschlicher, Charles W. Jr.; Ricca, Alessandra

    2013-01-01

    The loss of one hydrogen from C 96 H 24 does not significantly affect the infrared spectra of the neutral, cation, or anion. Excluding a very weak C-C stretching band at 5.1 μm, the loss of two adjacent duo hydrogens does not significantly affect the spectra compared with the parent. Removing all of the hydrogen atoms significantly increases the intensity of the new C-C stretching band, and, for the cation, shifts it to a longer (5.2 μm) wavelength. Observations show a feature near 5.25 μm, which has been attributed to overtone and combination bands from polycyclic aromatic hydrocarbons (PAHs). This current work suggests that dehydrogenated PAHs might also contribute to this band, but its weakness implies that fully dehydrogenated cationic or dicationic species are very rare

  19. Direct approaches to nitriles via highly efficient nitrogenation strategy through C-H or C-C bond cleavage.

    Science.gov (United States)

    Wang, Teng; Jiao, Ning

    2014-04-15

    Because of the importance of nitrogen-containing compounds in chemistry and biology, organic chemists have long focused on the development of novel methodologies for their synthesis. For example, nitrogen-containing compounds show up within functional materials, as top-selling drugs, and as bioactive molecules. To synthesize these compounds in a green and sustainable way, researchers have focused on the direct functionalization of hydrocarbons via C-H or C-C bond cleavage. Although researchers have made significant progress in the direct functionalization of simple hydrocarbons, direct C-N bond formation via C-H or C-C bond cleavage remains challenging, in part because of the unstable character of some N-nucleophiles under oxidative conditions. The nitriles are versatile building blocks and precursors in organic synthesis. Recently, chemists have achieved the direct C-H cyanation with toxic cyanide salts in the presence of stoichiometric metal oxidants. In this Account, we describe recent progress made by our group in nitrile synthesis. C-H or C-C bond cleavage is a key process in our strategy, and azides or DMF serve as the nitrogen source. In these reactions, we successfully realized direct nitrile synthesis using a variety of hydrocarbon groups as nitrile precursors, including methyl, alkenyl, and alkynyl groups. We could carry out C(sp(3))-H functionalization on benzylic, allylic, and propargylic C-H bonds to produce diverse valuable synthetic nitriles. Mild oxidation of C═C double-bonds and C≡C triple-bonds also produced nitriles. The incorporation of nitrogen within the carbon skeleton typically involved the participation of azide reagents. Although some mechanistic details remain unclear, studies of these nitrogenation reactions implicate the involvement of a cation or radical intermediate, and an oxidative rearrangement of azide intermediate produced the nitrile. We also explored environmentally friendly oxidants, such as molecular oxygen, to make our

  20. Ethane in Planetary and Cometary Atmospheres: Transmittance and Fluorescence Models of the nu7 Band at 3.3 Micrometers

    Science.gov (United States)

    Villanueva, G. L.; Mumma, M. J.; Magee-Sauer, K.

    2011-01-01

    Ethane and other hydrocarbon gases have strong rovibrational transitions in the 3.3 micron spectral region owing to C-H, CH2, and CH3 vibrational modes, making this spectral region prime for searching possible biomarker gases in extraterrestrial atmospheres (e.g., Mars, exoplanets) and organic molecules in comets. However, removing ethane spectral signatures from high-resolution terrestrial transmittance spectra has been imperfect because existing quantum mechanical models have been unable to reproduce the observed spectra with sufficient accuracy. To redress this problem, we constructed a line-by-line model for the n7 band of ethane (C2H6) and applied it to compute telluric transmittances and cometary fluorescence efficiencies. Our model considers accurate spectral parameters, vibration-rotation interactions, and a functional characterization of the torsional hot band. We integrated the new band model into an advanced radiative transfer code for synthesizing the terrestrial atmosphere (LBLRTM), achieving excellent agreement with transmittance data recorded against Mars using three different instruments located in the Northern and Southern hemispheres. The retrieved ethane abundances demonstrate the strong hemispheric asymmetry noted in prior surveys of volatile hydrocarbons. We also retrieved sensitive limits for the abundance of ethane on Mars. The most critical validation of the model was obtained by comparing simulations of C2H6 fluorescent emission with spectra of three hydrocarbon-rich comets: C/2004 Q2 (Machholz), 8P/Tuttle, and C/2007 W1 (Boattini). The new model accurately describes the complex emission morphology of the nu7 band at low rotational temperatures and greatly increases the confidence of the retrieved production rates (and rotational temperatures) with respect to previously available fluorescence models.

  1. Advanced TiC/a-C: H nanocomposite coatings deposited by magnetron sputtering

    OpenAIRE

    Pei, Y.T.; Galvan, D.; Hosson, J.Th.M. De; Strondl, C.

    2006-01-01

    TiC/a-C:H nanocomposite coatings have been deposited by magnetron Sputtering. They consist of 2-5 nm TiC nanocrystallites embedded in the amorphous hydrocarbon (a-C:H) matrix. A transition from a Columnar to a glassy microstructure has been observed in the nanocomposite coatings with increasing substrate bias or carbon content. Micro-cracks induced by nanoindentation or wear tests readily propagate through the column boundaries whereas the coatings without a columnar inicrostructure exhibit s...

  2. THE INFRARED SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS WITH SOME OR ALL HYDROGEN ATOMS REMOVED

    Energy Technology Data Exchange (ETDEWEB)

    Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Ricca, Alessandra, E-mail: Charles.W.Bauschlicher@nasa.gov, E-mail: Alessandra.Ricca-1@nasa.gov [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Mountain View, CA 94043 (United States)

    2013-10-20

    The loss of one hydrogen from C{sub 96}H{sub 24} does not significantly affect the infrared spectra of the neutral, cation, or anion. Excluding a very weak C-C stretching band at 5.1 μm, the loss of two adjacent duo hydrogens does not significantly affect the spectra compared with the parent. Removing all of the hydrogen atoms significantly increases the intensity of the new C-C stretching band, and, for the cation, shifts it to a longer (5.2 μm) wavelength. Observations show a feature near 5.25 μm, which has been attributed to overtone and combination bands from polycyclic aromatic hydrocarbons (PAHs). This current work suggests that dehydrogenated PAHs might also contribute to this band, but its weakness implies that fully dehydrogenated cationic or dicationic species are very rare.

  3. Hydrocarbons on Saturn's satellites Iapetus and Phoebe

    Science.gov (United States)

    Cruikshank, D.P.; Wegryn, E.; Dalle, Ore C.M.; Brown, R.H.; Bibring, J.-P.; Buratti, B.J.; Clark, R.N.; McCord, T.B.; Nicholson, P.D.; Pendleton, Y.J.; Owen, T.C.; Filacchione, G.; Coradini, A.; Cerroni, P.; Capaccioni, F.; Jaumann, R.; Nelson, R.M.; Baines, K.H.; Sotin, Christophe; Bellucci, G.; Combes, M.; Langevin, Y.; Sicardy, B.; Matson, D.L.; Formisano, V.; Drossart, P.; Mennella, V.

    2008-01-01

    Material of low geometric albedo (pV ??? 0.1) is found on many objects in the outer Solar System, but its distribution in the saturnian satellite system is of special interest because of its juxtaposition with high-albedo ice. In the absence of clear, diagnostic spectral features, the composition of this low-albedo (or "dark") material is generally inferred to be carbon-rich, but the form(s) of the carbon is unknown. Near-infrared spectra of the low-albedo hemisphere of Saturn's satellite Iapetus were obtained with the Visible-Infrared Mapping Spectrometer (VIMS) on the Cassini spacecraft at the fly-by of that satellite of 31 December 2004, yielding a maximum spatial resolution on the satellite's surface of ???65 km. The spectral region 3-3.6 ??m reveals a broad absorption band, centered at 3.29 ??m, and concentrated in a region comprising about 15% of the low-albedo surface area. This is identified as the C{single bond}H stretching mode vibration in polycyclic aromatic hydrocarbon (PAH) molecules. Two weaker bands attributed to {single bond}CH2{single bond} stretching modes in aliphatic hydrocarbons are found in association with the aromatic band. The bands most likely arise from aromatic and aliphatic units in complex macromolecular carbonaceous material with a kerogen- or coal-like structure, similar to that in carbonaceous meteorites. VIMS spectra of Phoebe, encountered by Cassini on 11 June 2004, also show the aromatic hydrocarbon band, although somewhat weaker than on Iapetus. The origin of the PAH molecular material on these two satellites is unknown, but PAHs are found in carbonaceous meteorites, cometary dust particles, circumstellar dust, and interstellar dust. ?? 2007 Elsevier Inc. All rights reserved.

  4. Hydrocarbons on Saturns Satellites: Relationship to Interstellar Dust and the Solar Nebula

    Science.gov (United States)

    Cruikshank, D. P.

    2012-01-01

    To understand the origin and evolution of our Solar System, and the basic components that led to life on Earth, we study interstellar and planetary spectroscopic signatures. The possible relationship of organic material detected in carbonaceous meteorites, interplanetary dust particles (IDPs), comets and the interstellar medium have been the source of speculation over the years as the composition and processes that governed the early solar nebula have been explored to understand the extent to which primitive material survived or became processed. The Cassini VIMS has provided new data relevant to this problem. Three of Saturn's satellites, Phoebe, Iapetus, and Hyperion, are found to have aromatic and aliphatic hydrocarbons on their surfaces. The aromatic hydrocarbon signature (C-H stretching mode at 3.28 micrometers) is proportionally significantly stronger (relative to the aliphatic bands) than that seen in other Solar System bodies (e.g., comets) and materials (Stardust samples, IDPs, meteorites) and the distinctive sub-features of the 3.4 micrometer aliphatic band (CH2 and CH3 groups) are reminiscent of those widely detected throughout the diffuse ISM. Phoebe may be a captured object that originated in the region beyond the present orbit of Neptune, where the solar nebula contained a large fraction of original interstellar ice and dust that was less processed than material closer to the Sun. Debris from Phoebe now resident on Iapetus and Hyperion, as well as o Phoebe itself, thus presents a unique blend of hydrocarbons, amenable to comparisons with interstellar hydrocarbons and other Solar System materials. The dust ring surrounding Saturn, in which Phoebe is embedded, probably originated from a collision with Phoebe. Dust ring particles are the likely source of the organic-bearing materials, and perhaps the recently identified small particles of Fe detected on Saturn's satellites. Lab measurements of the absolute band strengths of representative aliphatic and

  5. The DSS-14 C-band exciter

    Science.gov (United States)

    Rowan, D. R.

    1989-01-01

    The development and implementation of a C-band exciter for use with the Block IV Receiver-Exciter Subsystem at Deep Space Station 14 (DSS-14) has been completed. The exciter supplements the standard capabilities of the Block IV system by providing a drive signal for the C-band transmitter while generating coherent translation frequencies for C-band (5-GHz) to S-band (2.2- to 2.3-GHz) Doppler extraction, C-band to L-band (1.6-GHz) zero delay measurements, and a level calibrated L-band test signal. Exciter functions are described, and a general explanation and description of the C-band uplink controller is presented.

  6. Experimental studies of collisions of excited Li(4p) atoms with C2H4, C2H6, C3H8 and theoretical interpretation of the Li-C2H4 system

    International Nuclear Information System (INIS)

    Semmineh, Natenael; Bililign, Solomon; Hagebaum-Reignier, Denis; Jeung, Gwang-Hi

    2009-01-01

    Collisions of excited Li(4p) states with C 2 H 4 , C 2 H 6 and C 3 H 8 are studied experimentally using far-wing scattering state spectroscopy techniques. High-level ab initio quantum mechanical studies of the Li-C 2 H 4 system are conducted to explain the results of the experiment for this system. The recent and present works indicate that knowledge of the internal structure of the perturber (C 2 H 4 , C 2 H 6 and C 3 H 8 ) is essential to fully understand the interaction between the metal and the hydrocarbon molecules. The ab initio calculation shows that the Li(4d) (with little probability under the experimental conditions) and the Li(4p) can be formed directly through the laser pumping. It also shows that the Li(4s) and Li(3d) states can be formed through an electronic diabatic coupling involving a radiationless process. However, the Li(3p), Li(3s) and Li(2p) states can only be formed through a secondary diabatic coupling which is a much less probable process than the primary one. The calculation limited to two C 2v sections of the potential energy surfaces (PESs) shows peculiar multi-state crossings that we have never seen in other lithium complexes we studied

  7. Reduced combustion mechanism for C1-C4 hydrocarbons and its application in computational fluid dynamics flare modeling.

    Science.gov (United States)

    Damodara, Vijaya; Chen, Daniel H; Lou, Helen H; Rasel, Kader M A; Richmond, Peyton; Wang, Anan; Li, Xianchang

    2017-05-01

    Emissions from flares constitute unburned hydrocarbons, carbon monoxide (CO), soot, and other partially burned and altered hydrocarbons along with carbon dioxide (CO 2 ) and water. Soot or visible smoke is of particular concern for flare operators/regulatory agencies. The goal of the study is to develop a computational fluid dynamics (CFD) model capable of predicting flare combustion efficiency (CE) and soot emission. Since detailed combustion mechanisms are too complicated for (CFD) application, a 50-species reduced mechanism, LU 3.0.1, was developed. LU 3.0.1 is capable of handling C 4 hydrocarbons and soot precursor species (C 2 H 2 , C 2 H 4 , C 6 H 6 ). The new reduced mechanism LU 3.0.1 was first validated against experimental performance indicators: laminar flame speed, adiabatic flame temperature, and ignition delay. Further, CFD simulations using LU 3.0.1 were run to predict soot emission and CE of air-assisted flare tests conducted in 2010 in Tulsa, Oklahoma, using ANSYS Fluent software. Results of non-premixed probability density function (PDF) model and eddy dissipation concept (EDC) model are discussed. It is also noteworthy that when used in conjunction with the EDC turbulence-chemistry model, LU 3.0.1 can reasonably predict volatile organic compound (VOC) emissions as well. A reduced combustion mechanism containing 50 C 1 -C 4 species and soot precursors has been developed and validated against experimental data. The combustion mechanism is then employed in the computational fluid dynamics (CFD) of modeling of soot emission and combustion efficiency (CE) of controlled flares for which experimental soot and CE data are available. The validated CFD modeling tools are useful for oil, gas, and chemical industries to comply with U.S. Environmental Protection Agency's (EPA) mandate to achieve smokeless flaring with a high CE.

  8. Selective transformation of syngas into gasoline-range hydrocarbons over mesoporous H-ZSM-5-supported cobalt nanoparticles.

    Science.gov (United States)

    Cheng, Kang; Zhang, Lei; Kang, Jincan; Peng, Xiaobo; Zhang, Qinghong; Wang, Ye

    2015-01-26

    Bifunctional Fischer-Tropsch (FT) catalysts that couple uniform-sized Co nanoparticles for CO hydrogenation and mesoporous zeolites for hydrocracking/isomerization reactions were found to be promising for the direct production of gasoline-range (C5-11 ) hydrocarbons from syngas. The Brønsted acidity results in hydrocracking/isomerization of the heavier hydrocarbons formed on Co nanoparticles, while the mesoporosity contributes to suppressing the formation of lighter (C1-4 ) hydrocarbons. The selectivity for C5-11 hydrocarbons could reach about 70 % with a ratio of isoparaffins to n-paraffins of approximately 2.3 over this catalyst, and the former is markedly higher than the maximum value (ca. 45 %) expected from the Anderson-Schulz-Flory distribution. By using n-hexadecane as a model compound, it was clarified that both the acidity and mesoporosity play key roles in controlling the hydrocracking reactions and thus contribute to the improved product selectivity in FT synthesis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Carbon stars with alpha-C:H emission

    Science.gov (United States)

    Gerbault, Florence; Goebel, John H.

    1989-01-01

    Many carbon stars in the IRS low resolution spectra (LRS) catalog were found which display emission spectra that compare favorable with the absorption spectrum of alpha-C:H. These stars have largely been classified as 4X in the LRS which has led to their interpretation by others in terms of displaying a mixture of the UIRF's 8.6 micron band and SiC at 11.5 microns. It was also found that many of these stars have a spectral upturn at 20+ microns which resembles the MgS band seen in carbon stars and planetary nebulae. It was concluded that this group of carbon stars will evolve into planetary nebulae like NGC 7027 and IC 418. In the presence of hard ultraviolet radiation the UIRF's will light up and be displayed as narrow emission bands on top of the broad alpha-C:H emission bands.

  10. Conversion of Methane to C2 Hydrocarbons and Hydrogen Using a Gliding Arc Reactor

    International Nuclear Information System (INIS)

    Hu Shuanghui; Wang Baowei; Lv Yijun; Yan Wenjuan

    2013-01-01

    Methane conversion has been studied using gliding arc plasma in the presence of argon. The process was conducted at atmospheric pressure and ambient temperature. The focus of this research was to develop a process of converting methane to C 2 hydrocarbons and hydrogen. The main parameters, including the CH 4 /Ar mole ratio, the CH 4 flow rate, the input voltage, and the minimum electrode gap, were varied to investigate their effects on methane conversion rate, product distribution, energy consumption, carbon deposit, and reaction stability. The specific energy requirement (SER) was used to express the energy utilization efficiency of the process and provided a practical guidance for optimizing reaction conditions for improving energy efficiency. It was found that the carbon deposition was not conducive to methane conversion, and the gliding arc plasma discharge reached a stable state twelve minutes later. Optimum conditions for methane conversion were suggested. The maximum methane conversion rate of 43.39% was obtained under the optimum conditions. Also, C 2 hydrocarbons selectivity, C 2 hydrocarbons yield, H 2 selectivity, H 2 yield and SER were 87.20%, 37.83%, 81.28%, 35.27%, and 2.09 MJ/mol, respectively.

  11. Investigating Superhydrogenated Polycyclic Aromatic Hydrocarbons as catalysts for Interstellar H2 formation

    DEFF Research Database (Denmark)

    Simonsen, Frederik Doktor Skødt

    2016-01-01

    Temperature programmed desorption has been used to investigate adsorption and abstraction of hydrogen atoms on the polycyclic aromatic hydrocarbon, coronene. The coronene molecules were exposed to different hydrogen fluences at a dosing temperature of 1000K. Large fluences of hydrogen leave...... large abundances, alongside H2[2]. To investigate the the abstraction and adsoption patterns of hydrogen/deuterium on coronene, C24H12 (a PAH), we used temperature programmed desorption (TPD). Coronene monolayers were prepared on graphite and exposed to different fluences of 1000 K H or D atoms...

  12. Band line-up determination at p- and n-type Al/4H-SiC Schottky interfaces using photoemission spectroscopy

    Science.gov (United States)

    Kohlscheen, J.; Emirov, Y. N.; Beerbom, M. M.; Wolan, J. T.; Saddow, S. E.; Chung, G.; MacMillan, M. F.; Schlaf, R.

    2003-09-01

    The band lineup of p- and n-type 4H-SiC/Al interfaces was determined using x-ray photoemission spectroscopy (XPS). Al was deposited in situ on ex situ cleaned SiC substrates in several steps starting at 1.2 Å up to 238 Å nominal film thickness. Before growth and after each growth step, the sample surface was characterized in situ by XPS. The analysis of the spectral shifts indicated that during the initial deposition stages the Al films react with the ambient surface contamination layer present on the samples after insertion into vacuum. At higher coverage metallic Al clusters are formed. The band lineups were determined from the analysis of the core level peak shifts and the positions of the valence bands maxima (VBM) depending on the Al overlayer thickness. Shifts of the Si 2p and C 1s XPS core levels occurred to higher (lower) binding energy for the p-(n-)type substrates, which was attributed to the occurrence of band bending due to Fermi-level equilibration at the interface. The hole injection barrier at the p-type interface was determined to be 1.83±0.1 eV, while the n-type interface revealed an electron injection barrier of 0.98±0.1 eV. Due to the weak features in the SiC valence bands measured by XPS, the VBM positions were determined using the Si 2p peak positions. This procedure required the determination of the Si 2p-to-VBM binding energy difference (99.34 eV), which was obtained from additional measurements.

  13. Chemical storage of renewable electricity in hydrocarbon fuels via H{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Eilers, H.; Iglesias Gonzalez, M.; Schaub, G. [Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany). Engler-Bunte-Institute I

    2012-07-01

    The increased generation of renewable electricity leads to an increasing demand for storage due to its fluctuating production. Electrical energy can be stored as chemical energy carriers e.g. in form of H{sub 2} that can be further processed to hydrocarbons. Storage in form of hydrocarbons is advantageous compared to H{sub 2} storage since (i) a higher volumetric energy density in the product can be achieved and (ii) the infrastructure for hydrocarbon distribution, storage and utilization already exists. The present contribution introduces the potential of H{sub 2} integration in upgrading/production processes to hydrocarbon fuels, based on stoichiometry and kind of carbon feedstock. Processes include petroleum refining, vegetable oil hydrogenation, production of synfuel from lignocellulosic biomass and substitute natural gas from H{sub 2}/CO{sub 2}. In the case of fossil raw materials, yields per feedstock can be increased and fossil CO{sub 2} emissions decreased since fossil resources for H{sub 2} production can be avoided. In the case of biomass conversion to synfuels, product yields per biomass/hectare can be increased. If CO{sub 2} is hydrogenated to fuels, no gasification step is needed, however lower hydrocarbon product yields per H{sub 2} are achieved since CO{sub 2} has the highest oxygen content. (orig.)

  14. H2 EJECTION FROM POLYCYCLIC AROMATIC HYDROCARBONS: INFRARED MULTIPHOTON DISSOCIATION STUDY OF PROTONATED ACENAPHTHENE AND 9,10-DIHYDROPHENANTHRENE

    International Nuclear Information System (INIS)

    Szczepanski, Jan; Vala, Martin T.; Oomens, Jos; Steill, Jeffrey D.

    2011-01-01

    The infrared multiple-photon dissociation (IRMPD) spectra of protonated acenaphthene ([ACN+H] + ) and 9,10-dihydrophenanthrene ([DHP+H] + ) have been recorded using an infrared free electron laser after the compounds were protonated by electrospray ionization and trapped in a Fourier transform ion cyclotron mass spectrometer. In both compounds, the loss of two mass units is predominant. Density functional calculations (B3LYP/6-311++G(d,p)) of the infrared spectra of all possible protonated isomers of each species showed that the observed IRMPD spectra are best fit to the isomer with the largest proton affinity and lowest relative electronic energy. Potential energy surfaces of the most stable isomers of [ACN+H] + and [DHP+H] + have been calculated for H and H 2 loss. The lowest energy barriers are for loss of H 2 , with predicted energies 4.28 and 4.15 eV, respectively. After H 2 ejection, the adjacent aliphatic hydrogens migrate to the bare ejection site and stabilize the remaining fragment. Single H loss may occur from [ACN+H] + but the energy required is higher. No single H loss is predicted from [DHP+H] + , only H migration around the carbon skeleton. The vibrational bands in the parent closed-shell protonated polycyclic aromatic hydrocarbons are compared to bands observed from the interstellar medium.

  15. 50 MW C-band pulse klystron; 50MW C band pulse klystron

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    C-band pulse klystron E3746 with an output of 50 MW class was developed jointly with the High-Energy Accelerator Research Organization in the Ministry of Education as the klystron for a linear accelerator. For a large-sized linear accelerator in the next generation, a klystron with higher operating frequency has been required to obtain a compact and efficient accelerator. In E3746, the problem of power resistance during high-frequency operation was solved by mounting a traveling-wave multi-cell output circuit. Moreover, stable operation in the pulse width of 2.5 {mu}s and the output of 54 MW was performed at the same operation efficiency (44%) as the conventional S-band tube by using the frequency (in a C-band frequency band) that is two times as high as the conventional general accelerator. (translated by NEDO)

  16. Influence of the pressure and power on the non-equilibrium plasma chemistry of C{sub 2}, C{sub 2}H, C{sub 2}H{sub 2}, CH{sub 3} and CH{sub 4} affecting the synthesis of nanodiamond thin films from C{sub 2}H{sub 2} (1%)/H{sub 2}/Ar-rich plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Gordillo-Vazquez, F J [Instituto de Optica, C.S.I.C., Serrano 121, 28006 Madrid (Spain); Albella, J M [Instituto de Materiales de Madrid, C.S.I.C., Cantoblanco, 28049 Madrid (Spain)

    2004-02-01

    We have used a kinetic model to investigate the influence of changing the pressure (0.1-0.8 Torr) and power (100-300 W) on the non-equilibrium plasma chemistry of RF (13.56 MHz) produced C{sub 2}H{sub 2} (1%)/H{sub 2}/Ar plasmas of interest for the synthesis of nanodiamond thin films. We found that the concentrations of the species C{sub 2}(X{sup 1}SIGMA{sup +}{sub g}), C{sub 2}(a{sup 3}PI{sub u}) and C{sub 2}H are not sensitive to variations in the power but they exhibit a significant increase when the pressure decreases at high argon content in the plasma. In addition, the concentrations of C{sub 2}H{sub 2}, CH{sub 4} and CH{sub 3} exhibit a slight (case of C{sub 2}H{sub 2}) or negligible (case of CH{sub 3} and CH{sub 4}) power-dependence although they decrease (case of C{sub 2}H{sub 2} and CH{sub 4}) or remain almost constant (case of CH{sub 3}) as the pressure decreases. A reasonable agreement is found when comparing the model predictions with available experimental results. These findings provide a basic understanding of the plasma chemistry of hydrocarbon/Ar-rich plasma environments and, at the same time, can be of interest to optimize the processing conditions of nanodiamond films from medium pressure RF hydrocarbon/Ar-rich plasmas.

  17. Formation of combustible hydrocarbons and H2 during photocatalytic decomposition of various organic compounds under aerated and deaerated conditions.

    Science.gov (United States)

    Mozia, Sylwia; Kułagowska, Aleksandra; Morawski, Antoni W

    2014-11-26

    A possibility of photocatalytic production of useful aliphatic hydrocarbons and H2 from various organic compounds, including acetic acid, methanol, ethanol and glucose, over Fe-modified TiO2 is discussed. In particular, the influence of the reaction atmosphere (N2, air) was investigated. Different gases were identified in the headspace volume of the reactor depending on the substrate. In general, the evolution of the gases was more effective in air compared to a N2 atmosphere. In the presence of air, the gaseous phase contained CO2, CH4 and H2, regardless of the substrate used. Moreover, formation of C2H6 and C3H8 in the case of acetic acid and C2H6 in the case of ethanol was observed. In case of acetic acid and methanol an increase in H2 evolution under aerated conditions was observed. It was concluded that the photocatalytic decomposition of organic compounds with simultaneous generation of combustible hydrocarbons and hydrogen could be a promising method of "green energy" production.

  18. Borylnitrenes: electrophilic reactive intermediates with high reactivity towards C-H bonds.

    Science.gov (United States)

    Bettinger, Holger F; Filthaus, Matthias

    2010-12-21

    Borylnitrenes (catBN 3a and pinBN 3b; cat = catecholato, pin = pinacolato) are reactive intermediates that show high tendency towards insertion into the C-H bonds of unactivated hydrocarbons. The present article summarizes the matrix isolation investigations that were aimed at identifying, characterizing and investigating the chemical behaviour of 3a by spectroscopic means, and of the experiments in solution and in the gas phase that were performed with 3b. Comparison with the reactivity reported for difluorovinylidene 1a in solid argon indicates that 3a shows by and large similar reactivity, but only after photochemical excitation. The derivative 3b inserts into the C-H bonds of hydrocarbon solvents in high yields and thus allows the formation of primary amines, secondary amines, or amides from "unreactive" hydrocarbons. It can also be used for generation of methylamine or methylamide from methane in the gas phase at room temperature. Remaining challenges in the chemistry of borylnitrenes are briefly summarized.

  19. The Production of Polycyclic Aromatic Hydrocarbon Anions in Inert Gas Matrices Doped with Alkali Metals. Electronic Absorption Spectra of the Pentacene Anion (C22H14(-))

    Science.gov (United States)

    Halasinski, Thomas M.; Hudgins, Douglas M.; Salama, Farid; Allamandola, Louis J.; Mead, Susan (Technical Monitor)

    1999-01-01

    The absorption spectra of pentacene (C22H14) and its radical cation (C22H14(+)) and anion (C22H14(-)) isolated in inert-gas matrices of Ne, Ar, and Kr are reported from the ultraviolet to the near-infrared. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing ion (and counterion) production in the solid matrix. In particular, the formation of isolated pentacene anions is found to be optimized in matrices doped with alkali metal (Na and K).

  20. Free radical hydrogen atom abstraction from saturated hydrocarbons: A crossed-molecular-beams study of the reaction Cl + C{sub 3}H{sub 8} {yields} HCl + C{sub 3}H{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Blank, D.A.; Hemmi, N.; Suits, A.G.; Lee, Y.T. [Lawrence Berkeley National Lab., CA (United States)

    1997-04-01

    The abstraction of hydrogen atoms from saturated hydrocarbons are reactions of fundamental importance in combustion as well as often being the rate limiting step in free radical substitution reactions. The authors have begun studying these reactions under single collision conditions using the crossed molecular beam technique on beamline 9.0.2.1, utilizing VUV undulator radiation to selectively ionize the scattered hydrocarbon free radical products (C{sub x}H{sub 2x+1}). The crossed molecular beam technique involves two reactant molecular beams fixed at 90{degrees}. The molecular beam sources are rotatable in the plane defined by the two beams. The scattered neutral products travel 12.0 cm where they are photoionized using the VUV undulator radiation, mass selected, and counted as a function of time. In the authors initial investigations they are using halogen atoms as protypical free radicals to abstract hydrogen atoms from small alkanes. Their first study has been looking at the reaction of Cl + propane {r_arrow} HCl + propyl radical. In their preliminary efforts the authors have measured the laboratory scattering angular distribution and time of flight spectra for the propyl radical products at collision energies of 9.6 kcal/mol and 14.9 kcal/mol.

  1. Origin of the Ability of α-Fe2 O3 Mesopores to Activate C-H Bonds in Methane.

    Science.gov (United States)

    Dong, Bing; Han, Zhen; Zhang, Yongbo; Yu, Youyi; Kong, Aiguo; Shan, Yongkui

    2016-02-01

    Methane is a most abundant and inexpensive hydrocarbon feedstock for the production of chemicals and fuels. However, it is extremely difficult to directly convert methane to higher hydrocarbons because the C-H bonds in methane are the most stable C-H bonds of all hydrocarbons. The activation of the C-H bonds in methane by using an efficient and mild route remains a daunting challenge. Here, we show that the inner surface structures of the pore walls in mesoporous α-Fe 2 O 3 possess excellent catalytic performance for methane activation and convert C-H bonds into the C-O bonds in an O 2 atmosphere at 140 °C. We found that such unusual structures are mainly comprised of turbostratic ribbons and K crystal faces and have higher catalytic activity than the (110) plane. These results are without precedent in the history of catalysis chemistry and will provide a new pathway for designing and preparing highly efficient catalytic materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Experimental investigation of slow-positron emission from 4H-SiC and 6H-SiC surfaces

    International Nuclear Information System (INIS)

    Ling, C.C.; Beling, C.D.; Fung, S.; Weng, H.M.

    2002-01-01

    Slow-positron emission from the surfaces of as-grown n-type 4H-SiC and 6H-SiC (silicon carbide) with a conversion efficiency of ∼10 -4 has been observed. After 30 min of 1000 deg. C annealing in forming gas, the conversion efficiency of the n-type 6H-SiC sample was observed to be enhanced by 75% to 1.9x10 -4 , but it then dropped to ∼10 -5 upon a further 30 min annealing at 1400 deg. C. The positron work function of the n-type 6H-SiC was found to increase by 29% upon 1000 deg. C annealing. For both p-type 4H-SiC and p-type 6H-SiC materials, the conversion efficiency was of the order of ∼10 -5 , some ten times lower than that for the n-type materials. This was attributed to the band bending at the p-type material surface which caused positrons to drift away from the positron emitting surface. (author)

  3. Characterization of a n+3C/n−4H SiC heterojunction diode

    Energy Technology Data Exchange (ETDEWEB)

    Minamisawa, R. A.; Mihaila, A. [Department of Power Electronics, ABB Corporate Research Center, CH-5405 Baden-Dättwil (Switzerland); Farkas, I.; Hsu, C.-W.; Janzén, E. [Semiconductor Materials, IFM, Linköping University, SE-58183 Linköping (Sweden); Teodorescu, V. S. [National Institute of Material Physics, R-077125 Bucharest-Măgurele (Romania); Afanas' ev, V. V. [Semiconductor Physics Laboratory, KU Leuven, 3001 Leuven (Belgium); Rahimo, M. [ABB Semiconductors, Fabrikstrasse 3, CH-5600 Lenzburg (Switzerland)

    2016-04-04

    We report on the fabrication of n + 3C/n-4H SiC heterojunction diodes (HJDs) potentially promising the ultimate thermal stability of the junction. The diodes were systematically analyzed by TEM, X-ray diffraction, AFM, and secondary ion mass spectroscopy, indicating the formation of epitaxial 3C-SiC crystal on top of 4H-SiC substrate with continuous interface, low surface roughness, and up to ∼7 × 10{sup 17 }cm{sup −3} dopant impurity concentration. The conduction band off-set is about 1 V as extracted from CV measurements, while the valence bands of both SiC polytypes are aligned. The HJDs feature opening voltage of 1.65 V, consistent with the barrier height of about 1.5 eV extracted from CV measurement. We finally compare the electrical results of the n + 3C/n-4H SiC heterojunction diodes with those featuring Si and Ge doped anodes in order to evaluate current challenges involved in the fabrication of such devices.

  4. Identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons in a complex mixture of polycyclic aromatic hydrocarbons from coal tar.

    Science.gov (United States)

    Oña-Ruales, Jorge O; Ruiz-Morales, Yosadara; Wise, Stephen A

    2016-04-15

    A methodology for the characterization of groups of polycyclic aromatic hydrocarbons (PAHs) using a combination of normal phase liquid chromatography with ultraviolet-visible spectroscopy (NPLC/UV-vis) and gas chromatography with mass spectrometry (GC/MS) was used for the identification and quantification of seven fused aromatic rings C26H14 peri-condensed benzenoid polycyclic aromatic hydrocarbons, PAHs, in standard reference material (SRM) 1597a, complex mixture of PAHs from coal tar. The NPLC/UV-vis isolated the fractions based on the number of aromatic carbons and the GC/MS allowed the identification and quantification of five of the nine C26H14 PAH isomers; naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene using a retention time comparison with authentic reference standards. For the other four benzenoid isomers with no available reference standards the following two approaches were used. First, the annellation theory was used to achieve the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene, and second, the elution distribution in the GC fractions was used to support the potential identification of benzo[qr]naphtho[3,2,1,8-defg]chrysene and to reach the tentative identifications of dibenzo[a,ghi]perylene, naphtho[7,8,1,2,3-pqrst]pentaphene, and anthra[2,1,9,8-opqra]naphthacene. It is the first time that naphtho[1,2,3,4-ghi]perylene, dibenzo[b,ghi]perylene, dibenzo[b,pqr]perylene, naphtho[8,1,2-bcd]perylene, and dibenzo[cd,lm]perylene are quantified, and the first time that benzo[qr]naphtho[3,2,1,8-defg]chrysene is potentially identified, in any sample, in any context. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jones, G

    2011-08-18

    Using density functional theory calculations we show that the adsorption energies for C{sub 2}H{sub x}-type adsorbates on transition metal surfaces scale with each other according to a simple bond order conservation model. This observation generalizes some recently recognized adsorption energy scaling laws for AH{sub x}-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure transition metal catalysts. Comparison with the corresponding full density functional theory calculations shows excellent agreement.

  6. Thermodynamic functions of hydration of hydrocarbons at 298.15 K and 0.1 MPa

    Science.gov (United States)

    Plyasunov, Andrey V.; Shock, Everett L.

    2000-02-01

    An extensive compilation of experimental data yielding the infinite dilution partial molar Gibbs energy of hydration Δ hGO, enthalpy of hydration Δ hHO, heat capacity of hydration Δ hCpO, and volume V2O, at the reference temperature and pressure, 298.15 K and 0.1 MPa, is presented for hydrocarbons (excluding polyaromatic compounds) and monohydric alcohols. These results are used in a least-squares procedure to determine the numerical values of the corresponding properties of the selected functional groups. The simple first order group contribution method, which in general ignores nearest-neighbors and steric hindrance effects, was chosen to represent the compiled data. Following the precedent established by Cabani et al. (1981), the following groups are considered: CH 3, CH 2, CH, C for saturated hydrocarbons; c-CH 2, c-CH, c-C for cyclic saturated hydrocarbons; CH ar, C ar for aromatic hydrocarbons (containing the benzene ring); C=C, C≡C for double and triple bonds in linear hydrocarbons, respectively; c-C=C for the double bond in cyclic hydrocarbons; H for a hydrogen atom attached to the double bond (both in linear and cyclic hydrocarbons) or triple bond; and OH for the hydroxyl functional group. In addition it was found necessary to include the "pseudo"-group I(C-C) to account for the specific interactions of the neighboring hydrocarbon groups attached to the benzene or cyclic ring (in the latter case only for cis-isomers). Results of this study, the numerical values of the group contributions, will allow in most cases reasonably accurate estimations of Δ hGO, Δ hHO, Δ hCpO, and V2O at 298.15 K, 0.1 MPa for many hydrocarbons involved in geochemical and environmental processes.

  7. Comparative Shock-Tube Study of Autoignition and Plasma-Assisted Ignition of C2-Hydrocarbons

    Science.gov (United States)

    Kosarev, Ilya; Kindysheva, Svetlana; Plastinin, Eugeny; Aleksandrov, Nikolay; Starikovskiy, Andrey

    2015-09-01

    The dynamics of pulsed picosecond and nanosecond discharge development in liquid water, ethanol and hexane Using a shock tube with a discharge cell, ignition delay time was measured in a lean (φ = 0.5) C2H6:O2:Ar mixture and in lean (φ = 0.5) and stoichiometric C2H4:O2:Ar mixtures with a high-voltage nanosecond discharge and without it. The measured results were compared with the measurements made previously with the same setup for C2H6-, C2H5OH- and C2H2-containing mixtures. It was shown that the effect of plasma on ignition is almost the same for C2H6, C2H4 and C2H5OH. The reduction in time is smaller for C2H2, the fuel that is well ignited even without the discharge. Autoignition delay time was independent of the stoichiometric ratio for C2H6 and C2H4, whereas this time in stoichiometric C2H2- and C2H5OH-containing mixtures was noticeably shorter than that in the lean mixtures. Ignition after the discharge was not affected by a change in the stoichiometric ratio for C2H2 and C2H4, whereas the plasma-assisted ignition delay time for C2H6 and C2H5OH decreased as the equivalence ratio changed from 1 to 0.5. Ignition delay time was calculated in C2-hydrocarbon-containing mixtures under study by simulating separately discharge and ignition processes. Good agreement was obtained between new measurements and calculated ignition delay times.

  8. Geometry and bonding in the ground and lowest triplet state of D{sub 6h} symmetric crenellated edged C{sub 6[3m(m-1)+1]}H{sub 6(2m-1)} (m = 2,..., 6) graphene hydrocarbon molecules

    Energy Technology Data Exchange (ETDEWEB)

    Philpott, Michael R., E-mail: philpott@imr.edu [Center for Computational Materials Science, Institute of Materials Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, 980-8577 Sendai (Japan); Kawazoe, Yoshiyuki [Center for Computational Materials Science, Institute of Materials Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, 980-8577 Sendai (Japan)

    2009-03-30

    Ab initio plane wave all valence electron based DFT calculations were used to explore the dichotomy of perimeter vs. interior in the electronic and geometric structure of the D{sub 6h} singlet ground state and D{sub 2h} lowest triplet state of planar graphene hydrocarbon molecules with crenellated (arm chair) edges and the general formula C{sub 6[3m(m-1)+1]} H{sub 6(2m-1)} where m = 2,...,6. The largest molecule C{sub 546}H{sub 66} was 4.78 nm across and contained 2250 valence electrons. These molecules are nominally 'fully benzenoid hydrocarbons'. However with increasing size, the core of central atoms abandoned any fully benzenoid geometry they had in small systems and organized into single layer graphite (graphene) structure. The perimeter atoms of the crenellation adopted a conjugated geometry with unequal bonds and between core and perimeter there were some C{sub 6} rings retaining remnants of aromatic sextet-type properties. Compared to a zigzag edge the crenellated edge conferred stability in all the systems studied as measured by the singlet homo-lumo level gap BG{sub 0} and the singlet-lowest triplet energy gap {Delta}E{sub ST}. For the largest crenellated system (m = 6) BG{sub 0} and {Delta}E{sub ST} were approximately 0.7 eV, larger in value than for similarly sized hexagonal graphenes with zigzag edges. Triplet states were identified for all the molecules in the series and in the case of the m = 2 molecule hexabenzocoronene C{sub 42}H{sub 18}, two conformations with D{sub 2h} symmetry were identified and compared to features on the triplet state potential energy surface of benzene.

  9. Biodegradation of petroleum hydrocarbons in seawater at low temperatures (0-5 degrees C) and bacterial communities associated with degradation.

    Science.gov (United States)

    Brakstad, Odd G; Bonaunet, Kristin

    2006-02-01

    In this study biodegradation of hydrocarbons in thin oil films was investigated in seawater at low temperatures, 0 and 5 degrees C. Heterotrophic (HM) or oil-degrading (ODM) microorganisms enriched at the two temperatures showed 16S rRNA sequence similarities to several bacteria of Arctic or Antarctic origin. Biodegradation experiments were conducted with a crude mineral oil immobilized as thin films on hydrophobic Fluortex adsorbents in nutrient-enriched or sterile seawater. Chemical and respirometric analysis of hydrocarbon depletion showed that naphthalene and other small aromatic hydrocarbons (HCs) were primarily biodegraded after dissolution to the water phase, while biodegradation of larger polyaromatic hydrocarbons (PAH) and C(10)-C(36) n-alkanes, including n-hexadecane, was associated primarily with the oil films. Biodegradation of PAH and n-alkanes was significant at both 0 and 5 degrees C, but was decreased for several compounds at the lower temperature. n-Hexadecane biodegradation at the two temperatures was comparable at the end of the experiments, but was delayed at 0 degree C. Investigations of bacterial communities in seawater and on adsorbents by PCR amplification of 16S rRNA gene fragments and DGGE analysis indicated that predominant bacteria in the seawater gradually adhered to the oil-coated adsorbents during biodegradation at both temperatures. Sequence analysis of most DGGE bands aligned to members of the phyla Proteobacteria (Gammaproteobacteria) or Bacteroidetes. Most sequences from experiments at 0 degree C revealed affiliations to members of Arctic or Antarctic consortia, while no such homology was detected for sequences from degradation experiment run at 5 degrees C. In conclusion, marine microbial communities from cold seawater have potentials for oil film HC degradation at temperatures < or =5 degrees C, and psychrotrophic or psychrophilic bacteria may play an important role during oil HC biodegradation in seawater close to freezing

  10. Conduction-band valley spin splitting in single-layer H-T l2O

    Science.gov (United States)

    Ma, Yandong; Kou, Liangzhi; Du, Aijun; Huang, Baibiao; Dai, Ying; Heine, Thomas

    2018-02-01

    Despite numerous studies, coupled spin and valley physics is currently limited to two-dimensional (2D) transition-metal dichalcogenides (TMDCs). Here, we predict an exceptional 2D valleytronic material associated with the spin-valley coupling phenomena beyond 2D TMDCs—single-layer (SL) H-T l2O . It displays large valley spin splitting (VSS), significantly larger than that of 2D TMDCs, and a finite band gap, which are both critically attractive for the integration of valleytronics and spintronics. More importantly, in sharp contrast to all the experimentally confirmed 2D valleytronic materials, where the strong valence-band VSS (0.15-0.46 eV) supports the spin-valley coupling, the VSS in SL H-T l2O is pronounced in its conduction band (0.61 eV), but negligibly small in its valence band (21 meV), thus opening a way for manipulating the coupled spin and valley physics. Moreover, SL H-T l2O possesses extremely high carrier mobility, as large as 9.8 ×103c m2V-1s-1 .

  11. Plasma-deposited a-C(N) H films

    CERN Document Server

    Franceschini, D E

    2000-01-01

    The growth behaviour, film structure and mechanical properties of plasma-deposited amorphous hydrogenated carbon-nitrogen films are shortly reviewed. The effect of nitrogen-containing gas addition to the deposition to the hydrocarbon atmospheres used is discussed, considering the modifications observed in the chemical composition growth kinetics, carbon atom hybridisation and chemical bonding arrangements of a-C(N):H films. The overall structure behaviour is correlated to the variation of the mechanical properties.

  12. The Rate Constant for the Reaction H + C2H5 at T = 295 - 150K

    Science.gov (United States)

    Pimentel, Andre S.; Payne, Walter A.; Nesbitt, Fred L.; Cody, Regina J.; Stief, Louis J.

    2004-01-01

    The reaction between the hydrogen atom and the ethyl (C2H3) radical is predicted by photochemical modeling to be the most important loss process for C2H5 radicals in the atmospheres of Jupiter and Saturn. This reaction is also one of the major sources for the methyl radicals in these atmospheres. These two simplest hydrocarbon radicals are the initial species for the synthesis of larger hydrocarbons. Previous measurements of the rate constant for the H + C2H5 reaction varied by a factor of five at room temperature, and some studies showed a dependence upon temperature while others showed no such dependence. In addition, the previous studies were at higher temperatures and generally higher pressures than that needed for use in planetary atmospheric models. The rate constant for the reaction H + C2H5 has been measured directly at T = 150, 202 and 295 K and at P = 1.0 Torr He for all temperatures and additionally at P = 0.5 and 2.0 Torr He at T = 202 K. The measurements were performed in a discharge - fast flow system. The decay of the C2H5 radical in the presence of excess hydrogen was monitored by low-energy electron impact mass spectrometry under pseudo-first order conditions. H atoms and C2H5 radicals were generated rapidly and simultaneously by the reaction of fluorine atoms with H2 and C2H6, respectively. The total rate constant was found to be temperature and pressure independent. The measured total rate constant at each temperature are: k(sub 1)(295K) = (1.02+/-0.24)x10(exp -10), k(sub 1)(202K) = (1.02+/-0.22)x10(exp -10) and k(sub 1)(150K) = (0.93+/-0.21)x10(exp -10), all in units of cu cm/molecule/s. The total rate constant derived from all the combined measurements is k(sub 1) = (l.03+/-0.17)x10(exp -10) cu cm/molecule/s. At room temperature our results are about a factor of two higher than the recommended rate constant and a factor of three lower than the most recently published study.

  13. Analytical system for stable carbon isotope measurements of low molecular weight (C2-C6 hydrocarbons

    Directory of Open Access Journals (Sweden)

    T. Röckmann

    2011-06-01

    Full Text Available We present setup, testing and initial results from a new automated system for stable carbon isotope ratio measurements on C2 to C6 atmospheric hydrocarbons. The inlet system allows analysis of trace gases from air samples ranging from a few liters for urban samples and samples with high mixing ratios, to many tens of liters for samples from remote unpolluted regions with very low mixing ratios. The centerpiece of the sample preparation is the separation trap, which is used to separate CO2 and methane from the compounds of interest. The main features of the system are (i the capability to sample up to 300 l of air, (ii long term (since May 2009 operational δ13C accuracy levels in the range 0.3–0.8 ‰ (1-σ, and (iii detection limits of order 1.5–2.5 ngC (collected amount of substance for all reported compounds. The first application of this system was the analysis of 21 ambient air samples taken during 48 h in August 2009 in Utrecht, the Netherlands. Results obtained are generally in good agreement with those from similar urban ambient air studies. Short sample intervals allowed by the design of the instrument help to illustrate the complex diurnal behavior of hydrocarbons in an urban environment, where diverse sources, dynamical processes, and chemical reactions are present.

  14. C2-C5 hydrocarbon measurements in the Netherlands 1981-1991

    NARCIS (Netherlands)

    Roemer, M.; Builtjes, P.; Esser, P.; Guicherit, R.; Thijsse, T.

    1999-01-01

    Measurements of C2-C5 hydrocarbons on an hourly basis at the TNO site in Delft from 1982 to 1984 and at Moerdijk over the period 1981-1991 are presented. In combination with meteorological data (wind direction and wind speed) the Delft and Moerdijk series are evaluated to identify source categories,

  15. Near-infrared emission bands of TeH and TeD

    Science.gov (United States)

    Fink, E. H.; Setzer, K. D.; Ramsay, D. A.; Vervloet, M.

    1989-11-01

    High-resolution emission spectra of TeH and TeD have been obtained in the region 4200 to 3600 cm -1 using a Bomem DA3.002 Fourier transform spectrometer. Analyses are given for the 0-0 and 1-1 bands of the X 22Π{1}/{2}-X 12Π{3}/{2} system of TeH and for the 0-0 band of TeD. In addition the 2-0 vibrational overtone bands of 130TeH, 128TeH, and 126TeH are observed and analyzed. Accurate molecular constants are given for the first time.

  16. Methane Conversion to C2 Hydrocarbons by Abnormal Glow Discharge at Atmospheric Pressure

    International Nuclear Information System (INIS)

    Dai Wei; Yu Hui; Chen Qi; Yin Yongxiang; Dai Xiaoyan

    2005-01-01

    Methane conversion to C 2 hydrocarbons has been investigated with the addition of hydrogen in a plasma reactor of abnormal glow discharge at atmospheric pressure. The aim of this experiment is to minimize coke formation and improve discharge stability. The typical conditions in the experiment are 300 ml of total feed flux and 400 W of discharge power. The experimental results show that methane conversion is from 91.6% to 35.2% in mol, acetylene selectivity is from 90.2% to 57.6%, and ethylene selectivity is approximately from 7.8% to 3.6%, where the coke increases gradually along with the increase of CH 4 /H 2 from 2: 8 to 9: 1. A stable discharge for a considerable running time can be obtained only at a lower ratio of CH 4 /H 2 2: 8 or 3: 7. These phenomena indicate that the coke deposition during methane conversion is obviously reduced by adding a large amount of hydrogen during an abnormal glow discharge. A qualitative interpretation is presented, namely, with abundant hydrogen, the possibility that hydrogen molecules are activated to hydrogen radicals is increased with the help of the abnormal glow discharge. These hydrogen radicals react with carbon radicals to form C 2 hydrocarbon products. Therefore, the deposition of coke is restrained

  17. Giemsa C-banding Karyotypes of Two Subspecies of Hordeum brevisubulatum from China

    DEFF Research Database (Denmark)

    Linde-Laursen, Ib; Bothmer, R.

    1984-01-01

    . Nucleolar organizer region polymorphisms were demonstrated through silver nitrate staining of nucleoli. C-banding patterns corroborated that tetra- and hexaploid cytotypes of subsp.turkestanicum form an autopolyploid series. Reliable identification ofH. brevisubulatum taxa based on cytological criteria...

  18. The Charge State of Polycyclic Aromatic Hydrocarbons across a Reflection Nebula, an H II Region, and a Planetary Nebula

    Science.gov (United States)

    Boersma, C.; Bregman, J.; Allamandola, L. J.

    2018-05-01

    Low-resolution Spitzer-IRS spectral map data of a reflection nebula (NGC 7023), H II region (M17), and planetary nebula (NGC 40), totaling 1417 spectra, are analyzed using the data and tools available through the NASA Ames PAH IR Spectroscopic Database. The polycyclic aromatic hydrocarbon (PAH) emission is broken down into PAH charge and size subclass contributions using a database-fitting approach. The resulting charge breakdown results are combined with those derived using the traditional PAH band strength ratio approach, which interprets particular PAH band strength ratios as proxies for PAH charge. Here the 6.2/11.2 μm PAH band strength ratio is successfully calibrated against its database equivalent: the {n}PAH}+}/{n}PAH}0} ratio. In turn, this ratio is converted into the PAH ionization parameter, which relates it to the strength of the radiation field, gas temperature, and electron density. Population diagrams are used to derive the {{{H}}}2 density and temperature. The bifurcated plot of the 8.6 versus 11.2 μm PAH band strength for the northwest photo dissociation region in NGC 7023 is shown to be a robust diagnostic template for the {n}PAH}+}/{n}PAH}0} ratio in all three objects. Template spectra for the PAH charge and size subclasses are determined for each object and shown to favorably compare. Using the determined template spectra from NGC 7023 to fit the emission in all three objects yields, upon inspection of the Structure SIMilarity maps, satisfactory results. The choice of extinction curve proves to be critical. Concluding, the distinctly different astronomical environments of a reflection nebula, H II region, and planetary nebula are reflected in their PAH emission spectra.

  19. EXTINCTION AND POLYCYCLIC AROMATIC HYDROCARBON INTENSITY VARIATIONS ACROSS THE H II REGION IRAS 12063-6259

    Energy Technology Data Exchange (ETDEWEB)

    Stock, D. J.; Peeters, E.; Otaguro, J. N. [Department of Physics and Astronomy, University of Western Ontario, London, ON N6A 3K7 (Canada); Tielens, A. G. G. M. [Leiden Observatory, Leiden University, P.O. Box 9513, NL-2300 RA Leiden (Netherlands); Bik, A. [Max-Planck-Institut fuer Astronomie, Koenigstuhl 17, D-69117 Heidelberg (Germany)

    2013-07-01

    The spatial variations in polycyclic aromatic hydrocarbon (PAH) band intensities are normally attributed to the physical conditions of the emitting PAHs, however in recent years it has been suggested that such variations are caused mainly by extinction. To resolve this question, we have obtained near-infrared (NIR), mid-infrared (MIR), and radio observations of the compact H II region IRAS 12063-6259. We use these data to construct multiple independent extinction maps and also to measure the main PAH features (6.2, 7.7, 8.6, and 11.2 {mu}m) in the MIR. Three extinction maps are derived: the first using the NIR hydrogen lines and case B recombination theory; the second combining the NIR data with radio data; and the third making use of the Spitzer/IRS MIR observations to measure the 9.8 {mu}m silicate absorption feature using the Spoon method and PAHFIT (as the depth of this feature can be related to overall extinction). The silicate absorption over the bright, southern component of IRAS 12063-6259 is almost absent while the other methods find significant extinction. While such breakdowns of the relationship between the NIR extinction and the 9.8 {mu}m absorption have been observed in molecular clouds, they have never been observed for H II regions. We then compare the PAH intensity variations in the Spitzer/IRS data after dereddening to those found in the original data. It was found that in most cases, the PAH band intensity variations persist even after dereddening, implying that extinction is not the main cause of the PAH band intensity variations.

  20. Precipitation Estimation Using L-Band and C-Band Soil Moisture Retrievals

    Science.gov (United States)

    Koster, Randal D.; Brocca, Luca; Crow, Wade T.; Burgin, Mariko S.; De Lannoy, Gabrielle J. M.

    2016-01-01

    An established methodology for estimating precipitation amounts from satellite-based soil moisture retrievals is applied to L-band products from the Soil Moisture Active Passive (SMAP) and Soil Moisture and Ocean Salinity (SMOS) satellite missions and to a C-band product from the Advanced Scatterometer (ASCAT) mission. The precipitation estimates so obtained are evaluated against in situ (gauge-based) precipitation observations from across the globe. The precipitation estimation skill achieved using the L-band SMAP and SMOS data sets is higher than that obtained with the C-band product, as might be expected given that L-band is sensitive to a thicker layer of soil and thereby provides more information on the response of soil moisture to precipitation. The square of the correlation coefficient between the SMAP-based precipitation estimates and the observations (for aggregations to approximately100 km and 5 days) is on average about 0.6 in areas of high rain gauge density. Satellite missions specifically designed to monitor soil moisture thus do provide significant information on precipitation variability, information that could contribute to efforts in global precipitation estimation.

  1. Bacterial and human cell mutagenicity study of some C[sub 18]H[sub 10] cyclopenta-fused polycyclic aromatic hydrocarbons associated with fossil fuels combustion

    Energy Technology Data Exchange (ETDEWEB)

    Lafleur, A.L.; Longwell, J.P.; Marr, J.A.; Monchamp, P.A.; Thilly, W.G. (Massachusetts Institute of Technology, Cambridge (United States)); Mulder, P.P.Y.; Boere, B.B.; Cornelisse, J.; Lugtenburg, J. (Univ. of Leiden (Netherlands))

    1993-06-01

    A number of isomeric C[sub 18]H[sub 10] polycyclic aromatic hydrocarbons (PAHs), thought to be primarily cyclopenta-fused PAHs, are produced during the combustion and pyrolysis of fossil fuels. To determine the importance of their contributions to the total mutagenic activity of combustion and pyrolysis samples in which they are found, we characterized reference quantities of four C[sub 18]H[sub 10] CP-PAHs: benzol [ghi] fluoranthene (BF), cyclopenta [cd] pyrene (CPP), cyclopent [hi] acephenanthrylene (CPAP), and cyclopent [hi] acaenthrylene (CPAA). Synthesis of CPAA and CPAP is described. The availability of reference samples of these isomers also proved to be an essential aid in the identification of the C[sub 18]H[sub 10] species often found in combustion and pyrolysis samples. Chemical analysis of selected combustion and pyrolysis samples showed that CPP was generally the most abundant C[sub 18]H[sub 10] isomer, followed by CPAP and BF. CPAA was detected only in pyrolysis products from pure PAHs. We tested the four C[sub 18]H[sub 10] PAHs for mutagenicity in a forward mutation assay using S. typhimurium. CPP, BF, and CPAA were roughly twice as mutagenic as benzo[a]pyrene (BaP), whereas CPAP was only slightly active. These PAHs were also tested for mutagenic activity in human cells. In this assay, CPP and CPAA were strongly mutagenic but less active than BaP, whereas CPAP and BF were inactive at the dose levels tested. Also, the bacterial and human cell mutagenicity of CPAA and CPAP were compared with the mutagenicity of their monocyclopenta-fused analogs, aceanthrylene and acephenanthrylene. Although the mutagenicities of CPAP and acephenanthrylene are similar, the mutagenic activity of CPAA is an order of magnitude greater than that of aceanthrylene.

  2. c-C5H5 on a Ni(1 1 1) surface: Theoretical study of the adsorption, electronic structure and bonding

    International Nuclear Information System (INIS)

    German, E.; Simonetti, S.; Pronsato, E.; Juan, A.; Brizuela, G.

    2008-01-01

    In the present work the ASED-MO method is applied to study the adsorption of cyclopentadienyl anion on a Ni(1 1 1) surface. The adsorption with the centre of the aromatic ring placed above the hollow position has been identified to be energetically the most favourable. The aromatic ring remains almost flat, the H atoms are tilted 17 deg. away from the metal surface. We modelled the metal surface by a two-dimensional slab of finite thickness, with an overlayer of c-C 5 H 5 - , one c-C 5 H 5 - per nine surface Ni atoms. The c-C 5 H 5 - molecule is attached to the surface with its five C atoms bonding mainly with three Ni atoms. The Ni-Ni bond in the underlying surface and the C-C bonds of c-C 5 H 5 - are weakened upon adsorption. We found that the band of Ni 5d z 2 orbitals plays an important role in the bonding between c-C 5 H 5 - and the surface, as do the Ni 6s and 6p z bands

  3. Properties of a-C:H:O plasma polymer films deposited from acetone vapors

    Energy Technology Data Exchange (ETDEWEB)

    Drabik, M., E-mail: martin.drabik@gmail.com [Empa, Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014 St. Gallen (Switzerland); Celma, C. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014 St. Gallen (Switzerland); Kousal, J.; Biederman, H. [Charles University in Prague, Faculty of Mathematics and Physics, Department of Macromolecular Physics, V Holešovičkách 2, 180 00 Prague 8 (Czech Republic); Hegemann, D. [Empa, Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014 St. Gallen (Switzerland)

    2014-12-31

    To gain insight into the deposition and stability of oxygen-containing plasma polymer films, the properties of amorphous oxygenated hydrocarbon (a-C:H:O) plasma polymer coatings deposited from acetone vapors under various experimental conditions are investigated. Apart from the discharge power, the influence of the reactive carbon dioxide (CO{sub 2}) gas on the structure of the resulting films is studied. It is found by characterization using X-ray Photoelectron Spectroscopy and Fourier-Transform Infrared Spectroscopy that the experimental conditions particularly influence the amount of oxygen in the deposited a-C:H:O plasma polymer films. The O/C elemental ratio increases with increasing amount of CO{sub 2} in the working gas mixture (up to 0.2 for 24 sccm of CO{sub 2} at 30 W) and decreases with increasing RF discharge power (down to 0.17 for 50 W). Furthermore, the nature of bonds between the oxygen and carbon atoms has been examined. Only low amounts of double and triple bonded carbon are observed. This has a particular influence on the aging of the plasma polymer films which is studied both in ambient air and in distilled water for up to 4 months. Overall, stable a-C:H:O plasma polymer films are deposited comprising low amounts (up to about 5%) of ester/carboxyl groups. - Highlights: • Hydrocarbon plasma polymer films with variable oxygen content can be prepared. • Stable oxygenated hydrocarbon plasma polymers contain max 5% of ester/carboxyl groups. • Acetone-derived plasma polymer films can be used as permanent hydrophilic surfaces.

  4. NLTE ANALYSIS OF HIGH-RESOLUTION H -BAND SPECTRA. I. NEUTRAL SILICON

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Junbo; Shi, Jianrong; Liu, Chao [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, A20 Datun Road, Chaoyang District, Beijing 100012 (China); Pan, Kaike [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM, 88349-0059 (United States); Prieto, Carlos Allende, E-mail: sjr@bao.ac.cn [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain)

    2016-12-20

    We investigated the reliability of our silicon atomic model and the influence of non-local thermodynamical equilibrium (NLTE) on the formation of neutral silicon (Si i) lines in the near-infrared (near-IR) H -band. We derived the differential Si abundances for 13 sample stars with high-resolution H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE), as well as from optical spectra, both under local thermodynamical equilibrium (LTE) and NLTE conditions. We found that the differences between the Si abundances derived from the H -band and from optical lines for the same stars are less than 0.1 dex when the NLTE effects are included, and that NLTE reduces the line-to-line scatter in the H -band spectra for most sample stars. These results suggest that our Si atomic model is appropriate for studying the formation of H -band Si lines. Our calculations show that the NLTE corrections of the Si i H -band lines are negative, i.e., the final Si abundances will be overestimated in LTE. The corrections for strong lines depend on surface gravity, and tend to be larger for giants, reaching ∼−0.2 dex in our sample, and up to ∼−0.4 dex in extreme cases of APOGEE targets. Thus, the NLTE effects should be included in deriving silicon abundances from H -band Si i lines, especially for the cases where only strong lines are available.

  5. Determination of C6-C10 aromatic hydrocarbons in water by purge-and-trap capillary gas chromatography

    Science.gov (United States)

    Eganhouse, R.P.; Dorsey, T.F.; Phinney, C.S.; Westcott, A.M.

    1993-01-01

    A method is described for the determination of the C6-C10 aromatic hydrocarbons in water based on purge-and-trap capillary gas chromatography with flame ionization and mass spectrometric detection. Retention time data and 70 eV mass spectra were obtained for benzene and all 35 C7-C10 aromatic hydrocarbons. With optimized chromatographic conditions and mass spectrometric detection, benzene and 33 of the 35 alkylbenzenes can be identified and measured in a 45-min run. Use of a flame ionization detector permits the simultaneous determination of benzene and 26 alkylbenzenes.

  6. PROBING THE IONIZATION STATES OF POLYCYCLIC AROMATIC HYDROCARBONS VIA THE 15–20 μm EMISSION BANDS

    Energy Technology Data Exchange (ETDEWEB)

    Shannon, M. J.; Stock, D. J.; Peeters, E., E-mail: mshann3@uwo.ca [Department of Physics and Astronomy, University of Western Ontario, London, ON, N6A 3K7 (Canada)

    2015-10-01

    We report new correlations between ratios of band intensities of the 15–20 μm emission bands of polycyclic aromatic hydrocarbons (PAHs) in a sample of 57 sources observed with the Spitzer/Infrared Spectrograph. This sample includes Large Magellanic Cloud point sources from the SAGE-Spec survey, nearby galaxies from the Spitzer Infrared Nearby Galaxies Survey survey, two Galactic interstellar medium cirrus sources, and the spectral maps of the Galactic reflection nebulae NGC 2023 and NGC 7023. We find that the 16.4, 17.4, and 17.8 μm band intensities are inter-correlated in all environments. In NGC 2023 and NGC 7023 these bands also correlate with the 11.0 and 12.7 μm band intensities. The 15.8 μm band correlates only with the 15–18 μm plateau and the 11.2 μm emission. We examine the spatial morphology of these bands and introduce radial cuts. We find that these bands can be spatially organized into three sets: the 12.7, 16.4, and 17.8 μm bands; the 11.2, 15.8 μm bands and the 15–18 μm plateau; and the 11.0 and 17.4 μm bands. We also find that the spatial distribution of the 12.7, 16.4, and 17.8 μm bands can be reconstructed by averaging the spatial distributions of the cationic 11.0 μm and neutral 11.2 μm bands. We conclude that the 17.4 μm band is dominated by cations, the 15.8 μm band by neutral species, and the 12.7, 16.4, and 17.8 μm bands by a combination of the two. These results highlight the importance of PAH ionization for spatially differentiating sub-populations by their 15–20 μm emission variability.

  7. Symmetry breaking and spectral considerations of the surprisingly floppy c-C3H radical and the related dipole-bound excited state of c-C3H-

    Science.gov (United States)

    Bassett, Matthew K.; Fortenberry, Ryan C.

    2017-06-01

    The C3H radical is believed to be prevalent throughout the interstellar medium and may be involved in the formation of polycyclic aromatic hydrocarbons. C3H exists as both a linear and a cyclic isomer. The C2 v cyclopropenylidenyl radical isomer was detected in the dark molecular cloud TMC-1, and the linear propenylidenyl radical isomer has been observed in various dark molecular clouds. Even though the c-C3H radical has been classified rotationally, the vibrational frequencies of this seemingly important interstellar molecule have never been directly observed. Established, highly accurate quartic force field methodologies are employed here to compute useful geometrical data, spectroscopic constants, and vibrational frequencies. The computed rotational constants are consistent with the experimental results. Consequently, the three a1 (ν1, ν2, and ν3) and one b1 (ν6) anharmonic vibrational frequencies at 3117.7 cm-1, 1564.3 cm-1, 1198.5 cm-1, and 826.7 cm-1, respectively, are reliable predictions for these, as of yet unseen, observables. Unfortunately, the two b2 fundamentals (ν4 and ν5) cannot be treated adequately in the current approach due to a flat and possible double-well potential described in detail herein. The dipole-bound excited state of the anion suffers from the same issues and may not even be bound. However, the trusted fundamental vibrational frequencies described for the neutral radical should not be affected by this deformity and are the first robustly produced for c-C3H. The insights gained here will also be applicable to other structures containing three-membered bare and exposed carbon rings that are surprisingly floppy in nature.

  8. The applicability of radiotracers for the investigation of the distillation of hydrocarbons

    International Nuclear Information System (INIS)

    Graczyk, J.; Iller, E.

    1976-01-01

    The use of radioactive tracers provide valuable methods for the investigation of distillation processes and have been applied to determine the characteristics of material streams, the dynamics of flowing phases and the composition in various parts of the distillation equipment. A method is proposed for testing individual radiotracers emplozemployed for the investigation of the distillation of hydrocarbons. The method consists in laboratory-scale distillation of a tracer together with a multicomponent hydrocarbon mixture, namely a gasoline fraction. The purification efficiency, distillation characteristics, and effective radiochemical purity of several tracers (reactor activated bromobenzene and synthesized C 3 H 7 82 Br, C 4 H 9 82 Br, C 5 H 11 82 Br) have been investigated. The distillation characteristics of bromohydrocarbons labelled with 82 Br and selected hydrocarbons tagged with 14 C (benzene and cumene) have been compared. The radiotracers investigated were employed for the determination of the hydrodynamic parameters of hydrocarbon distillation in laboratory packed columns and a commercial distillation tower. (author)

  9. Late metal carbene complexes generated by multiple C-H activations: examining the continuum of M=C bond reactivity.

    Science.gov (United States)

    Whited, Matthew T; Grubbs, Robert H

    2009-10-20

    Unactivated C(sp(3))-H bonds are ubiquitous in organic chemicals and hydrocarbon feedstocks. However, these resources remain largely untapped, and the development of efficient homogeneous methods for hydrocarbon functionalization by C-H activation is an attractive and unresolved challenge for synthetic chemists. Transition-metal catalysis offers an attractive possible means for achieving selective, catalytic C-H functionalization given the thermodynamically favorable nature of many desirable partial oxidation schemes and the propensity of transition-metal complexes to cleave C-H bonds. Selective C-H activation, typically by a single cleavage event to produce M-C(sp(3)) products, is possible through myriad reported transition-metal species. In contrast, several recent reports have shown that late transition metals may react with certain substrates to perform multiple C-H activations, generating M=C(sp(2)) complexes for further elaboration. In light of the rich reactivity of metal-bound carbenes, such a route could open a new manifold of reactivity for catalytic C-H functionalization, and we have targeted this strategy in our studies. In this Account, we highlight several early examples of late transition-metal complexes that have been shown to generate metal-bound carbenes by multiple C-H activations and briefly examine factors leading to the selective generation of metal carbenes through this route. Using these reports as a backdrop, we focus on the double C-H activation of ethers and amines at iridium complexes supported by Ozerov's amidophosphine PNP ligand (PNP = [N(2-P(i)Pr(2)-4-Me-C(6)H(3))(2)](-)), allowing isolation of unusual square-planar iridium(I) carbenes. These species exhibit reactivity that is distinct from the archetypal Fischer and Schrock designations. We present experimental and theoretical studies showing that, like the classical square-planar iridium(I) organometallics, these complexes are best described as nucleophilic at iridium. We discuss

  10. EXTINCTION AND POLYCYCLIC AROMATIC HYDROCARBON INTENSITY VARIATIONS ACROSS THE H II REGION IRAS 12063–6259

    International Nuclear Information System (INIS)

    Stock, D. J.; Peeters, E.; Otaguro, J. N.; Tielens, A. G. G. M.; Bik, A.

    2013-01-01

    The spatial variations in polycyclic aromatic hydrocarbon (PAH) band intensities are normally attributed to the physical conditions of the emitting PAHs, however in recent years it has been suggested that such variations are caused mainly by extinction. To resolve this question, we have obtained near-infrared (NIR), mid-infrared (MIR), and radio observations of the compact H II region IRAS 12063–6259. We use these data to construct multiple independent extinction maps and also to measure the main PAH features (6.2, 7.7, 8.6, and 11.2 μm) in the MIR. Three extinction maps are derived: the first using the NIR hydrogen lines and case B recombination theory; the second combining the NIR data with radio data; and the third making use of the Spitzer/IRS MIR observations to measure the 9.8 μm silicate absorption feature using the Spoon method and PAHFIT (as the depth of this feature can be related to overall extinction). The silicate absorption over the bright, southern component of IRAS 12063–6259 is almost absent while the other methods find significant extinction. While such breakdowns of the relationship between the NIR extinction and the 9.8 μm absorption have been observed in molecular clouds, they have never been observed for H II regions. We then compare the PAH intensity variations in the Spitzer/IRS data after dereddening to those found in the original data. It was found that in most cases, the PAH band intensity variations persist even after dereddening, implying that extinction is not the main cause of the PAH band intensity variations.

  11. Gas-phase reactivity of lanthanide cations with fluorocarbons: C-F versus C-H and C-C bond activation

    International Nuclear Information System (INIS)

    Cornehl, H.H.; Hornung, G.; Schwarz, H.

    1996-01-01

    The gas-phase reactivity of the fluorinated hydrocarbons CF 4 , CHF 3 , CH 3 F, C 2 F 6 , 1,1-C 2 H 4 F 2 , and C 6 F 6 with the lanthanide cations Ce + , Pr + , Sm + , Ho + , Tm + , and Yb + and the reactivity of C 6 H 5 F with all lanthanide cations Ln + (Ln = La-Lu, with the exception of Pm + ) have been examined by Fourier-transform ion cyclotron resonance mass spectrometry. The perfluorinated compounds tetrafluoromethane and hexafluoroethane as well as trifluoromethane do not react with any lanthanide cation. Selective activation of the strong C-F bonds in fluoromethane, 1,1-difluoroethane, hexafluorobenzene, and fluorobenzene appears as a general reaction scheme along the 4f row. Experimental evidence is given for a 'harpoon'-like mechanism for the F atom abstraction process which operates via an initial electron transfer from the lanthanide cation to the fluorinated substrate in the encounter complex Ln + RF. The most reactive lanthanides La + , Ce + , Gd + , and Tb + and also the formal closed-shell species Lu + exhibit additional C-H and C-C bond activation pathways in the reaction with fluorobenzene, namely dehydrohalogenation as well as loss of a neutral acetylene molecule. In the case of Tm + and Yb + the formation of neutral LnF 3 is observed in a multistep process via C-C coupling and charge transfer. 17 refs., 2 figs., 2 tabs

  12. Adsorption Properties of Hydrocarbons (n-Decane, Methyl Cyclohexane and Toluene on Clay Minerals: An Experimental Study

    Directory of Open Access Journals (Sweden)

    Jie Zhang

    2017-10-01

    Full Text Available Adsorption of hydrocarbons may significantly affect hydrocarbon migration in unconventional reservoirs. Clay minerals form the primary adsorbent surfaces for hydrocarbons adsorbed in mudstone/shale. To study the adsorption properties of hydrocarbons (n-decane (C10H22, methyl cyclohexane (C7H14 and toluene (C7H8 on clay minerals (i.e., cookeite, ripidolite, kaolinite, illite, illite/smectite mixed-layer, Na-montmorillonite and Ca-montmorillonite, hydrocarbon vapor adsorption (HVA tests were conducted at 298.15 K. The results showed that (i the adsorption amounts of C10H22, C7H14 and C7H8 ranged from 0.45–1.03 mg/m2, 0.28–0.90 mg/m2 and 0.16–0.53 mg/m2, respectively; (ii for cookeite, ripidolite and kaolinite, the adsorption capacity of C10H22 was less than C7H14, which was less than C7H8; (iii for illite, Na-montmorillonite and Ca-montmorillonite, the adsorption capacity of C10H22 was greater than that of C7H8, and the adsorption capacity of C7H14 was the lowest; (iv for an illite/smectite mixed-layer, C7H14 had the highest adsorption capacity, followed by C10H22, and C7H8 had the lowest capacity. Adsorption properties were correlated with the microscopic parameters of pores in clay minerals and with experimental pressure. Finally, the weighted average method was applied to evaluate the adsorption properties of C10H22, C7H14 and C7H8 on clay minerals in oil-bearing shale from the Shahejie Formation of Dongying Sag in the Bohai Bay Basin, China. For these samples, the adsorbed amounts of C7H14 ranged from 18.03–28.02 mg/g (mean 23.33 mg/g, which is larger than that of C10H22, which ranges from 15.40–21.72 mg/g (mean 18.82 mg/g. The adsorption capacity of C7H8 was slightly low, ranging from 10.51–14.60 mg/g (mean 12.78 mg/g.

  13. Rethinking Sensitized Luminescence in Lanthanide Coordination Polymers and MOFs: Band Sensitization and Water Enhanced Eu Luminescence in [Ln(C15H9O5)3(H2O)3]n (Ln = Eu, Tb).

    Science.gov (United States)

    Einkauf, Jeffrey D; Kelley, Tanya T; Chan, Benny C; de Lill, Daniel T

    2016-08-15

    A coordination polymer [Ln(C15H9O9)3(H2O)3]n (1-Ln = Eu(III), Tb(III)) assembled from benzophenonedicarboxylate was synthesized and characterized. The organic component is shown to sensitize lanthanide-based emission in both compounds, with quantum yields of 36% (Eu) and 6% (Tb). Luminescence of lanthanide coordination polymers is currently described from a molecular approach. This methodology fails to explain the luminescence of this system. It was found that the band structure of the organic component rather than the molecular triplet state was able to explain the observed luminescence. Deuterated (Ln(C15H9O9)3(D2O)3) and dehydrated (Ln(C15H9O9)3) analogues were also studied. When bound H2O was replaced by D2O, lifetime and emission increased as expected. Upon dehydration, lifetimes increased again, but emission of 1-Eu unexpectedly decreased. This reduction is reasoned through an unprecedented enhancement effect of the compound's luminescence by the OH/OD oscillators in the organic-to-Eu(III) energy transfer process.

  14. Bands dispersion and charge transfer in β-BeH2

    Science.gov (United States)

    Trivedi, D. K.; Galav, K. L.; Joshi, K. B.

    2018-04-01

    Predictive capabilities of ab-initio method are utilised to explore bands dispersion and charge transfer in β-BeH2. Investigations are carried out using the linear combination of atomic orbitals method at the level of density functional theory. The crystal structure and related parameters are settled by coupling total energy calculations with the Murnaghan equation of state. Electronic bands dispersion from PBE-GGA is reported. The PBE-GGA, and PBE0 hybrid functional, show that β-BeH2 is a direct gap semiconductor with 1.18 and 2.40 eV band gap. The band gap slowly decreases with pressure and beyond l00 GPa overlap of conduction and valence bands at the r point is observed. Charge transfer is studied by means of Mullikan population analysis.

  15. Influence of the anisotropy on the performance of D-band SiC IMPATT diodes

    Science.gov (United States)

    Chen, Qing; Yang, Lin'an; Wang, Shulong; Zhang, Yue; Dai, Yang; Hao, Yue

    2015-03-01

    Numerical simulation has been made to predict the RF performance of direction and direction p+/n/n-/n+ (single drift region) 4H silicon carbide (4H-SiC) impact-ionization-avalanche-transit-time (IMPATT) diodes for operation at D-band frequencies. We observed that the output performance of 4H-SiC IMPATT diode is sensitive to the crystal direction of the one-dimensional current flow. The simulation results show that direction 4H-SiC IMPATT diode provides larger breakdown voltage for its lower electron and hole ionization rates and higher dc-to-rf conversion efficiency (η) for its higher ratio of drift zone voltage drop (VD) to breakdown voltage (VB) compared with those for direction 4H-SiC IMPATT diode, which lead to higher-millimeter-wave power output for direction 4H-SiC IMPATT compared to direction. However, the quality factor Q for the direction 4H-SiC IMPATT diode is lower than that of direction, which implies that the direction 4H-SiC IMPATT diode exhibits better stability and higher growth rate of microwave oscillation compared with direction 4H-SiC IMPATT diode.

  16. Oxidative addition of C--H bonds in organic molecules to transition metal centers

    International Nuclear Information System (INIS)

    Bergman, R.G.

    1989-04-01

    Alkanes are among the most chemically inert organic molecules. They are reactive toward a limited range of reagents, such as highly energetic free radicals and strongly electrophilic and oxidizing species. This low reactivity is a consequence of the C--H bond energies in most saturated hydrocarbons. These values range from 90 to 98 kcal/mole for primary and secondary C--H bonds; in methane, the main constituent of natural gas, the C--H bond energy is 104 kcal/mole. This makes methane one of the most common but least reactive organic molecules in nature. This report briefly discusses the search for metal complexes capable of undergoing the C--H oxidative addition process allowing alkane chemistry to be more selective than that available using free radical reagents. 14 refs

  17. The influence of cyclic structure on the radiolysis of hydrocarbons

    International Nuclear Information System (INIS)

    Foeldiak, G.; Cserep, Gy.; Horvath, Zs.; Wojnarovits, L.

    1975-01-01

    Aliphatic and cyclic C 3 -C 12 alkanes and alkenes have been irradiated in liquid phase by a 60 Co-γ-source with the nominal activity of 80 000 Ci. The dose rate was 1-2 Mrad/hr, the doses were between 0 and 10 Mrad. The following conclusions can be drawn from the experiments: 1., While no significant difference can be observed between radiolytic decomposition of n-hydrocarbon homologues, that of cyclic hydrocarbons is the function of the size of the ring. 2., Reactivity of cyclic hydrocarbons is influenced not only by their surplus enthalpy of formation (strain energy) but also by the individual components of this surplus enthalpy, e.g. bond deformation or repulsion between hydrogen atoms. 3., The overall yield of decomposition of higher than C 4 straightchain and cyclic alkanes activated by radiation and reacting via either C-C or C-H fission is approximately constant, with a G value of 6.5+-0.5. The structure of the molecules affects mainly the ratio of C-C and C-H bond rupture, i.e. these two processes are in competition. 4., Hydrogen yields from alkenes are affected mainly by the order and number of allylic C-H bonds, and by the possibility of the formation of allyl-type radicals. This latter is facilitated by ''free'' rotation in the case of open-chain hydrocarbons whereas it is hindered in the case of small and medium size cycles. (K.A.)

  18. Development of gas chromatography-flame ionization detection system with a single column and liquid nitrogen-free for measuring atmospheric C2-C12 hydrocarbons.

    Science.gov (United States)

    Liu, Chengtang; Mu, Yujing; Zhang, Chenglong; Zhang, Zhibo; Zhang, Yuanyuan; Liu, Junfeng; Sheng, Jiujiang; Quan, Jiannong

    2016-01-04

    A liquid nitrogen-free GC-FID system equipped with a single column has been developed for measuring atmospheric C2-C12 hydrocarbons. The system is consisted of a cooling unit, a sampling unit and a separation unit. The cooling unit is used to meet the temperature needs of the sampling unit and the separation unit. The sampling unit includes a dehydration tube and an enrichment tube. No breakthrough of the hydrocarbons was detected when the temperature of the enrichment tube was kept at -90 °C and sampling volume was 400 mL. The separation unit is a small round oven attached on the cooling column. A single capillary column (OV-1, 30 m × 0.32 mm I.D.) was used to separate the hydrocarbons. An optimal program temperature (-60 ∼ 170 °C) of the oven was achieved to efficiently separate C2-C12 hydrocarbons. There were good linear correlations (R(2)=0.993-0.999) between the signals of the hydrocarbons and the enrichment amount of hydrocarbons, and the relative standard deviation (RSD) was less than 5%, and the method detection limits (MDLs) for the hydrocarbons were in the range of 0.02-0.10 ppbv for sampling volume of 400 mL. Field measurements were also conducted and more than 50 hydrocarbons from C2 to C12 were detected in Beijing city. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Synthesis of metal-adeninate frameworks with high separation capacity on C{sub 2}/C{sub 1} hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    He, Yan-Ping, E-mail: hyp041@163.com [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Zhou, Nan [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Hunan GuangYi Experimental Middle School, Changsha, Hunan 410014 (China); Tan, Yan-Xi; Wang, Fei; Zhang, Jian [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)

    2016-06-15

    By introducing isophthalic acid or 2,5-thiophenedicarboxylic acid to assemble with adenine and cadmium salt, two isostructural and anionic porous metal-organic frameworks (1 and 2) possessing the novel (4,8)-connected sqc topology are presented here. 1 shows permanent porosity with Langmuir surface area of 770.1 m{sup 2}/g and exhibits high separation capacity on C{sub 2}/C{sub 1} hydrocarbons. - Graphical abstract: The assembly between isophthalic acid, adenine ligands and Cd{sup 2+} ions leads to an anionic porous metal-organic frameworks, which shows permanent porosity and exhibits high C{sub 2}/C{sub 1} hydrocarbons separation capacity. Display Omitted.

  20. Interface Trap Profiles in 4H- and 6H-SiC MOS Capacitors with Nitrogen- and Phosphorus-Doped Gate Oxides

    Science.gov (United States)

    Jiao, C.; Ahyi, A. C.; Dhar, S.; Morisette, D.; Myers-Ward, R.

    2017-04-01

    We report results on the interface trap density ( D it) of 4H- and 6H-SiC metal-oxide-semiconductor (MOS) capacitors with different interface chemistries. In addition to pure dry oxidation, we studied interfaces formed by annealing thermal oxides in NO or POCl3. The D it profiles, determined by the C- ψ s method, show that, although the as-oxidized 4H-SiC/SiO2 interface has a much higher D it profile than 6H-SiC/SiO2, after postoxidation annealing (POA), both polytypes maintain comparable D it near the conduction band edge for the gate oxides incorporated with nitrogen or phosphorus. Unlike most conventional C- V- or G- ω-based methods, the C- ψ s method is not limited by the maximum probe frequency, therefore taking into account the "fast traps" detected in previous work on 4H-SiC. The results indicate that such fast traps exist near the band edge of 6H-SiC also. For both polytypes, we show that the total interface trap density ( N it) integrated from the C- ψ s method is several times that obtained from the high-low method. The results suggest that the detected fast traps have a detrimental effect on electron transport in metal-oxide-semiconductor field-effect transistor (MOSFET) channels.

  1. Monte Carlo Simulation of Electron Transport in 4H- and 6H-SiC

    International Nuclear Information System (INIS)

    Sun, C. C.; You, A. H.; Wong, E. K.

    2010-01-01

    The Monte Carlo (MC) simulation of electron transport properties at high electric field region in 4H- and 6H-SiC are presented. This MC model includes two non-parabolic conduction bands. Based on the material parameters, the electron scattering rates included polar optical phonon scattering, optical phonon scattering and acoustic phonon scattering are evaluated. The electron drift velocity, energy and free flight time are simulated as a function of applied electric field at an impurity concentration of 1x10 18 cm 3 in room temperature. The simulated drift velocity with electric field dependencies is in a good agreement with experimental results found in literature. The saturation velocities for both polytypes are close, but the scattering rates are much more pronounced for 6H-SiC. Our simulation model clearly shows complete electron transport properties in 4H- and 6H-SiC.

  2. Comparison of the Giemsa C-banded and N-banded karyotypes of two Elymus species, E. dentatus and E. glaucescens (Poaceae; Triticeae)

    DEFF Research Database (Denmark)

    Linde-Laursen, I.; Seberg, O.; Salomon, B.

    1994-01-01

    The karyotypes of Elymus dentatus from Kashmir and E. glaucescens from Tierra del Fuego, both carrying genomes S and H, were investigated by C- and N-banding. Both taxa had 2n = 4x = 28. The karyotype of E. dentatus was symmetrical with large chromosomes. It had 18 metacentric, four submetacentric...

  3. The 2ν2 bands of H212CO and H213CO by high-resolution FTIR spectroscopy

    Science.gov (United States)

    Tan, T. L.; A'dawiah, Rabia'tul; Ng, L. L.

    2017-10-01

    The Fourier transform infrared (FTIR) absorption spectra of the 2ν2 overtone bands of formaldehyde H212CO and its isotopologue H213CO were recorded at an unapodized resolution of 0.0063 cm-1 in the 3300-3540 cm-1 region. Upper state (v2 = 2) rovibrational up to two sextic centrifugal distortion constants were accurately determined for both H212CO and H213CO. A total of 533 unperturbed infrared transitions of H212CO and 466 unperturbed infrared transitions of H212CO were assigned and fitted with rms deviations of 0.0012 cm-1 and 0.00084 cm-1 respectively using Watson's A-reduced Hamiltonian in the Ir representation. Analysis of new transitions for H212CO measured in this work yielded upper state constants with greater accuracy than previously reported. The infrared transitions of the 2ν2 band of H213CO were measured for the first time. The band center of the A-type 2ν2 band of H212CO was found to be 3471.71403 ± 0.00012 cm-1 and that of H213CO was 3396.628983 ± 0.000083 cm-1. Furthermore, the newly assigned high-resolution infrared lines of the 2ν2 bands in the 3300-3540 cm-1 region can be useful in detecting the H212CO and H213CO molecules in this IR region.

  4. Headspace solid phase microextraction--GC/C-IRMS for delta13CVPDB measurements of mono-aromatic hydrocarbons using EA-IRMS calibration.

    Science.gov (United States)

    Ebongué, Véronique Woule; Geypens, Benny; Berglund, Michael; Taylor, Philip

    2009-03-01

    This work aims at comparing the delta(13)C(VPDB) of mono-aromatic hydrocarbons benzene, toluene, ethylbenzene and xylene isomers (BTEX) measured by elemental analyser (EA)-isotope ratio mass spectrometer (IRMS) with the delta(13)C(VPDB) measured on the same compounds by headspace solid phase microextraction - GC/C-IRMS (hSPME - GC/C-IRMS) with the final goal of using these compounds as internal standards on the latter system. The EA-IRMS measurements were done using calcium and lithium carbonate isotopic reference materials: NBS19 and L-SVEC for establishing the delta(13)C(VPDB) scale. The EA-IRMS measurements with helium dilution of a set of five reference materials (USGS40, USGS41, IAEA-CH-6, IAEA-CH-3 and IAEA-601) show systematic bias of 1 per thousand relative to their assigned values. This bias due to the dilution mechanism in the used ConfloII interface device could not be avoided. As the selected hydrocarbons: BTEX could not be analysed by EA-IRMS without helium dilution, their delta(13)C(VPDB) must be corrected from this observed bias using an external calibration. The CO(2) gas calibrated using EA-IRMS without helium dilution, was used as an in-house reference for the delta(13)C(VPDB) measurements of the BTEX by the hSPME - GC/C-IRMS system. The comparison made between the delta(13)C(VPDB) measured on the same BTEX compounds by EA-IRMS (with external calibration) and by hSPME - GC/C-IRMS techniques showed good agreement.

  5. Analytical method validation of GC-FID for the simultaneous measurement of hydrocarbons (C2-C4 in their gas mixture

    Directory of Open Access Journals (Sweden)

    Oman Zuas

    2016-09-01

    Full Text Available An accurate gas chromatography coupled to a flame ionization detector (GC-FID method was validated for the simultaneous analysis of light hydrocarbons (C2-C4 in their gas mixture. The validation parameters were evaluated based on the ISO/IEC 17025 definition including method selectivity, repeatability, accuracy, linearity, limit of detection (LOD, limit of quantitation (LOQ, and ruggedness. Under the optimum analytical conditions, the analysis of gas mixture revealed that each target component was well-separated with high selectivity property. The method was also found to be precise and accurate. The method linearity was found to be high with good correlation coefficient values (R2 ≥ 0.999 for all target components. It can be concluded that the GC-FID developed method is reliable and suitable for determination of light C2-C4 hydrocarbons (including ethylene, propane, propylene, isobutane, and n-butane in their gas mixture. The validated method has successfully been applied to the estimation of hydrocarbons light C2-C4 hydrocarbons in natural gas samples, showing high performance repeatability with relative standard deviation (RSD less than 1.0% and good selectivity with no interference from other possible components could be observed.

  6. NLTE ANALYSIS OF HIGH-RESOLUTION H -BAND SPECTRA. II. NEUTRAL MAGNESIUM

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Junbo; Shi, Jianrong; Liu, Chao [Key Laboratory of Optical Astronomy, National Astronomical Observatories, Chinese Academy of Sciences, A20 Datun Road, Chaoyang District, Beijing 100012 (China); Pan, Kaike [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM 88349-0059 (United States); Prieto, Carlos Allende, E-mail: sjr@bao.ac.cn [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain)

    2017-01-20

    Aiming at testing the validity of our magnesium atomic model and investigating the effects of non-local thermodynamical equilibrium (NLTE) on the formation of the H -band neutral magnesium lines, we derive the differential Mg abundances from selected transitions for 13 stars either adopting or relaxing the assumption of local thermodynamical equilibrium (LTE). Our analysis is based on high-resolution and high signal-to-noise ratio H -band spectra from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) and optical spectra from several instruments. The absolute differences between the Mg abundances derived from the two wavelength bands are always less than 0.1 dex in the NLTE analysis, while they are slightly larger for the LTE case. This suggests that our Mg atomic model is appropriate for investigating the NLTE formation of the H -band Mg lines. The NLTE corrections for the Mg i H -band lines are sensitive to the surface gravity, becoming larger for smaller log g values, and strong lines are more susceptible to departures from LTE. For cool giants, NLTE corrections tend to be negative, and for the strong line at 15765 Å they reach −0.14 dex in our sample, and up to −0.22 dex for other APOGEE stars. Our results suggest that it is important to include NLTE corrections in determining Mg abundances from the H -band Mg i transitions, especially when strong lines are used.

  7. Raman spectra of long chain hydrocarbons: anharmonic calculations, experiment and implications for imaging of biomembranes.

    Science.gov (United States)

    Šebek, Jiří; Pele, Liat; Potma, Eric O; Gerber, R Benny

    2011-07-28

    First-principles anharmonic vibrational calculations are carried out for the Raman spectrum of the C-H stretching bands in dodecane, and for the C-D bands in the deuterated molecule. The calculations use the Vibrational Self-Consistent Field (VSCF) algorithm. The results are compared with liquid-state experiments, after smoothing the isolated-molecule sharp-line computed spectra. Very good agreement between the computed and experimental results is found for the two systems. The combined theoretical and experimental results provide insights into the spectrum, elucidating the roles of symmetric and asymmetric CH(3) and CH(2) hydrogenic stretches. This is expected to be very useful for the interpretation of spectra of long-chain hydrocarbons. The results show that anharmonic effects on the spectrum are large. On the other hand, vibrational degeneracy effects seem to be rather modest at the resolution of the experiments. The degeneracy effects may have more pronounced manifestations in higher-resolution experiments. The results show that first-principles anharmonic vibrational calculations for hydrocarbons are feasible, in good agreement with experiment, opening the way for applications to many similar systems. The results may be useful for the analysis of CARS imaging of lipids, for which dodecane is a representative molecule. It is suggested that first-principles vibrational calculations may be useful also for CARS imaging of other systems. This journal is © the Owner Societies 2011

  8. High storage capacity and separation selectivity for C2hydrocarbons over methane in the metal-organic framework Cu-TDPAT

    KAUST Repository

    Liu, Kang; Ma, Dingxuan; Li, Baiyan; Li, Yi; Yao, Kexin; Zhang, Zhijuan; Han, Yu; Shi, Zhan

    2014-01-01

    We report on the storage capacity and separation selectivity of an rht-type metal-organic framework, Cu-TDPAT [TDPAT = 2,4,6-tris(3,5-dicarboxylphenylamino)-1,3,5-triazine], for C2hydrocarbons over CH4. Henry's constant, the isosteric heat of adsorption and the ideal adsorbed solution theory selectivity were calculated based on single-component sorption isotherms. Theoretical calculations indicate that both the open metal sites and the Lewis basic sites have strong interactions with the C2molecules. The combination of these two kinds of sites lead to the highest C2H2-CH4selectivity of 127.1 as well as record high values for C2H4adsorption enthalpies. To mimic real-world conditions, breakthrough experiments were conducted on an equimolar four-component mixture containing C2H2, C2H4, C2H6and CH4at room temperature and 1 atm pressure. Our results show that Cu-TDPAT is a promising candidate for CH4capture and purification. This journal is

  9. High storage capacity and separation selectivity for C2hydrocarbons over methane in the metal-organic framework Cu-TDPAT

    KAUST Repository

    Liu, Kang

    2014-01-01

    We report on the storage capacity and separation selectivity of an rht-type metal-organic framework, Cu-TDPAT [TDPAT = 2,4,6-tris(3,5-dicarboxylphenylamino)-1,3,5-triazine], for C2hydrocarbons over CH4. Henry\\'s constant, the isosteric heat of adsorption and the ideal adsorbed solution theory selectivity were calculated based on single-component sorption isotherms. Theoretical calculations indicate that both the open metal sites and the Lewis basic sites have strong interactions with the C2molecules. The combination of these two kinds of sites lead to the highest C2H2-CH4selectivity of 127.1 as well as record high values for C2H4adsorption enthalpies. To mimic real-world conditions, breakthrough experiments were conducted on an equimolar four-component mixture containing C2H2, C2H4, C2H6and CH4at room temperature and 1 atm pressure. Our results show that Cu-TDPAT is a promising candidate for CH4capture and purification. This journal is

  10. Synthetic Swan band profile of (1,0) of 12C12C and (0,0) of 12C12C and 12C13C in comets

    International Nuclear Information System (INIS)

    Swamy, K.S.K.

    1987-01-01

    The statistical equilibrium calculations of the 12 C 13 C molecule based on the resonance fluorescence process give similar results to those of the normal molecule. Therefore the assumption that the observed intensities of bands of the normal and the isotopic molecule differ only by their abundance ratio is reasonable. The synthetic profile of the (1,0) Swan band of 12 C 13 C (0,0) band of 12 C 12 C and 12 C 13 C have been calculated. The relative merits of using the rotational structure of the (1,0) or (0,0) band for the determination of the isotopic ratio 12 C/ 13 C is discussed briefly. (author)

  11. Evidence for concerted ring opening and C-Br bond breaking in UV-excited bromocyclopropane.

    Science.gov (United States)

    Pandit, Shubhrangshu; Preston, Thomas J; King, Simon J; Vallance, Claire; Orr-Ewing, Andrew J

    2016-06-28

    Photodissociation of gaseous bromocyclopropane via its A-band continuum has been studied at excitation wavelengths ranging from 230 nm to 267 nm. Velocity-map images of ground-state bromine atoms (Br), spin-orbit excited bromine atoms (Br(∗)), and C3H5 hydrocarbon radicals reveal the kinetic energies of these various photofragments. Both Br and Br(∗) atoms are predominantly generated via repulsive excited electronic states in a prompt photodissociation process in which the hydrocarbon co-fragment is a cyclopropyl radical. However, the images obtained at the mass of the hydrocarbon radical fragment identify a channel with total kinetic energy greater than that deduced from the Br and Br(∗) images, and with a kinetic energy distribution that exceeds the energetic limit for Br + cyclopropyl radical products. The velocity-map images of these C3H5 fragments have lower angular anisotropies than measured for Br and Br(∗), indicating molecular restructuring during dissociation. The high kinetic energy C3H5 signals are assigned to allyl radicals generated by a minor photochemical pathway which involves concerted C-Br bond dissociation and cyclopropyl ring-opening following single ultraviolet (UV)-photon absorption. Slow photofragments also contribute to the velocity map images obtained at the C3H5 radical mass, but the corresponding slow Br atoms are not observed. These features in the images are attributed to C3H5 (+) from the photodissociation of the C3H5Br(+) molecular cation following two-photon ionization of the parent compound. This assignment is confirmed by 118-nm vacuum ultraviolet ionization studies that prepare the molecular cation in its ground electronic state prior to UV photodissociation.

  12. Negative ion emission at field electron emission from amorphous (alpha-C:H) carbon

    CERN Document Server

    Bernatskij, D P; Ivanov-Omskij, V I; Pavlov, V G; Zvonareva, T K

    2001-01-01

    The study on the electrons field emission from the plane cathode surface on the basis of the amorphous carbon film (alpha-C:H) is carried out. The methodology, making it possible to accomplish simultaneously the registration of the emission currents and visually observe the distribution of the emission centers on the plane emitter surface is developed. The analysis of the oscillograms indicated that apart from the proper electron constituent the negative ions of hydrogen (H sup - and H sub 2 sup -), carbon (C sup -) and hydrocarbon (CH sub n sup -) are observed. The ions emission is connected with the processes of formation and degradation of the local emission centers

  13. Polycyclic Aromatic Hydrocarbon Emission in Spitzer /IRS Maps. II. A Direct Link between Band Profiles and the Radiation Field Strength

    Energy Technology Data Exchange (ETDEWEB)

    Stock, D. J.; Peeters, E., E-mail: dstock84@gmail.com [Department of Physics and Astronomy, University of Western Ontario, London, ON, N6A 3K7 (Canada)

    2017-03-10

    We decompose the observed 7.7 μ m polycyclic aromatic hydrocarbon (PAH) emission complexes in a large sample of over 7000 mid-infrared spectra of the interstellar medium using spectral cubes observed with the Spitzer /IRS-SL instrument. In order to fit the 7.7 μ m PAH emission complex we invoke four Gaussian components, which are found to be very stable in terms of their peak positions and widths across all of our spectra, and subsequently define a decomposition with fixed parameters, which gives an acceptable fit for all the spectra. We see a strong environmental dependence on the interrelationships between our band fluxes—in the H ii regions all four components are intercorrelated, while in the reflection nebulae (RNs) the inner and outer pairs of bands correlate in the same manner as previously seen for NGC 2023. We show that this effect arises because the maps of RNs are dominated by emission from strongly irradiated photodissociation regions, while the much larger maps of H ii regions are dominated by emission from regions much more distant from the exciting stars, leading to subtly different spectral behavior. Further investigation of this dichotomy reveals that the ratio of two of these components (centered at 7.6 and 7.8 μ m) is linearly related to the UV-field intensity (log G {sub 0}). We find that this relationship does not hold for sources consisting of circumstellar material, which are known to have variable 7.7 μ m spectral profiles.

  14. Hydrogen insertion in titanium carbide based thin films (nc-TiC{sub x}/a-C:H) - comparison with bulk TiC{sub x}

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Julien; Jaoul, Cédric, E-mail: jaoul@ensil.unilim.fr; Glandut, Nicolas; Lefort, Pierre

    2016-08-01

    Nanocomposites composed of titanium carbide nanosized grains embedded in an amorphous hydrogenated carbon matrix (nc-TiC{sub x}/a-C:H) are prepared by hybrid Magnetron Sputtering - PECVD process using a titanium metal target and gaseous C{sub 6}H{sub 6}. By controlling the benzene flow rate, thin films with different carbon content are obtained. The structures of nc-TiC{sub x}/a-C:H materials are analyzed by X-ray diffraction, X-ray photoelectron and Raman spectroscopic methods. The electrochemical hydrogen insertion, as studied by cyclic voltammetry, strongly depends on the carbon content in the thin films. The correlation between the hydrogen insertion ability and the structure of materials are discussed. Furthermore, we show that the hydrogen insertion in these thin films reaches values much more significant than in bulk substoichiometric titanium carbide obtained by reactive sintering. - Highlights: • nc-TiC{sub x}/a-C:H thin films are prepared hybrid Magnetron Sputtering - PECVD process. • Different carbon contents are obtained by changing the hydrocarbon flowrate. • Expanded lattice parameter of the TiC{sub x} phase and a-C:H phase are observed. • Electrochemical hydrogen insertion strongly depends on the carbon content. • The maximum insertion is 22 times more important than bulk TiC{sub x}.

  15. THE INFRARED SPECTRA OF VERY LARGE IRREGULAR POLYCYCLIC AROMATIC HYDROCARBONS (PAHs): OBSERVATIONAL PROBES OF ASTRONOMICAL PAH GEOMETRY, SIZE, AND CHARGE

    International Nuclear Information System (INIS)

    Bauschlicher, Charles W.; Peeters, Els; Allamandola, Louis J.

    2009-01-01

    The mid-infrared (IR) spectra of six large, irregular polycyclic aromatic hydrocarbons (PAHs) with formulae (C 84 H 24 -C 120 H 36 ) have been computed using density functional theory (DFT). Trends in the dominant band positions and intensities are compared to those of large, compact PAHs as a function of geometry, size, and charge. Irregular edge moieties that are common in terrestrial PAHs, such as bay regions and rings with quartet hydrogens, are shown to be uncommon in astronomical PAHs. As for all PAHs comprised solely of C and H reported to date, mid-IR emission from irregular PAHs fails to produce a strong CC str band at 6.2 μm, the position characteristic of the important, class A astronomical PAH spectra. Earlier studies showed that inclusion of nitrogen within a PAH shifts this to 6.2 μm for PAH cations. Here we show that this band shifts to 6.3 μm in nitrogenated PAH anions, close to the position of the CC stretch in class B astronomical PAH spectra. Thus, nitrogenated PAHs may be important in all sources and the peak position of the CC stretch near 6.2 μm appears to directly reflect the PAH cation to anion ratio. Large irregular PAHs exhibit features at 7.8 μm but lack them near 8.6 μm. Hence, the 7.7 μm astronomical feature is produced by a mixture of small and large PAHs while the 8.6 μm band can only be produced by large compact PAHs. As with the CC str , the position and profile of these bands reflect the PAH cation to anion ratio.

  16. Detection of carbon monoxide (CO) in sooting hydrocarbon flames using femtosecond two-photon laser-induced fluorescence (fs-TPLIF)

    Science.gov (United States)

    Wang, Yejun; Kulatilaka, Waruna D.

    2018-01-01

    Ultrashort-pulse, femtosecond (fs)-duration, two-photon laser-induced fluorescence (fs-TPLIF) measurements of carbon monoxide (CO) are reported in rich, sooting hydrocarbon flames. CO-TPLIF detection using conventional nanosecond or picosecond lasers are often plagued by photochemical interferences, specifically under fuel-rich flames conditions. In the current study, we investigate the commonly used CO two-photon excitation scheme of the B1Σ+ ← X1Σ+ electronic transition, using approximately 100-fs-duration excitation pulses. Fluorescence emission was observed in the Ångström band originating from directly populated B1Σ+ upper state, as well as, in the third positive band from collisionally populated b3Σ+ upper state. The current work was focused on the Ångström band emission. Interference from nascent C2 emissions originating from hot soot particles in the flame could be reduced to a negligible level using a narrower detection gate width. In contrast, avoiding interferences from laser-generated C2 Swan-band emissions required specific narrowband spectral filtering in sooting flame conditions. The observed less than quadratic laser pulse energy dependence of the TPLIF signal suggests the presence of strong three-photon ionization and stimulated emission processes. In a range of CH4/air and C2H4/air premixed flames investigated, the measured CO fluorescence signals agree well with the calculated equilibrium CO number densities. Reduced-interference CO-TPLIF imaging in premixed C2H4/O2/N2 jet flames is also reported.

  17. The influence of collisional transfer effects on measured C2 Swan band transition probabilities

    International Nuclear Information System (INIS)

    Erman, P.

    1980-01-01

    Lifetime and relative intensities of the C 2 (d - a) Swan bands have been remeasured using the High Frequency Deflection technique, yielding tau(d, γ = 0-6) = 120 +- 4ns. With increasing pressure of the C 2 H 2 target gas strong second lifetime components occur revealing collisional transfers from other C 2 levles with rate coefficients around 6 X 10 -11 cm 3 s -1 mol -1 . These transfers are also observed with a number of other catalyser gases such as He, Ne, Ar, N 2 , and CO 2 . The transfer processes explain the considerably longer lifetimes reported in several earlier lifetime investigations and could be a clue to the formation mechanism of the carbon high pressure bands. (Auth.)

  18. OPTICAL CONSTANTS AND BAND STRENGTHS OF CH4:C2H6 ICES IN THE NEAR- AND MID-INFRARED

    International Nuclear Information System (INIS)

    Molpeceres, Germán; Ortigoso, Juan; Escribano, Rafael; Maté, Belén; Satorre, Miguel Angel; Millán, Carlos

    2016-01-01

    We present a spectroscopic study of methane–ethane ice mixtures. We have grown CH 4 :C 2 H 6 mixtures with ratios 3:1, 1:1, and 1:3 at 18 and 30 K, plus pure methane and ethane ices, and have studied them in the near-infrared (NIR) and mid-infrared (MIR) ranges. We have determined densities of all species mentioned above. For amorphous ethane grown at 18 and 30 K we have obtained a density of 0.41 and 0.54 g cm −3 , respectively, lower than a previous measurement of the density of the crystalline species, 0.719 g cm −3 . As far as we know this is the first determination of the density of amorphous ethane ice. We have measured band shifts of the main NIR methane and ethane features in the mixtures with respect to the corresponding values in the pure ices. We have estimated band strengths of these bands in the NIR and MIR ranges. In general, intensity decay in methane modes was detected in the mixtures, whereas for ethane no clear tendency was observed. Optical constants of the mixtures at 30 and 18 K have also been evaluated. These values can be used to trace the presence of these species in the surface of trans-Neptunian objects. Furthermore, we have carried out a theoretical calculation of these ice mixtures. Simulation cells for the amorphous solids have been constructed using a Metropolis Monte Carlo procedure. Relaxation of the cells and prediction of infrared spectra have been carried out at density functional theory level.

  19. 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

  20. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    Energy Technology Data Exchange (ETDEWEB)

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    Once considered the 'holy grail' of organometallic chemistry, synthetically useful reactions employing C-H bond activation have increasingly been developed and applied to natural product and drug synthesis over the past decade. The ubiquity and relative low cost of hydrocarbons makes C-H bond functionalization an attractive alternative to classical C-C bond forming reactions such as cross-coupling, which require organohalides and organometallic reagents. In addition to providing an atom economical alternative to standard cross - coupling strategies, C-H bond functionalization also reduces the production of toxic by-products, thereby contributing to the growing field of reactions with decreased environmental impact. In the area of C-C bond forming reactions that proceed via a C-H activation mechanism, rhodium catalysts stand out for their functional group tolerance and wide range of synthetic utility. Over the course of the last decade, many Rh-catalyzed methods for heteroatom-directed C-H bond functionalization have been reported and will be the focus of this review. Material appearing in the literature prior to 2001 has been reviewed previously and will only be introduced as background when necessary. The synthesis of complex molecules from relatively simple precursors has long been a goal for many organic chemists. The ability to selectively functionalize a molecule with minimal pre-activation can streamline syntheses and expand the opportunities to explore the utility of complex molecules in areas ranging from the pharmaceutical industry to materials science. Indeed, the issue of selectivity is paramount in the development of all C-H bond functionalization methods. Several groups have developed elegant approaches towards achieving selectivity in molecules that possess many sterically and electronically similar C-H bonds. Many of these approaches are discussed in detail in the accompanying articles in this special issue of Chemical Reviews. One approach

  1. Molecular dynamics simulation of chemical vapor deposition of amorphous carbon. Dependence on H/C ratio of source gas

    International Nuclear Information System (INIS)

    Ito, Atsushi M.; Takayama, Arimichi; Nakamura, Hiroaki; Saito, Seiki; Ohno, Noriyasu; Kajita, Shin

    2011-01-01

    By molecular dynamics simulation, the chemical vapor deposition of amorphous carbon onto graphite and diamond surfaces was studied. In particular, we investigated the effect of source H/C ratio, which is the ratio of the number of hydrogen atoms to the number of carbon atoms in a source gas, on the deposition process. In the present simulation, the following two source gas conditions were tested: one was that the source gas was injected as isolated carbon and hydrogen atoms, and the other was that the source gas was injected as hydrocarbon molecules. Under the former condition, we found that as the source H/C ratio increases, the deposition rate of carbon atoms decreases exponentially. This exponential decrease in the deposition rate with increasing source H/C ratio agrees with experimental data. However, under the latter molecular source condition, the deposition rate did not decrease exponentially because of a chemical reaction peculiar to the type of hydrocarbon in the source gas. (author)

  2. Direct measurements of rate constants for the reactions of CH3 radicals with C2H6, C2H4, and C2H2 at high temperatures.

    Science.gov (United States)

    Peukert, S L; Labbe, N J; Sivaramakrishnan, R; Michael, J V

    2013-10-10

    . Lastly, measurements of H-atoms from the reaction of CH3 with C2H2 provided direct unambiguous determinations of the rate constant for the dominant process under the present experimental conditions, the addition-elimination, CH3 + C2H2 → p-C3H4 + H (3b). Experimental rate constants for k(3b) can be represented by the Arrhenius equation k(3b)(T) = 5.16 × 10(-13) exp(-3852 K/T) cm(3) molecules(-1) s(-1) (1127 K ≤ T ≤ 1346 K). The present determinations for k(3b) represent the only direct measurements for this reaction and are also in good agreement with recent theoretical predictions. The present experimental k(3b) values were also used to derive rate constants, k(-3b), for the more extensively studied back-process, the reaction of H-atoms with propyne. The best fit Arrhenius equation, combining the presently derived k(-3b) values with a recent experimental determination for k(-3b), can be represented by k(-3b)(T) = 3.87 × 10(-11) exp(-1313 K/T) cm(3) molecules(-1) s(-1) (870 K ≤ T ≤ 1346 K). The present studies represent a novel implementation of the sensitive H-ARAS technique to measure rate constants for poorly characterized and difficult to isolate "slow" CH3-radical reactions with stable C2 hydrocarbons.

  3. INTERPRETING THE SUBTLE SPECTRAL VARIATIONS OF THE 11.2 AND 12.7 μ m POLYCYCLIC AROMATIC HYDROCARBON BANDS

    International Nuclear Information System (INIS)

    Shannon, M. J.; Stock, D. J.; Peeters, E.

    2016-01-01

    We report new properties of the 11 and 12.7 μ m emission complexes of polycyclic aromatic hydrocarbons (PAHs) by applying a Gaussian-based decomposition technique. Using high-resolution Spitzer Space Telescope data, we study in detail the spectral and spatial characteristics of the 11 and 12.7 μ m emission bands in maps of reflection nebulae NGC 7023 and NGC 2023 (north and south) and the star-forming region M17. Profile variations are observed in both the 11 and 12.7 μ m emission bands. We identify a neutral contribution to the traditional 11.0 μ m PAH band and a cationic contribution to the traditional 11.2 μ m band, the latter of which affects the PAH class of the 11.2 μ m emission in our sample. The peak variations of the 12.7 μ m complex are explained by the competition between two underlying blended components. The spatial distributions of these components link them to cations and neutrals. We conclude that the 12.7 μ m emission originates in both neutral and cationic PAHs, lending support to the use of the 12.7/11.2 intensity ratio as a charge proxy.

  4. INTERPRETING THE SUBTLE SPECTRAL VARIATIONS OF THE 11.2 AND 12.7 μ m POLYCYCLIC AROMATIC HYDROCARBON BANDS

    Energy Technology Data Exchange (ETDEWEB)

    Shannon, M. J.; Stock, D. J.; Peeters, E., E-mail: mshann3@uwo.ca [Department of Physics and Astronomy, University of Western Ontario, London, ON, N6A 3K7 (Canada)

    2016-06-20

    We report new properties of the 11 and 12.7 μ m emission complexes of polycyclic aromatic hydrocarbons (PAHs) by applying a Gaussian-based decomposition technique. Using high-resolution Spitzer Space Telescope data, we study in detail the spectral and spatial characteristics of the 11 and 12.7 μ m emission bands in maps of reflection nebulae NGC 7023 and NGC 2023 (north and south) and the star-forming region M17. Profile variations are observed in both the 11 and 12.7 μ m emission bands. We identify a neutral contribution to the traditional 11.0 μ m PAH band and a cationic contribution to the traditional 11.2 μ m band, the latter of which affects the PAH class of the 11.2 μ m emission in our sample. The peak variations of the 12.7 μ m complex are explained by the competition between two underlying blended components. The spatial distributions of these components link them to cations and neutrals. We conclude that the 12.7 μ m emission originates in both neutral and cationic PAHs, lending support to the use of the 12.7/11.2 intensity ratio as a charge proxy.

  5. Electrically active defects in n-type 4H- and 6H-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Doyle, J.P. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics]|[IBM Research Div., T.J. Watson Research Center, Yorktown Heights, NY (United States); Aboelfotoh, M.O. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics]|[North Carolina State Univ., Dept. of Materials Science and Engineering, Raleigh, NC (United States); Svensson, B.G. [Royal Inst. of Tech., Stockholm (Sweden). Dept. of Solid State Electronics

    1998-06-01

    We have found that in 6H-SiC, irradiation induced defects can become mobile at temperatures as low as 200 C. Through isochronal and isothermal annealing a level at 0.51 eV below the conduction band (with a capture cross-section of 2 x 10{sup -14} cm{sup 2}), appears to disassociate through a first order process with an activation energy of 1.45 eV+/-0.1 eV. In 4H-SiC, we have observed two irradiation induced defects assigned the positions 0.62 eV and 0.68 eV below E{sub c} (with capture cross-sections of 4 x 10{sup -14} cm{sup 2} and 5 x 10{sup -15} cm{sup 2}, respectively) which are found to be unstable at room temperature with time. SIMS analysis indicates that in both 6H- and 4H-SiC the defect levels are not due to the incorporation of the transition metals Ti, V, or Cr. Additionally, in both polytypes of SiC that were examined, the defects are found to display acceptor-like behavior as no evidence of a Poole-Frenkel shift was observed during DLTS measurements. (orig.) 10 refs.

  6. Theoretical studies on band structure and optical properties of 3C-SiC by FPLAPW

    International Nuclear Information System (INIS)

    Xu, P.; Xie, C.; Xu, F.; Pan, H.

    2004-01-01

    Full text: SiC has attracted more interests because of its great technological importance in microelectronic and photoelectronic devices. We have studied the band structure and optical properties of 3C-SiC by using a Full Potential Linearized Augmented Plane Waves (FPLAPW) method. The partial density of states (DOS) of Si and C atoms as well as the band structure of 3C-SiC are presented. The calculated band gap is 1.30eV, which is much less than the experimental value. It is attributed to a deficiency of the local density theory. The imaginary part of the dielectric function has been obtained directly from the band structure calculation. With the band gap correction, the real part of the dielectric function has been derived from the imaginary part by Kramers Kronig (K-K) dispersion relationship. The calculated results are in good agreement with the results measured by Petalas et al. by using ultraviolet spectroscopic ellipsometry in the photon energy range of 5eV-10eV. The band-to-band transition can be identified from the critical points exhibited in the calculated dielectric function, which is consistent with the experimental results of Petalas et al. The refractive index, extinction coefficient and reflectivity have also been calculated from obtained dielectric function, which are in agreement with the experimental results of Logothetidis and Lambrecht

  7. Absolute linestrengths in the H2O2 nu6 band

    Science.gov (United States)

    May, Randy D.

    1991-01-01

    Absolute linestrengths at 295 K have been measured for selected lines in the nu6 band of H2O2 using a tunable diode-laser spectrometer. H2O2 concentrations in a flowing gas mixture were determined by ultraviolet (uv) absorption at 254 nm using a collinear infrared (ir) and uv optical arrangement. The measured linestrengths are approx. 60 percent larger than previously reported values when absorption by hot bands in H2O2 is taken into account.

  8. The responses of the four main substitution mechanisms of H in olivine to H2O activity at 1050 °C and 3 GPa

    Science.gov (United States)

    Tollan, Peter M. E.; Smith, Rachel; O'Neill, Hugh St. C.; Hermann, Jörg

    2017-12-01

    The water solubility in olivine ({C}_{{H}_2O}) has been investigated at 1050 °C and 3 GPa as a function of water activity ({a}_{{H}_2O}) at subsolidus conditions in the piston-cylinder apparatus, with {a}_{{H}_2O} varied using H2O-NaCl fluids. Four sets of experiments were conducted to constrain the effect of {a}_{{H}_2O} on the four main substitution mechanisms. The experiments were designed to grow olivine in situ and thus achieve global equilibrium (G-type), as opposed to hydroxylating olivine with a pre-existing point-defect structure and impurity content (M-type). Olivine grains from the experiments were analysed with polarised and unpolarised FTIR spectroscopy, and where necessary, the spectra have been deconvoluted to quantify the contribution of each substitution mechanism. Olivine buffered with magnesiowüstite produced absorbance bands at high wavenumbers ranging from 3566 to 3612 cm-1. About 50% of the total absorbance was found parallel to the a-axis, 30% parallel to the b-axis and 20% parallel to the c-axis. The total absorbance and hence water concentration in olivine follows the relationship of {C}_{{H}_2O}∝ {a_{{H}_2O}}^2 , indicating that the investigated defect must involve four H atoms substituting for one Si atom (labelled as [Si]). Forsterite buffered with enstatite produced an absorbance band exclusively aligned parallel the c-axis at 3160 cm-1. The band position, polarisation and observed {C}_{{H}_2O}∝ {a}_{{H}_2O} are consistent with two H substituting for one Mg (labelled as [Mg]). Ti-doped, enstatite-buffered olivine displays absorption bands, and polarisation typical of Ti-clinohumite point defects where two H on the Si-site are charge-balanced by one Ti on a Mg-site (labelled as [Ti]). This is further supported by {C}_{{H}_2O}∝ {a}_{{H}_2O} and a 1:1 relationship of molar H2O and TiO2 in these experiments. Sc-doped, enstatite-buffered experiments display a main absorption band at 3355 cm-1 with {C}_{{H}_2O}∝ {a_{{H}_2O}}^{0

  9. α+12C rotational bands in 16O

    Directory of Open Access Journals (Sweden)

    Katsuma M.

    2014-03-01

    Full Text Available The total quantum number N of the α+12C rotational bands in 16O is determined by a study of α+12C elastic scattering. The 8+ and 9− states are found around the excitation energy Ex = 30 MeV and they are the member of the known rotational bands. At the same time, the 02+ state (Ex = 6.05 MeV is found to be dominated by N = 8.

  10. C60H- an intermediate in the photochemical reduction of C60 fullerene with triethylamine

    International Nuclear Information System (INIS)

    Stasko, A.; Brezova, V.; Neudeck, A.; Bartl, A.; Dunsch, L.

    1999-01-01

    The systematic investigations on the photo reduction of C 60 fullerene and its derivatives using triethylamine and TiO 2 donors, and also other techniques, verified the formation of C 60 .- . Formation of the mono-anion a narrow EPR line (pp A = 0.1 mT) was observed. During a continuous irradiation line A is replaced with line B having g B - 2.0006 and pp B = 0.04 mT which also vanished under prolonged irradiation. But lines A and B repeated after stopping irradiation. This unusual behaviour was re-investigated in analogous EPR-NIR experiments using now a rapid NIR spectrometer. The band at 996 nm was assigned to C 60 H - . The mechanism of C 60 H - formation is discussed

  11. New Line Lists for planetological applications: HC3N and C4H2

    Science.gov (United States)

    Jolly, A.; Benilan, Y.; Fayt, A.

    2009-04-01

    The Composite Infrared Spectrometer (CIRS) on-board Cassini, after four years of operation in Saturnian orbit with over thirty close fly-bys of Titan, has obtained spectra in the far and mid-infrared with a spectral resolution of 0.5 cm-1. Mismatch between observed spectra and model spectra obtained from the available line lists has led us to study the bending bands of HC3N and C4H2, the longest carbon chains observed on Titan. Our experimental study for HC3N (Jolly et al. 2007, J.Mol.Spec) has shown that band intensities had to be revised and that including hot bands with lower level as high as 1300 cm-1 was necessary to model our experimental spectra at 0.5 cm-1 resolution. A new extended line list could be obtained by fitting high resolution data with the help of a global analysis. This line list was made available to the astronomers of the CIRS team and will be included in the next version of the GEISA data base. Thanks to the precision of the new spectroscopic data, 13C isotopologues of HC3N have been detected and quantified for the first time in the atmosphere of Titan (Jennings et al. 2008, ApJL). Search for the 15N isotopologues of HC3N will also be presented. The proportion of hot bands is even more important for C4H2 than for HC3N and a new extended line list was absolutely necessary to improve the CIRS spectral analysis. We will present a new line list and show comparison between synthetic spectra and experimental spectra of C4H2 obtained between 193 and 296 K at 0.1 and 0.5 cm-1 resolution. Comparison of model spectra to CIRS observations of C4H2 at 220 and 630 cm-1 will also be presented. Detections of hot bands and isotopes in cold environments such as Titan will be emphasized.

  12. Electron stimulated desorption of cations from C sub 6 H sub 6 and C sub 6 H sub 1 sub 2 molecules adsorbed on Pt(1 1 1) and Ar spacer layer

    CERN Document Server

    Kawanowa, H; Hanatani, K; Gotoh, Y; Souda, R

    2003-01-01

    Mechanisms of electron stimulated cation desorption have been investigated for adsorbed C sub 6 H sub 6 and C sub 6 H sub 1 sub 2 molecules on the Pt(1 1 1) surface and the Ar spacer layer formed on it. The ion yields from the molecules adsorbed on the Ar spacer layer are highly enhanced at the smallest coverage and decay steeply with increasing coverage. No such enhancement was observed when they are adsorbed directly on the Pt(1 1 1) substrate. This behavior is explained in terms of the Coulombic repulsion of cations confined in nanoclusters, together with the delocalization of valence holes on the Pt(1 1 1) substrate as well as in the multilayer hydrocarbons. The holes in the C sub 6 H sub 6 molecule are more delocalized than those in the C sub 6 H sub 1 sub 2 molecule due to the overlap of pi orbitals.

  13. 40 CFR Table 2c to Subpart E of... - Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 5 2010-07-01 2010-07-01 false Reactivity Factors for Aromatic Hydrocarbon Solvent Mixtures 2C Table 2C to Subpart E of Part 59 Protection of Environment ENVIRONMENTAL... Hydrocarbon Solvent Mixtures Bin Boiling range (degrees F) Criteria Reactivityfactor 21 280-290 Aromatic...

  14. EFFECT OF OXYGENATED HYDROCARBON ADDITIVES ON EXHAUST EMISSIONS OF A DIESEL ENGINE

    OpenAIRE

    C. Sundar Raj; S. Sendilvelan

    2010-01-01

    The use of oxygenated fuels seems to be a promising solution for reducing particulate emissions in existing and future diesel motor vehicles. In this work, the influence of the addition of oxygenated hydrocarbons to diesel fuels on performance and emission parameters of a diesel engine is experimentally studied. 3-Pentanone (C5H10O) and Methyl anon (C7H12O) were used as oxygenated fuel additives. It was found that the addition of oxygenated hydrocarbons reduced the production of soot precurs...

  15. Electronic Spectroscopy of Organic Cations in Gas-Phase at 6 K:IDENTIFICATION of C60/^+ in the Interstellar Medium

    Science.gov (United States)

    Maier, John P.

    2016-06-01

    After the discovery of C60, the question of its relevance to the diffuse interstellar bands was raised. In 1987 H. W. Kroto wrote: ``The present observations indicate that C60 might survive in the general interstellar medium (probably as the ion C60/^+)''. In 1994 two diffuse interstellar bands (DIBs) at 9632 and 9577 Å/ were detected and proposed to be the absorption features of C60/^+. This was based on the proximity of these wavelengths to the two prominent absorption bands of C60/^+ measured by us in a neon matrix in 1993. Confirmation of the assignment required the gas phase spectrum of C60/^+ and has taken 20 years. The approach which succeeded confines C60/^+ ions in a radiofrequency trap, cools them by collisions with high density helium allowing formation of the weakly bound C60/^+--He complexes below 10 K. The photofragmentation spectrum of this mass-selected complex is then recorded using a cw laser. In order to infer the position of the absorption features of the bare C60/^+ ion, measurements on C60/^+--He_2 were also made. The spectra show that the presence of a helium atom shifts the absorptions by less than 0.2 Å, much less than the accuracy of the astronomical measurements. The two absorption features in the laboratory have band maxima at 9632.7(1) and 9577.5(1) Å, exactly the DIB wavelengths, and the widths and relative intensities agree. This leads to the first definite identification of now five bands among the five hundred or so DIBs known and proves the presence of gaseous C60/^+ in the interstellar medium. The absorption of cold C70/^+ has also been obtained by this approach. In addition the electronic spectra of a number of cations of astrophysical interest ranging from those of carbon chains including oxygen to larger polycyclic aromatic hydrocarbon could be measured in the gas phase at around 10 K in the ion trap but using an excitation-dissociation approach. The implications of these laboratory spectra in relation to the diffuse

  16. Hydrodeoxygenation of the angelica lactone dimer, a cellulose-based feedstock: simple, high-yield synthesis of branched C7 -C10 gasoline-like hydrocarbons.

    Science.gov (United States)

    Mascal, Mark; Dutta, Saikat; Gandarias, Inaki

    2014-02-10

    Dehydration of biomass-derived levulinic acid under solid acid catalysis and treatment of the resulting angelica lactone with catalytic K2 CO3 produces the angelica lactone dimer in excellent yield. This dimer serves as a novel feedstock for hydrodeoxygenation, which proceeds under relatively mild conditions with a combination of oxophilic metal and noble metal catalysts to yield branched C7 -C10 hydrocarbons in the gasoline volatility range. Considering that levulinic acid is available in >80 % conversion from raw biomass, a field-to-tank yield of drop-in, cellulosic gasoline of >60 % is possible. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Hydrocarbon-soluble calcium hydride: a "worker-bee" in calcium chemistry.

    Science.gov (United States)

    Spielmann, Jan; Harder, Sjoerd

    2007-01-01

    The reactivity of the hydrocarbon-soluble calcium hydride complex [{CaH(dipp-nacnac)(thf)}(2)] (1; dipp-nacnac=CH{(CMe)(2,6-iPr(2)C(6)H(3)N)}(2)) with a large variety of substrates has been investigated. Addition of 1 to C=O and C=N functionalities gave easy access to calcium alkoxide and amide complexes. Similarly, reduction of the C[triple chemical bond]N bond in a cyanide or an isocyanide resulted in the first calcium aldimide complexes [Ca{N=C(H)R}(dipp-nacnac)] and [Ca{C(H)=NR}(dipp-nacnac)], respectively. Complexation of 1 with borane or alane Lewis acids gave the borates and alanates as contact ion pairs. In reaction with epoxides, nucleophilic ring-opening is observed as the major reaction. The high reactivity of hydrocarbon-soluble 1 with most functional groups contrasts strongly with that of insoluble CaH(2), which is essentially inert and is used as a common drying agent. Crystal structures of the following products are presented: [{Ca{OC(H)Ph(2)}(dipp-nacnac)}(2)], [{Ca{N=C(H)Ph}(dipp-nacnac)}(2)], [{Ca{C(H)=NC(Me)(2)CH(2)C(Me)(3)}(dipp-nacnac)}(2)], [{Ca{C(H)=NCy}(dipp-nacnac)}(2)], [Ca(dipp-nacnac)(thf)](+)[H(2)BC(8)H(14)](-) and [{Ca(OCy)(dipp-nacnac)}(2)]. The generally smooth and clean conversions of 1 with a variety of substrates and the stability of most intermediates against ligand exchange make 1 a valuable key precursor in the syntheses of a wide variety of beta-diketiminate calcium complexes.

  18. Study of the properties of plasma of CH4/H2 and its interactions with liquid hydrocarbons

    International Nuclear Information System (INIS)

    Gambus, G.; Patino, P.

    2003-01-01

    Properties of a CH 4 /H 2 plasma, as a reducing agent in heterogeneous reactions with one olefin hydrocarbon, were studied in this work. The characterization of the plasma was carried out by means of optical emission spectroscopy, by varying the gas composition (CH 4 /H 2 ) and the working pressure, in a radio frequency discharge. The variation of the relative populations of H and CH radicals was followed, at pressures between 0.001 and 0.4 mbar and CH 4 /H 2 proportions 1:1 to 1:5. The conditions selected for treating squalene were 0.1 mbar and CH 4 /H 2 of 1:5. Although these conditions did not yield the maximum intensities for the two signals, these were strong enough and black carbon and polymers ceased from being produced under this regime. At 5 C, more than two double bonds per molecule, out of six, were hydrogenated with the plasma in 12 hours. (Author)

  19. Application of compound specific 13C isotope investigations of chlorinated hydrocarbons in contaminated groundwaters

    International Nuclear Information System (INIS)

    Osenbrueck, K.; Heidinger, M.; Voropaev, A.; Ertl, S.; Eichinger, L.

    2002-01-01

    Full text: Chlorinated hydrocarbons are one of the most common pollutants found in groundwater. Due to complex contamination situations with overlapping contamination plumes the assessment of the organic contaminants requires the installation of expensive observation wells and high analytical effort. Here the determination of the stable isotope ratio 13 C/ 12 C of the organic compounds offers a promising and efficient tool to investigate the origin and the biodegradation characteristics of the chlorinated hydrocarbons in groundwater. The application of the method is based on characteristic isotope fingerprints, differing in chlorinated solvents. This isotope fingerprint is derived from different production pathways and is not influenced by transport or by retardation processes in the underground. Due to the fact, that two different contaminations can easily be distinguished by isotope ratios, an improved distinction of spatially and temporally different contamination plumes might be possible. In course of biologically mediated degradation processes a shift of the isotope ratios between the precursor and the product can frequently be observed, such as with denitrification or sulfate reduction processes. The isotope fractionation is due to a preferential reaction of the bonds formed by the lighter isotopes and leads to a progressive enrichment of the heavy isotopes in the precursor while the product becomes depleted in the heavy isotopes. Biological degradation of the highly chlorinated hydrocarbons is due to a co-metabolic dechlorinisation. Tetrachloroethene (PCE) for example degrades under anoxic conditions via trichloroethene (TCE) to cis-1,2-dichloroethene (cDCE). Subsequent degradation to vinyl chloride (VC) and ethene may appear under aerobic as well as reducing environments depending on the site specific conditions. In several laboratory studies it has been shown, that biodegradation of the chlorinated hydrocarbons is accompanied by an isotope fractionation of

  20. The Effects of Hydrogen Band EMIC Waves on Ring Current H+ Ions

    Science.gov (United States)

    Wang, Zhiqiang; Zhai, Hao; Gao, Zhuxiu

    2017-12-01

    Hydrogen band electromagnetic ion cyclotron (EMIC) waves have received much attention recently because they are found to frequently span larger spatial areas than the other band EMIC waves. Using test particle simulations, we study the nonlinear effects of hydrogen band EMIC waves on ring current H+ ions. A dimensionless parameter R is used to characterize the competition between wave-induced and adiabatic motions. The results indicate that there are three regimes of wave-particle interactions for typical 35 keV H+ ions at L = 5: diffusive (quasi-linear) behavior when αeq ≤ 35° (R ≥ 2.45), the nonlinear phase trapping when 35° < αeq < 50° (0.75 < R < 2.45), and both the nonlinear phase bunching and phase trapping when αeq ≥ 50° (R ≤ 0.75). The phase trapping can transport H+ ions toward large pitch angle, while the phase bunching has the opposite effect. The phase-trapped H+ ions can be significantly accelerated (from 35 keV to over 500 keV) in about 4 min and thus contribute to the formation of high energy components of ring current ions. The results suggest that the effect of hydrogen band EMIC waves is not ignorable in the nonlinear acceleration and resonance scattering of ring current H+ ions.

  1. Thermochemical Properties Enthalpy, Entropy, and Heat Capacity of C1-C4 Fluorinated Hydrocarbons: Fluorocarbon Group Additivity.

    Science.gov (United States)

    Wang, Heng; Castillo, Álvaro; Bozzelli, Joseph W

    2015-07-23

    Enthalpies of formation for 14 C2–C4 fluorinated hydrocarbons were calculated with nine popular ab initio and density functional theory methods: B3LYP, CBS-QB3, CBS-APNO, M06, M06-2X, ωB97X, G4, G4(MP2)-6X, and W1U via several series of isodesmic reactions. The recommended ideal gas phase ΔHf298° (kcal mol(–1)) values calculated in this study are the following: −65.4 for CH3CH2F; −70.2 for CH3CH2CH2F; −75.3 for CH3CHFCH3; −75.2 for CH3CH2CH2CH2F; −80.3 for CH3CHFCH2CH3; −108.1 for CH2F2; −120.9 for CH3CHF2; −125.8 for CH3CH2CHF2; −133.3 for CH3CF2CH3; −166.7 for CHF3; −180.5 for CH3CF3; −185.5 for CH3CH2CF3; −223.2 for CF4; and −85.8 for (CH3)3CF. Entropies (S298° in cal mol(–1) K(–1)) were estimated using B3LYP/6-31+G(d,p) computed frequencies and geometries. Rotational barriers were determined and hindered internal rotational contributions for S298°, and Cp(T) were calculated using the rigid rotor harmonic oscillator approximation, with direct integration over energy levels of the intramolecular rotation potential energy curve. Thermochemical properties for the fluorinated carbon groups C/C/F/H2, C/C2/F/H, C/C/F2/H, C/C2/F2, and C/C/F3 were derived from the above target fluorocarbons. Previously published enthalpies and groups for 1,2-difluoroethane, 1,1,2-trifluoroethane, 1,1,2,2-tetrafluoroethane, 1,1,1,2-tetrafluoroethane, 1,1,1,2,2-pentafluoroethane, 2-fluoro-2-methylpropane that were previously determined via work reaction schemes are revised using updated reference species values. Standard deviations are compared for the calculation methods.

  2. THE GALACTIC R CORONAE BOREALIS STARS: THE C2 SWAN BANDS, THE CARBON PROBLEM, AND THE 12C/13C RATIO

    International Nuclear Information System (INIS)

    Hema, B. P.; Pandey, Gajendra; Lambert, David L.

    2012-01-01

    Observed spectra of R Coronae Borealis (RCB) and hydrogen-deficient carbon (HdC) stars are analyzed by synthesizing the C 2 Swan bands (1, 0), (0, 0), and (0, 1) using our detailed line list and the Uppsala model atmospheres. The (0, 1) and (0, 0) C 2 bands are used to derive the 12 C abundance, and the (1, 0) 12 C 13 C band to determine the 12 C/ 13 C ratios. The carbon abundance derived from the C 2 Swan bands is about the same for the adopted models constructed with different carbon abundances over the range 8.5 (C/He = 0.1%) to 10.5 (C/He = 10%). Carbon abundances derived from C I lines are about a factor of four lower than the carbon abundance of the adopted model atmosphere over the same C/He interval, as reported by Asplund et al., who dubbed the mismatch between adopted and derived C abundance as the 'carbon problem'. In principle, the carbon abundances obtained from C 2 Swan bands and that assumed for the model atmosphere can be equated for a particular choice of C/He that varies from star to star. Then, the carbon problem for C 2 bands is eliminated. However, such C/He ratios are in general less than those of the extreme helium stars, the seemingly natural relatives to the RCB and HdC stars. A more likely solution to the C 2 carbon problem may lie in a modification of the model atmosphere's temperature structure. The derived carbon abundances and the 12 C/ 13 C ratios are discussed in light of the double degenerate and the final flash scenarios.

  3. ExoMol molecular line lists - XXVII: spectra of C2H4

    Science.gov (United States)

    Mant, Barry P.; Yachmenev, Andrey; Yurchenko, Jonathan Tennyson Sergei N.

    2018-05-01

    A new line list for ethylene, 12C21H4 is presented. The line list is based on high level ab initiopotential energy and dipole moment surfaces. The potential energy surface is refined by fitting to experimental energies. The line list covers the range up to 7000 cm-1(1.43 μm) with all ro-vibrational transitions (50 billion) with the lower state below 5000 cm-1included and thus should be applicable for temperatures up to 700 K. A technique for computing molecular opacities from vibrational band intensities is proposed and used to provide temperature dependent cross sections of ethylene for shorter wavelength and higher temperatures. When combined with realistic band profiles (such as the proposed three-band model), the vibrational intensity technique offers a cheap but reasonably accurate alternative to the full ro-vibrational calculations at high temperatures and should be reliable for representing molecular opacities. The C2H4 line list, which is called MaYTY, is rmade available in electronic form from the CDS (http://cdsarc.u-strasbg.fr) and ExoMol (www.exomol.com) databases.

  4. Analysis of petroleum hydrocarbons in soil from view of bioremediation process

    International Nuclear Information System (INIS)

    Mracnova, R.; Sojak, L.; Kubinec, R.; Kraus, A.; Eszenyiova, A.; Ostrovsky, I.

    2002-01-01

    The pollution of the environment by petroleum hydrocarbons is the most often pollution of them all. Nevertheless, hydrocarbons present in environment can be not only of petroleum or anthropogenic origin, but of biogenic as well. Typically the hydrocarbons are presented in the environment as very complex mixtures of individual compounds with very different chemical structure, wide range of the boiling points (∼800 0 C) as well as with the wide range of the number of carbon atoms. Immediately they are spread in any environmental matrix the complex physical, chemical and biochemical reactions start. A lot of methods have been developed and new are permanently in progress for the monitoring and control of petroleum hydrocarbons contamination and/or soils bioremediation. Generally, all methods by whose the hydrocarbons contaminants are determined in GC-FID system do not satisfied recommendations for enough accurate and precise results. Hyphenation of capillary gas chromatography and mass selective detector operated in the selective ion monitoring mode essentially allows detailed specification of non-polar extractable hydrocarbons. Isoprenoid alkanes, alkylhomologues of aromatic hydrocarbons and polycyclic alkanes hopanes-like were investigated as markers for recognition of petroleum and biogenic contamination. C 30 17α(H)21β(H)-hopane (C 30 -hopane) seems to be a suitable marker to identify hydrocarbons origin, to determine composting rates for nonpolar extractable compounds and to calculate real content of non-polar extractable compounds in final composting status on the assumption that the contamination is of mineral oil type. This is the survey into the results obtained in this field published in the literature as well as reached in our laboratory. (author)

  5. The C-C-C bending modes of PAHs : a new emission plateau from 15 to 20 mu m

    NARCIS (Netherlands)

    Van Kerckhoven, C; Hony, S; Peeters, E; Tielens, A. G. G. M.; Allamandola, LJ; Hudgins, DM; Cox, P; Roelfsema, PR; Voors, RHM; Waelkens, C; Waters, LBFM; Wesselius, PR

    We have obtained 2.5-45 mu m spectra of a sample of compact H II regions, YSOs and evolved stars in order to study the origin and evolution of interstellar Polycyclic Aromatic Hydrocarbon molecules (PAHs). Besides the well-known, strong PAH bands at 3.3, 6.2, 7.7, 8.6, and 11.2 mu m, these spectra

  6. Chemical deactivation of Ag/Al2O3 by sulphur for the selective reduction of NOx using hydrocarbons

    International Nuclear Information System (INIS)

    Houel, Valerie; Millington, Paul; Pollington, Stephen; Poulston, Stephen; Rajaram, Raj R.; Tsolakis, Athanasios

    2006-01-01

    The hydrocarbon-SCR activity of Ag/Al 2 O 3 catalysts is severely deactivated after low temperature (350 o C) sulphur ageing in the form of SO 2 exposure. Catalysts aged with SO 2 , NO and hydrocarbon present accumulate a significantly larger amount of SO 4 2- than those aged in the presence of only O 2 , H 2 O and SO 2 when exposed to an equivalent amount of S. Following sulphation of the catalyst most of the sulphur can be removed by a high temperature (600 o C) treatment in the reaction gas. Regeneration in the absence of hydrocarbon is ineffective. The hydrocarbon-SCR activity of the sulphated catalyst using model hydrocarbons such as n-C 8 H 18 can be restored after a high temperature pre-treatment in the reaction gases. However this desulphation process fails to regenerate the hydrocarbon-SCR activity when diesel fuel is used in the activity test. TPR studies show that a major fraction of the sulphur species present in the catalyst is removed by such pre-treatment, but the slight residual amount of sulphur is sufficient to inhibit the activation of the diesel fuel on the Ag catalyst. The nature of the hydrocarbon species present for the hydrocarbon-SCR reaction and during the regeneration strongly influences the activity. In general aromatics such as C 7 H 8 are less effective for reducing NO x and regenerating the sulphated catalyst. (author)

  7. Co-conversion of Ethane and Methanol into Higher Hydrocarbons over Ga/H-ZSM-5, Mo/H-ZSM-5 and Ga-Mo/H-ZSM-5

    DEFF Research Database (Denmark)

    Mentzel, Uffe Vie; Rovik, Anne; Christensen, Claus H.

    2009-01-01

    Ethane and methanol are converted simultaneously over Ga/H-ZSM-5, Mo/H-ZSM-5 and Ga-Mo/H-ZSM-5 to produce light olefins and aromatics. The presence of methanol in the reactant stream is intended to facilitate activation of ethane following literature reports on co-conversion of methane and methan...... and in the carbonaceous compounds deposited on the catalysts. This indicates that both reactants take part in the formation of the hydrocarbon pool, which is the origin of all products....

  8. Preparation and comparison of a-C:H coatings using reactive sputter techniques

    Energy Technology Data Exchange (ETDEWEB)

    Keunecke, M., E-mail: martin.keunecke@ist.fraunhofer.d [Fraunhofer Institute for Surface Engineering and Thin Films (IST), Braunschweig (Germany); Weigel, K.; Bewilogua, K. [Fraunhofer Institute for Surface Engineering and Thin Films (IST), Braunschweig (Germany); Cremer, R.; Fuss, H.-G. [CemeCon AG, Wuerselen (Germany)

    2009-12-31

    Amorphous hydrogenated carbon (a-C:H) coatings are widely used in several industrial applications. These coatings commonly will be prepared by plasma activated chemical vapor deposition (PACVD). The main method used to prepare a-C:H coating in industrial scale is based on a glow discharge in a hydrocarbon gas like acetylene or methane using a substrate electrode powered with medium frequency (m.f. - some 10 to 300 kHz). Some aims of further development are adhesion improvement, increase of hardness and high coating quality on complex geometries. A relatively new and promising technique to fulfil these requirements is the deposition of a-C:H coatings by a reactive d.c. magnetron sputter deposition from a graphite target with acetylene as reactive gas. An advancement of this technique is the deposition in a pulsed magnetron sputter process. Using these three mentioned techniques a-C:H coatings were prepared in the same deposition machine. For adhesion improvement different interlayer systems were applied. The effect of different substrate bias voltages (d.c. and d.c. pulse) was investigated. By applying the magnetron sputter technique in the d.c. pulse mode, plastic hardness values up to 40 GPa could be reached. Besides hardness other mechanical properties like resistance against abrasive wear were measured and compared. Cross sectional SEM images showed the growth structure of the coatings.

  9. Hydrocarbon isotope detection by elastic peak electron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kostanovskiy, I.A., E-mail: kostanovskiyia@gmail.com [National Research University MPEI, Krasnokazarmennaya 14, 111250 Moscow (Russian Federation); Afanas’ev, V.P. [National Research University MPEI, Krasnokazarmennaya 14, 111250 Moscow (Russian Federation); Naujoks, D. [Max-Planck-Institut für Plasmaphysik, Teilinstitut Greifswald, Wendelsteinstraße 1, D-17491 Greifswald (Germany); Mayer, M. [Max-Planck-Institut für Plasmaphysik, D-85748 Garching (Germany)

    2015-07-15

    Highlights: • PCVD hydrocarbon coatings containing protium or deuterium are analyzed via NRA, ERD, XPS and EPES. • EPES analysis with modern electron energy analyzer SPECS Phoibos 225 shows a clear signal from the hydrogen isotopes. • Different primary energies and scattering angles help to quantify isotope content from EPES spectra. - Abstract: Experimental results on the hydrocarbon isotope analysis by elastic peak electron spectroscopy are presented. Amorphous hydrocarbon samples (a-C:H, a-C:D) are prepared by PCVD and analyzed by nuclear reaction analysis (NRA), elastic recoil detection analysis (ERD), X-ray photoelectron spectroscopy (XPS) and elastic peak electron spectroscopy (EPES). Electron energy spectra show a clear signal from the hydrogen isotopes deuterium and protium. Different incident energies and scattering geometries help to resolve plasmon and elastic energy losses.

  10. Hydrocarbon isotope detection by elastic peak electron spectroscopy

    International Nuclear Information System (INIS)

    Kostanovskiy, I.A.; Afanas’ev, V.P.; Naujoks, D.; Mayer, M.

    2015-01-01

    Highlights: • PCVD hydrocarbon coatings containing protium or deuterium are analyzed via NRA, ERD, XPS and EPES. • EPES analysis with modern electron energy analyzer SPECS Phoibos 225 shows a clear signal from the hydrogen isotopes. • Different primary energies and scattering angles help to quantify isotope content from EPES spectra. - Abstract: Experimental results on the hydrocarbon isotope analysis by elastic peak electron spectroscopy are presented. Amorphous hydrocarbon samples (a-C:H, a-C:D) are prepared by PCVD and analyzed by nuclear reaction analysis (NRA), elastic recoil detection analysis (ERD), X-ray photoelectron spectroscopy (XPS) and elastic peak electron spectroscopy (EPES). Electron energy spectra show a clear signal from the hydrogen isotopes deuterium and protium. Different incident energies and scattering geometries help to resolve plasmon and elastic energy losses

  11. REACTIONS FORMING Cn=2,10(0,+), Cn=2,4H(0,+), AND C3H2(0,+) IN THE GAS PHASE: SEMIEMPIRICAL BRANCHING RATIOS

    International Nuclear Information System (INIS)

    Chabot, M.; Jallat, A.; Béroff, K.; Gratier, P.; Wakelam, V.

    2013-01-01

    The aim of this paper is to provide a new set of branching ratios (BRs) for interstellar and planetary chemical networks based on a semiempirical model. We applied, instead of zero-order theory (i.e., only the most exoergic decaying channel is considered), a statistical microcanonical model based on the construction of breakdown curves and using experimental high velocity collision BRs for their parameterization. We applied the model to ion-molecule, neutral-neutral, and ion-pair reactions implemented in the few popular databases for astrochemistry, such as KIDA, OSU, and UMIST. We studied the reactions of carbon and hydrocarbon species with electrons, He + , H + , CH + , CH, C, and C + leading to intermediate complexes of the type C n=2,10 , C n=2,4 H, C 3 H 2 , C n=2,10 + , C n=2,4 H + , or C 3 H 2 + . Comparison of predictions with measurements supports the validity of the model. Huge deviations with respect to database values are often obtained. Effects of the new BRs in time-dependent chemistry for dark clouds and for photodissociation region chemistry with conditions similar to those found in the Horsehead Nebula are discussed.

  12. Cobalt/N-Hydroxyphthalimide(NHPI)-Catalyzed Aerobic Oxidation of Hydrocarbons with Ionic Liquid Additive

    DEFF Research Database (Denmark)

    Mahmood, Sajid; Xu, Bao Hua; Ren, Tian Lu

    2018-01-01

    A highly efficient and solvent-free system of cobalt/NHPI-catalyzed aerobic oxidation of hydrocarbons was developed using imidazolium-based ionic liquid (IL) as an additive. These amphipathic ILs were found self-assemble at the interface between the organic hydrocarbons and the aqueous phase...... the optimum reactivity. Besides, the interfacial boundary between aqueous and organic phase composed by C2-alkylated imidazolium ILs, such as [bdmim]SbF6 and [C12dmim]SbF6, not only has ternary aggregates (hydrocarbons/IL/H2O) of higher stability but renders O2 a faster diffusion rate and higher concentration......, thereby offering a high reactivity of the protocol towards hydrocarbon oxidation....

  13. Irradiation of 4H-SiC UV detectors with heavy ions

    International Nuclear Information System (INIS)

    Kalinina, E. V.; Lebedev, A. A.; Bogdanova, E.; Berenquier, B.; Ottaviani, L.; Violina, G. N.; Skuratov, V. A.

    2015-01-01

    Ultraviolet (UV) photodetectors based on Schottky barriers to 4H-SiC are formed on lightly doped n-type epitaxial layers grown by the chemical vapor deposition method on commercial substrates. The diode structures are irradiated at 25°C by 167-MeV Xe ions with a mass of 131 amu at a fluence of 6 × 10 9 cm −2 . Comparative studies of the optical and electrical properties of as-grown and irradiated structures with Schottky barriers are carried out in the temperature range 23–180°C. The specific features of changes in the photosensitivity and electrical characteristics of the detector structures are accounted for by the capture of photogenerated carriers into traps formed due to fluctuations of the conduction-band bottom and valence-band top, with subsequent thermal dissociation

  14. Hydrocarbons in the millipede Graphidostreptus tumuliporus (Karsch) (Myriapoda: Diplopoda)—I. In vivo incorporation of 14C-labelled precursors into the hydrocarbon fraction

    NARCIS (Netherlands)

    Oudejans, R.C.H.M.

    1972-01-01

    1. 1. Biosynthesis of hydrocarbons in male and female specimens of the millipede Graphidostreptus tumuliporus was investigated after injection of the following precursors: 1-14C-acetate, 16-14C- and 1-14C-palmitic acid, isoleucine-14C(U), valine-14C(U) and mevalonic-2-14C acid. 2. 2. Both sexes

  15. H2-rich and Hydrocarbon Gas Recovered in a Deep Precambrian Well in Northeastern Kansas

    International Nuclear Information System (INIS)

    Newell, K. David; Doveton, John H.; Merriam, Daniel F.; Lollar, Barbara Sherwood; Waggoner, William M.; Magnuson, L. Michael

    2007-01-01

    In late 2005 and early 2006, the WTW Operating, LLC (W.T.W. Oil Co., Inc.) no. 1 Wilson well (T.D. = 5772 ft; 1759.3 m) was drilled for 1826 ft (556.6 m) into Precambrian basement underlying the Forest City Basin in northeastern Kansas. Approximately 4500 of the 380,000 wells drilled in Kansas penetrate Precambrian basement. Except for two previous wells drilled into the arkoses and basalts of the 1.1-Ga Midcontinent Rift and another well drilled in 1929 in basement on the Nemaha Uplift east of the Midcontinent Rift, this well represents the deepest penetration into basement rocks in the state to date. Granite is the typical lithology observed in wells that penetrate the Precambrian in the northern Midcontinent. Although no cores were taken to definitively identify lithologies, well cuttings and petrophysical logs indicate that this well encountered basement metamorphic rocks consisting of schist, gneiss, and amphibolitic gneiss, all cut by aplite dikes.The well was cased and perforated in the Precambrian, and then acidized. After several days of swabbing operations, the well produced shows of low-Btu gas, dominated by the non-flammable component gases of nitrogen (20%), carbon dioxide (43%), and helium (1%). Combustible components include methane (26%), hydrogen (10%), and higher molecular-weight hydrocarbons (1%). Although Coveney and others [Am. Assoc. Petroleum Geologists Bull., v. 71, no, 1, p. 39-48, 1987] identified H 2 -rich gas in two wells located close to the Midcontinent Rift in eastern Kansas, this study indicates that high levels of H 2 may be a more widespread phenomenon than previously thought. Unlike previous results, the gases in this study have a significant component of hydrocarbon gas, as well as H 2 , N 2 , and CO 2 . Although redox reactions between iron-bearing minerals and groundwater are a possible source of H 2 in the Precambrian basement rocks, the hydrocarbon gas does not exhibit the characteristics typically associated with proposed

  16. [Bioremediation of oil-polluted soils: using the [13C]/[12C] ratio to characterize microbial products of oil hydrocarbon biodegradation].

    Science.gov (United States)

    Ziakun, A M; Brodskiĭ, E S; Baskunov, B P; Zakharchenko, V N; Peshenko, V P; Filonov, A E; Vetrova, A A; Ivanova, A A; Boronin, A M

    2014-01-01

    We compared data on the extent of bioremediation in soils polluted with oil. The data were obtained using conventional methods of hydrocarbon determination: extraction gas chromatography-mass spectrometry, extraction IR spectroscopy, and extraction gravimetry. Due to differences in the relative abundances of the stable carbon isotopes (13C/12C) in oil and in soil organic matter, these ratios could be used as natural isotopic labels of either substance. Extraction gravimetry in combination with characteristics of the carbon isotope composition of organic products in the soil before and after bioremediation was shown to be the most informative approach to an evaluation of soil bioremediation. At present, it is the only method enabling quantification of the total petroleum hydrocarbons in oil-polluted soil, as well as of the amounts of hydrocarbons remaining after bioremediation and those microbially transformed into organic products and biomass.

  17. PHARUS: A C-band Airborne SAR

    NARCIS (Netherlands)

    Hoogeboom, P.; Koomen, P.J.; Pouwels, H.; Snoeij, P.

    1990-01-01

    In The Netherlands a plan to design aircraft and build a polarimetric C-band SAR system of a novel design, called PHARUS (PHased Array Universal SAR) is carried out by three institutes. These institutes are the Physics and Electronics Laboratory TNO in The Hague (prime contractor and project

  18. Thermal behavior of H-aggregate in a mixed Langmuir-Blodgett film of merocyanine dye, arachidic acid, and n-octadecane ternary system investigated by UV-visible and IR absorption spectroscopy.

    Science.gov (United States)

    Hirano, Yoshiaki; Tateno, Shinsuke; Yamashita, Yoshihide; Ozaki, Yukihiro

    2008-11-13

    We have investigated the thermal behavior of H-aggregate in a mixed Langmuir-Blodgett (LB) film of the merocyanine dye (MS18)-arachidic acid (C20)- n-octadecane (AL18) ternary system by means of UV-visible and IR absorption spectroscopy in the range from 25 to 250 degrees C with a continuous scan. The results of both UV-visible and IR spectra indicate that the temperature-dependent variation in MS 18 aggregation state is linked not only with the degree of intramolecular charge transfer and the behavior of packing, orientation, conformation, and thermal mobility of the MS18 hydrocarbon chain but also with the presence and absence of AL18. The H-aggregate dissociates from 25 up to 50 degrees C, which is caused by the AL18 evaporation from the mixed LB film and the increment of thermal mobility of the MS18 hydrocarbon chain. From 110 to 160 degrees C, blue-shifted bands, attributed to the oligomeric MS18 aggregation, appear near 515 nm in the MS18-C 20-AL18 ternary system as well. The temperature at which the 515 nm band occurs is identical for both present ternary system and previously investigated MS18-deuterated arachidic acid (C20- d) binary system, and it is in good agreement with the melting point (110 degrees C) of cadmium arachidate (CdC20). Therefore, it is indicated that the driving force which induces the 515 nm band comes from the melting phenomenon of CdC20 molecules which are phase-separated from MS 18 molecules in as-deposited LB films.

  19. Bio-inspired Iron Catalysts for Hydrocarbon Oxidations

    Energy Technology Data Exchange (ETDEWEB)

    Que, Jr., Lawrence [Univ. of Minnesota, Minneapolis, MN (United States)

    2016-03-22

    Stereoselective oxidation of C–H and C=C bonds are catalyzed by nonheme iron enzymes. Inspired by these bioinorganic systems, our group has been exploring the use of nonheme iron complexes as catalysts for the oxidation of hydrocarbons using H2O2 as an environmentally friendly and atom-efficient oxidant in order to gain mechanistic insights into these novel transformations. In particular, we have focused on clarifying the nature of the high-valent iron oxidants likely to be involved in these transformations.

  20. Probing molecules on a surface by Cs+ reactive ion scattering: identification of C2Hx (x≤4) hydrocarbons

    International Nuclear Information System (INIS)

    Kang, H.; Lee, C.W.; Hwang, C.H.; Kim, C.M.

    2003-01-01

    We studied molecular species appearing in the reactions of ethylene on a Pt(1 1 1) surface by the technique of Cs + reactive ion scattering (Cs + RIS). Dehydrogenation reaction of ethylene was examined for a surface temperature range of 100-800 K, and the RIS result verified the well-known sequence of forming di-σ-bonded ethylene (-CH 2 -CH 2 -), ethylidyne (≡C-CH 3 ), CH, and then surface carbons, as the temperature increased. In particular, the intermediate species in the conversion of ethylene to ethylidyne was closely investigated, which showed the presence of an ethylidene intermediate (≡CH-CH 3 ). In a study of H/D exchange reactions between surface C 2 D 4 and H, we successfully identified the ethylenes in which several deuterium atoms were substituted by hydrogen (C 2 D 4-x H x ,x=0-4), and quantitatively determined their relative populations. These examples demonstrate the ability of the Cs + RIS method to identify small hydrocarbons and their isotope-exchanged species on surfaces

  1. Fabrication and surface passivation of porous 6H-SiC by atomic layer deposited films

    DEFF Research Database (Denmark)

    Lu, Weifang; Ou, Yiyu; Petersen, Paul Michael

    2016-01-01

    Porous 6H-SiC samples with different thicknesses were fabricated through anodic etching in diluted hydrofluoric acid. Scanning electron microscope images show that the dendritic pore formation in 6HSiC is anisotropic, which has different lateral and vertical formation rates. Strong photoluminesce...... above the 6H-SiC crystal band gap, which suggests that the strong photoluminescence is ascribed to surface state produced during the anodic etching....

  2. Radioisotope tracer study of co-reactions of methanol with ethanol using 11C-labelled methanol over alumina and H-ZSM-5

    International Nuclear Information System (INIS)

    Sarkadi-Priboczki, E.; Kovacs, Z.; Kumar, N.; Salmi, T.; Murzin, D.Yu

    2005-01-01

    Complete text of publication follows. The transformation of methanol has been investigated over alumina and H-ZSM-5 in our previous experiments by 11 C-radioisotope tracing. The main product in methanol conversion over alumina was dimethyl ether due to Lewis acid sites while over H-ZSM-5 mostly hydrocarbons were formed due to both Lewis and Brrnsted acid sites. With increasing temperature first the ethanol was dehydrated to diethyl ether followed by ethene formation over alumina and H-ZSM-5. In this work, 11 C-labelled methanol as radioisotope tracer was added to non-radioactive methanol for investigation of co-reaction with non-radioactive ethanol over alumina and H- ZSM-5. The 11 C-methanol tracer was used to distinguish the methanol derivates and co-reaction derivates of methanol with ethanol against non-radioactive ethanol derivates. The yield of methyl ethyl ether as mixed ether and the influence of ethanol for the yields of C 1 -C 5 hydrocarbons were studied as a function of reaction temperature and contact time. The 11 C-methanol was formed by a radiochemical process from 11 CO 2 produced at cyclotron. The mixture of methanol and ethanol was added to 11 C-methanol and injected to the catalyst. The catalysis was carried out in a glass tube fixed-bed reactor after its pretreatment. The derivates were analyzed by radio-gas chromatography (gas chromatograph with thermal conductivity detector coupled on-line with a radioactivity detector). The comparative analysis of yields of radioactive and non-radioactive products as a function of reaction temperature gives information about the reaction pathways. Over alumina the yields of dimethyl ether and methyl ethyl ether (co-product) as radioactive and diethyl ether with ethene as non-radioactive main products were monitored as a function of reaction temperature and reaction time in the range of 513-593 K. Alongside ethanol derivates the ethene turns into main product in contrast with methyl ethyl ether and diethyl

  3. Zeolitic imidazolate framework membranes and methods of making and using same for separation of c2- and c3+ hydrocarbons and separation of propylene and propane mixtures

    KAUST Repository

    Lai, Zhiping

    2012-12-06

    Certain embodiments are directed to processes for fabrication of zeolitic imidazolate framework (ZIF) membranes. These ZIF membranes can be used in separating C2-hydrocarbons from C3+ hydrocarbons and propylene/propane mixtures.

  4. Zeolitic imidazolate framework membranes and methods of making and using same for separation of c2- and c3+ hydrocarbons and separation of propylene and propane mixtures

    KAUST Repository

    Lai, Zhiping; Pan, Yichang

    2012-01-01

    Certain embodiments are directed to processes for fabrication of zeolitic imidazolate framework (ZIF) membranes. These ZIF membranes can be used in separating C2-hydrocarbons from C3+ hydrocarbons and propylene/propane mixtures.

  5. C-Band Airport Surface Communications System Standards Development, Phase I

    Science.gov (United States)

    Hall, Edward; Isaacs, James; Zelkin, Natalie; Henriksen. Steve

    2010-01-01

    This document is being provided as part of ITT's NASA Glenn Research Center Aerospace Communication Systems Technical Support (ACSTS) contract NNC05CA85C, Task 7: "New ATM Requirements--Future Communications, C-Band and L-Band Communications Standard Development." The proposed future C-band (5091- to 5150-MHz) airport surface communication system, referred to as the Aeronautical Mobile Airport Communications System (AeroMACS), is anticipated to increase overall air-to-ground data communications systems capacity by using a new spectrum (i.e., not very high frequency (VHF)). Although some critical services could be supported, AeroMACS will also target noncritical services, such as weather advisory and aeronautical information services as part of an airborne System Wide Information Management (SWIM) program. AeroMACS is to be designed and implemented in a manner that will not disrupt other services operating in the C-band. This report defines the AeroMACS concepts of use, high-level system requirements, and architecture; the performance of supporting system analyses; the development of AeroMACS test and demonstration plans; and the establishment of an operational AeroMACS capability in support of C-band aeronautical data communications standards to be advanced in both international (International Civil Aviation Organization, ICAO) and national (RTCA) forums. This includes the development of system parameter profile recommendations for AeroMACS based on existing Institute of Electrical and Electronics Engineering (IEEE) 802.16e- 2009 standards

  6. Electronic transitions of C{sub 5}H{sup +} and C{sub 5}H: neon matrix and CASPT2 studies

    Energy Technology Data Exchange (ETDEWEB)

    Fulara, Jan, E-mail: fulara@ifpan.edu.pl [Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel (Switzerland); Institute of Physics, Polish Academy of Sciences, Al. Lotników, 32/46, PL-02-668 Warsaw (Poland); Nagy, Adam; Chakraborty, Arghya; Maier, John P., E-mail: j.p.maier@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstarasse 80, CH-4056 Basel (Switzerland)

    2016-06-28

    Two electronic transitions at 512.3 and 250 nm of linear-C{sub 5}H{sup +} are detected following mass-selective deposition of m/z = 61 cations into a 6 K neon matrix and assigned to the 1 {sup 1}Π←X {sup 1}Σ{sup +} and 1 {sup 1}Σ{sup +}←X {sup 1}Σ{sup +} systems. Five absorption systems of l-C{sub 5}H with origin bands at 528,7, 482.6, 429.0, 368.5, and 326.8 nm are observed after neutralization of the cations in the matrix and identified as transitions from the X {sup 2}Π to 1 {sup 2}Δ, 1 {sup 2}Σ {sup −}, 1 {sup 2}Σ{sup +}, 2 {sup 2}Π, and 3 {sup 2}Π electronic states. The assignment to specific structures is based on calculated excitation energies, vibrational frequencies in the electronic states, along with simulated Franck–Condon profiles.

  7. Hydrogen degradation of the 26H2MF alloy steel in H2SO4 and hydrocarbon environments

    International Nuclear Information System (INIS)

    Zielinski, A.; Swieczko-Zurek, B.; Michaliak, P.

    2004-01-01

    The Polish 26H2M alloy steel has been subjected to different heat treatment resulting in different microstructure and fracture appearance. The slow strain rate tests have been made on smooth round specimens in diluted sulphuric acid, boiler fuel and used mineral machine oil. The 26H2MF steel has become relatively immune in neutral boiler fuel and mineral oil and been heavily suffered from hydrogen degradation in acidic environment. The results demonstrate that the 26H2MF steel is highly susceptible to hydrogen degradation but in absence of stress raisers the increased hydrogen absorption in hydrocarbons can cause only small loss of its plasticity. (author) >>>

  8. Valorization of Waste Lipids through Hydrothermal Catalytic Conversion to Liquid Hydrocarbon Fuels with in Situ Hydrogen Production

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dongwook; Vardon, Derek R.; Murali, Dheeptha; Sharma, Brajendra K.; Strathmann, Timothy J.

    2016-03-07

    We demonstrate hydrothermal (300 degrees C, 10 MPa) catalytic conversion of real waste lipids (e.g., waste vegetable oil, sewer trap grease) to liquid hydrocarbon fuels without net need for external chemical inputs (e.g., H2 gas, methanol). A supported bimetallic catalyst (Pt-Re/C; 5 wt % of each metal) previously shown to catalyze both aqueous phase reforming of glycerol (a triacylglyceride lipid hydrolysis coproduct) to H2 gas and conversion of oleic and stearic acid, model unsaturated and saturated fatty acids, to linear alkanes was applied to process real waste lipid feedstocks in water. For reactions conducted with an initially inert headspace gas (N2), waste vegetable oil (WVO) was fully converted into linear hydrocarbons (C15-C17) and other hydrolyzed byproducts within 4.5 h, and H2 gas production was observed. Addition of H2 to the initial reactor headspace accelerated conversion, but net H2 production was still observed, in agreement with results obtained for aqueous mixtures containing model fatty acids and glycerol. Conversion to liquid hydrocarbons with net H2 production was also observed for a range of other waste lipid feedstocks (animal fat residuals, sewer trap grease, dry distiller's grain oil, coffee oil residual). These findings demonstrate potential for valorization of waste lipids through conversion to hydrocarbons that are more compatible with current petroleum-based liquid fuels than the biodiesel and biogas products of conventional waste lipid processing technologies.

  9. Field-induced spin splitting and anomalous photoluminescence circular polarization in C H3N H3Pb I3 films at high magnetic field

    Science.gov (United States)

    Zhang, Chuang; Sun, Dali; Yu, Zhi-Gang; Sheng, Chuan-Xiang; McGill, Stephen; Semenov, Dmitry; Vardeny, Zeev Valy

    2018-04-01

    The organic-inorganic hybrid perovskites show excellent optical and electrical properties for photovoltaic and a myriad of other optoelectronics applications. Using high-field magneto-optical measurements up to 17.5 T at cryogenic temperatures, we have studied the spin-dependent optical transitions in the prototype C H3N H3Pb I3 , which are manifested in the field-induced circularly polarized photoluminescence emission. The energy splitting between left and right circularly polarized emission bands is measured to be ˜1.5 meV at 17.5 T, from which we obtained an exciton effective g factor of ˜1.32. Also from the photoluminescence diamagnetic shift we estimate the exciton binding energy to be ˜17 meV at low temperature. Surprisingly, the corresponding field-induced circular polarization is "anomalous" in that the photoluminescence emission of the higher split energy band is stronger than that of the lower split band. This "reversed" intensity ratio originates from the combination of long electron spin relaxation time and hole negative g factor in C H3N H3Pb I3 , which are in agreement with a model based on the k.p effective-mass approximation.

  10. A comparison of L-band and C-band rf guns as sources for inline-injection systems

    International Nuclear Information System (INIS)

    Gallardo, J.C.; Kirk, H.G.; Meyerer, T.

    1994-12-01

    We consider the beam dynamics associated with installing a BNL type 1 1/2 cell L-band or C-band rf gun before two TESLA L-band cryomodules. This system will deliver a 25 MeV electron beam with peak currents on the order of 100 A suitable for further magnetic compression. evaluate the injection systems utilizing the electron beam dynamic code PARMELA from the point of view of minimizing the transverse invariant emittance

  11. Superlattice configurations in linear chain hydrocarbon binary mixtures

    Indian Academy of Sciences (India)

    monoclinic, monoclinic-monoclinic) are realizable, because of discrete orientational changes in the alignment of molecules of -C28H58 hydrocarbon, through an angle , where = 1, 2, 3 … and angle has an average value of 3.3°.

  12. C-band RF-system development for e{sup +}e{sup -} linear collider

    Energy Technology Data Exchange (ETDEWEB)

    Shintake, T.; Akasaka, N.; Matsumoto, H. [High Energy Accelerator Research Organization, Tsukuba, Ibaraki (Japan); Oh, J.S.; Yoshida, M.; Watanabe, K.; Ohkubo, Y.; Yonezawa, H.; Baba, H.

    1998-11-01

    Hardware R and D on the C-band (5712 MHz) RF-system for an electron/positron linear collider started in 1996 at KEK. During two years R and D, we have developed a 50-MW C-band klystron (TOSHIBA E3746), a 'Smart Modulator', a traveling-wave resonator (TWR) and a cold model of the rf-pulse compressor. A C-band accelerating structure, which uses the choke-mode cavity, is under development. Its HOM damping performance will be tested using short-bunch beams of ASSET beam-line at SLAC in this year. The C-band system is able to accelerate a high-current beam at an accelerating gradient higher than that in a conventional S-band system, therefore, there will be various applications in the future beside the linear collider. For example, we can build an injector for a SR-ring and for various physics experiments within a short site-length. Additionally, since the C-band components are compact, it has a big potentiality to be widely used in various medical and industrial applications, such as an electron-beam radiotherapy machine, or a compact non-destructive X-ray imaging system. (author)

  13. H{sub 2}-Ar dilution for improved c-Si quantum dots in P-doped SiN{sub x}:H thin film matrix

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jia [Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); Zhang, Weijia, E-mail: zwjghx@126.com [Center of Condensed Matter and Material Physics, School of Physics and Nuclear Energy Engineering, Beihang University, Beijing, 100191 (China); Liu, Shengzhong, E-mail: szliu@dicp.ac.cn [Shaanxi Engineering Lab for Advanced Energy Technology, School of Materials Science and Engineering, Shaanxi Normal University, Xi’an 710119 (China); State key Laboratory of Catalysis, iChEM, Dalian Institute of Chemical Physics, Dalian National Laboratory for Clean Energy, Chinese Academy of Sciences, Dalian 116023 (China)

    2017-02-28

    Highlights: • Phosphorous-doped SiN{sub x}:H thin films containing c-Si QDs were prepared by PECVD in H{sub 2}-Ar mixed dilution under low temperature. • QD density and QD size can be controlled by tuning H{sub 2}/Ar flow ratio. • The sample prepared at the H{sub 2}/Ar flow ratio of 100/100 possesses both wide band gap and excellent conductivity. • Detail discussion has been presented for illustrating the influence of H{sub 2}/Ar mixed dilution on the crystallization process and P-doping. - Abstract: Phosphorus-doped hydrogenated silicon nitride (SiN{sub x}:H) thin films containing crystalline silicon quantum dot (c-Si QD) was prepared by plasma enhanced chemical vapor deposition (PECVD) using hydrogen-argon mixed dilution. The effects of H{sub 2}/Ar flow ratio on the structural, electrical and optical characteristics of as-grown P-doped SiN{sub x}:H thin films were systematically investigated. Experimental results show that crystallization is promoted by increasing the H{sub 2}/Ar flow ratio in dilution, while the N/Si atomic ratio is higher for thin film deposited with argon-rich dilution. As the H{sub 2}/Ar flow ratio varies from 100/100 to 200/0, the samples exhibit excellent conductivity owing to the large volume fraction of c-Si QDs and effective P-doping. By adjusting the H{sub 2}/Ar ratio to 100/100, P-doped SiN{sub x}:H thin film containing tiny and densely distributed c-Si QDs can be obtained. It simultaneously possesses wide optical band gap and high dark conductivity. Finally, detailed discussion has been made to analyze the influence of H{sub 2}-Ar mixed dilution on the properties of P-doped SiN{sub x}:H thin films.

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

    DEFF Research Database (Denmark)

    Mentzel, Uffe Vie; Holm, Martin Spangsberg

    2011-01-01

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

  15. Stacking faults and mechanisms strain-induced transformations of hcp metals (Ti, Mg) during mechanical activation in liquid hydrocarbons

    Science.gov (United States)

    Lubnin, A. N.; Dorofeev, G. A.; Nikonova, R. M.; Mukhgalin, V. V.; Lad'yanov, V. I.

    2017-11-01

    The evolution of the structure and substructure of metals Ti and Mg with hexagonal close-packed (hcp) lattice is studied during their mechanical activation in a planetary ball mill in liquid hydrocarbons (toluene, n-heptane) and with additions of carbon materials (graphite, fullerite, nanotubes) by X-ray diffraction, scanning electron microscopy, and chemical analysis. The temperature behavior and hydrogen-accumulating properties of mechanocomposites are studied. During mechanical activation of Ti and Mg, liquid hydrocarbons decay, metastable nanocrystalline titanium carbohydride Ti(C,H) x and magnesium hydride β-MgH2 are formed, respectively. The Ti(C,H) x and MgH2 formation mechanisms during mechanical activation are deformation ones and are associated with stacking faults accumulation, and the formation of face-centered cubic (fcc) packing of atoms. Metastable Ti(C,H)x decays at a temperature of 550°C, the partial reverse transformation fcc → hcp occurs. The crystalline defect accumulation (nanograin boundaries, stacking faults), hydrocarbon destruction, and mechanocomposite formation leads to the enhancement of subsequent magnesium hydrogenation in the Sieverts reactor.

  16. Hydrogen assisted growth of high quality epitaxial graphene on the C-face of 4H-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Tuocheng; Jia, Zhenzhao; Yan, Baoming; Yu, Dapeng; Wu, Xiaosong, E-mail: xswu@pku.edu.cn [State Key Laboratory for Artificial Microstructure and Mesoscopic Physics, Peking University, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100871 (China)

    2015-01-05

    We demonstrate hydrogen assisted growth of high quality epitaxial graphene on the C-face of 4H-SiC. Compared with the conventional thermal decomposition technique, the size of the growth domain by this method is substantially increased and the thickness variation is reduced. Based on the morphology of epitaxial graphene, the role of hydrogen is revealed. It is found that hydrogen acts as a carbon etchant. It suppresses the defect formation and nucleation of graphene. It also improves the kinetics of carbon atoms via hydrocarbon species. These effects lead to increase of the domain size and the structure quality. The consequent capping effect results in smooth surface morphology and suppression of multilayer growth. Our method provides a viable route to fine tune the growth kinetics of epitaxial graphene on SiC.

  17. Hc2 of anisotropy two-band superconductors by Ginzburg-Landau approach

    International Nuclear Information System (INIS)

    Udomsamuthirun, P.; Changjan, A.; Kumvongsa, C.; Yoksan, S.

    2006-01-01

    The purpose of this research is to study the upper critical field H c2 of two-band superconductors by two-band Ginzburg-Landau approach. The analytical formula of H c2 included anisotropy of order parameter and anisotropy of effective-mass are found. The parameters of the upper critical field in ab-plane (H c2 - bar ab ) and c-axis (H c2 - bar c ) can be found by fitting to the experimental data. Finally, we can find the ratio of upper critical field that temperature dependent in the range of experimental result

  18. Radiolytic degradation of chlorinated hydrocarbons in water

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Xing-Zheng; Yamamoto, Takeshi [Fukui Univ., Faculty of Engineering, Dept. of Materials Science and Engineering, Fukui (Japan); Hatashita, Masanori [The Wakasa Wan Energy Research Center, Research Dept., Tsuruga, Fukui (Japan)

    2002-11-01

    Radiolytic degradation of chlorinated hydrocarbons (chloroform, trichloroethylene, and tetrachloroethylene) in water was carried out. Water solutions of the chlorinated hydrocarbons with different concentrations were irradiated with {gamma} rays. Concentrations of methane, ethane, CO, CO{sub 2}, H{sub 2}, and O{sub 2} after the irradiation were determined by gas chromatography. Concentration of chloride ion in the irradiated sample was determined by ion chromatography. Experimental results show that radiolytic degradation of the chlorinated hydrocarbon increased with the radiation dose. Methane, ethane, CO{sub 2}, H{sub 2}, and Cl{sup -} concentrations increased with the radiation dose and the sample concentration. On the other hand, O{sub 2} concentration decreased with the radiation dose and the sample concentration. When sample concentration was high, dissolved oxygen might be not enough for converting most of the C atoms in the sample into CO{sub 2}. This resulted in a low decomposition ratio. Addition of H{sub 2}O{sub 2} as an oxygen resource could increase the decomposition ratio greatly. Furthermore, gas chromatography-mass spectroscopy was applied to identify some intermediates of the radiolytic dehalogenation. Radiolytic degradation mechanisms are also discussed. (author)

  19. Chemistry through cocrystals: pressure-induced polymerization of C2H2·C6H6 to an extended crystalline hydrocarbon

    Energy Technology Data Exchange (ETDEWEB)

    Ward, Matthew D. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Huang, Haw-Tyng [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Zhu, Li [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Biswas, Arani [Department of Chemistry; Pennsylvania State University; University Park; USA; Popov, Dmitry [High Pressure Collaborative Access Team (HPCAT); Geophysical Laboratory; Carnegie Institution of Washington; Argonne; USA; Badding, John V. [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Department of Chemistry; Strobel, Timothy A. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA

    2018-01-01

    The 1 : 1 acetylene–benzene cocrystal, C2H2·C6H6, was synthesized under pressure in a diamond anvil cell (DAC) and its evolution under pressure was studied with single-crystal X-ray diffraction and Raman spectroscopy.

  20. Chemistry through cocrystals: pressure-induced polymerization of C2H2·C 6H6 to an extended crystalline hydrocarbon

    Energy Technology Data Exchange (ETDEWEB)

    Ward, Matthew D. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Huang, Haw-Tyng [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Zhu, Li [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA; Biswas, Arani [Department of Chemistry; Pennsylvania State University; University Park; USA; Popov, Dmitry [High Pressure Collaborative Access Team (HPCAT); Geophysical Laboratory; Carnegie Institution of Washington; Argonne; USA; Badding, John V. [Department of Materials Science and Engineering; Pennsylvania State University; University Park; USA; Department of Chemistry; Strobel, Timothy A. [Geophysical Laboratory; Carnegie Institution of Washington; Washington; USA

    2018-01-01

    The 1:1 acetylene–benzene cocrystal, C2H2·C6H6, was synthesized under pressure in a diamond anvil cell (DAC) and its evolution under pressure was studied with single-crystal X-ray diffraction and Raman spectroscopy.

  1. Carbon/Hydrogen ratio determination in hydrocarbons and its mixtures by electron backscattering technique

    International Nuclear Information System (INIS)

    Padron, I.; Desdin, L.F.; Navarro, A.; Fuentes, M.

    1996-01-01

    A method carbon/hydrogen ratio (C/H) determination in hydrocarbons and its mixtures was improved using the electron backscattering technique. Besides the hetero atoms (S,O and N) influence in petroleum is studied for being able to determinate the C/H ratio in cuban petroleum with high sulphur contents

  2. Understanding overpressure in the FAA aerosol can test by C3H2F3Br (2-BTP).

    Science.gov (United States)

    Linteris, Gregory Thomas; Babushok, Valeri Ivan; Pagliaro, John Leonard; Burgess, Donald Raymond; Manion, Jeffrey Alan; Takahashi, Fumiaki; Katta, Viswanath Reddy; Baker, Patrick Thomas

    2016-05-01

    Thermodynamic equilibrium calculations, as well as perfectly-stirred reactor (PSR) simulations with detailed reaction kinetics, are performed for a potential halon replacement, C 3 H 2 F 3 Br (2-BTP, C 3 H 2 F 3 Br, 2-Bromo-3,3,3-trifluoropropene), to understand the reasons for the unexpected enhanced combustion rather than suppression in a mandated FAA test. The high pressure rise with added agent is shown to depend on the amount of agent, and is well-predicted by an equilibrium model corresponding to stoichiometric reaction of fuel, oxygen, and agent. A kinetic model for the reaction of C 3 H 2 F 3 Br in hydrocarbon-air flames has been applied to understand differences in the chemical suppression behavior of C 3 H 2 F 3 Br vs. CF 3 Br in the FAA test. Stirred-reactor simulations predict that in the conditions of the FAA test, the inhibition effectiveness of C 3 H 2 F 3 Br at high agent loadings is relatively insensitive to the overall stoichiometry (for fuel-lean conditions), and the marginal inhibitory effect of the agent is greatly reduced, so that the mixture remains flammable over a wide range of conditions. Most important, the flammability of the agent-air mixtures themselves (when compressively preheated), can support low-strain flames which are much more difficult to extinguish than the easy-to extinguish, high-strain primary fireball from the impulsively released fuel mixture. Hence, the exothermic reaction of halogenated hydrocarbons in air should be considered in other situations with strong ignition sources and low strain flows, especially at preheated conditions.

  3. Phenomenology of tremor-like signals observed over hydrocarbon reservoirs

    NARCIS (Netherlands)

    Dangel, S.; Schaepman, M.E.; Stoll, E.P.; Carniel, R.; Barzandji, O.; Rode, E.D.; Singer, J.M.

    2003-01-01

    We have observed narrow-band, low-frequency (1.5-4 Hz, amplitude 0.01-10 mum/s) tremor signals on the surface over hydrocarbon reservoirs (oil, gas and water multiphase fluid systems in porous media) at currently 15 sites worldwide. These 'hydrocarbon tremors' possess remarkably similar spectral and

  4. Effects of non-thermal plasmas and electric field on hydrocarbon/air flames

    Science.gov (United States)

    Ganguly, Biswa

    2009-10-01

    Need to improve fuel efficiency, and reduce emission from hydrocarbon combustor in automotive and gas turbine engines have reinvigorated interest in reducing combustion instability of a lean flame. The heat generation rate in a binary reaction is HQ =N^2 c1c2 Q exp(-E/RT), where N is the density, c1 and c2 are mol fractions of the reactants, Q is the reaction heat release, E is the activation energy, R is the gas constant and T is the average temperature. For hydrocarbon-air reactions, the typical value of E/R ˜20, so most heat release reactions are confined to a thin reaction sheet at T >=1400 K. The lean flame burning condition is susceptible to combustion instability due to a critical balance between heat generation and heat loss rates, especially at high gas flow rate. Radical injection can increase flame speed by reducing the hydrocarbon oxidation reaction activation barrier and it can improve flame stability. Advances in nonequilibrium plasma generation at high pressure have prompted its application for energy efficient radical production to enhance hydrocarbon-air combustion. Dielectric barrier discharges and short pulse excited corona discharges have been used to enhance combustion stability. Direct electron impact dissociation of hydrocarbon and O2 produces radicals with lower fuel oxidation reaction activation barriers, initiating heat release reaction CnHm+O CnHm-1+ OH (and other similar sets of reactions with partially dissociated fuel) below the typical cross-over temperature. Also, N2 (A) produced in air discharge at a moderate E/n can dissociate O2 leading to oxidation of fuel at lower gas temperature. Low activation energy reactions are also possible by dissociation of hydrocarbon CnHm+e -> CnHm-2+H2+e, where a chain propagation reaction H2+ O OH+H can be initiated at lower gas temperature than possible under thermal equilibrium kinetics. Most of heat release comes from the reaction CO+OH-> CO2 +H, nonthermal OH production seem to improve

  5. Investigation of band structure and electrochemical properties of h-BN/rGO composites for asymmetric supercapacitor applications

    Energy Technology Data Exchange (ETDEWEB)

    Saha, Sanjit; Jana, Milan; Samanta, Pranab; Murmu, Naresh C. [Surface Engineering & Tribology Division, CSIR-Central Mechanical Engineering Research Institute, Durgapur, 713209 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-CMERI Campus, Durgapur, 713209 (India); Kim, Nam H. [Advanced Materials Institute of BIN Convergence Technology (BK21 Plus Global), Dept. of BIN Convergence Technology, Chonbuk National University, Jeonju, Jeonbuk, 54896 (Korea, Republic of); Kuila, Tapas, E-mail: tkuila@gmail.com [Surface Engineering & Tribology Division, CSIR-Central Mechanical Engineering Research Institute, Durgapur, 713209 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-CMERI Campus, Durgapur, 713209 (India); Lee, Joong H., E-mail: jhl@jbnu.ac.kr [Advanced Materials Institute of BIN Convergence Technology (BK21 Plus Global), Dept. of BIN Convergence Technology, Chonbuk National University, Jeonju, Jeonbuk, 54896 (Korea, Republic of); Carbon Composite Research Centre, Department of Polymer & Nanoscience and Technology, Chonbuk National University, Jeonju, Jeonbuk, 54896 (Korea, Republic of)

    2017-04-01

    The effect of different content of graphene oxide (GO) on the electrical and electrochemical property of h-BN/reduced GO (rGO) hetero-structure is investigated elaborately. The increasing amount of rGO within the h-BN moiety plays fascinating role by reducing the electronic work function while increasing the density of state of the electrode. Furthermore, different h-BN/rGO architecture shows different potential window and the transition from pseudocapacitance to electrochemical double layer capacitance (EDLC) is observed with increasing π-conjugation of C atoms. The rod like h-BN is aligned as sheet while forming super-lattice with rGO. Transmission electron microscopy images show crystalline morphology of the hetero-structure super-lattice. The valance band and Mott-Shotky relationship determined from Mott-Shotky X-ray photoelectron spectroscopy shows that the electronic band structure of super-lattice is improved as compared to the insulating h-BN. The h-BN/rGO super-lattice provides high specific capacitance of ∼960 F g{sup −1}. An asymmetric device configured with h-BN/rGO super-lattice and B, N doped rGO shows very high energy and power density of 73 W h kg{sup −1} and 14,000 W kg{sup −1}, respectively. Furthermore, very low relaxation time constant of ∼1.6 ms and high stability (∼80%) after 10,000 charge-discharge cycles ensure the h-BN/rGO super-lattice as potential materials for the next generation energy storage applications. - Highlights: • Band gap energy of boron nitride decreased with increasing graphene oxide content. • Graphene oxide effectively affected the charge storage mechanism of the composite. • Morphology of boron nitride changed from rod to sheet while forming superlattice. • Highly conducting superlattice showed excellent supercapacitor performance. • Asymmetric device exhibited long stability with high energy and power density.

  6. Production of hydrogen via conversion of hydrocarbons using a microwave plasma

    International Nuclear Information System (INIS)

    Jasinski, Mariusz; Dors, Miroslaw; Nowakowska, Helena; Mizeraczyk, Jerzy; Nichipor, Gerietta V

    2011-01-01

    In this paper, results of hydrogen production from hydrocarbons in an atmospheric pressure microwave plasma are presented. As sources of hydrogen, both methane CH 4 and tetrafluoroethane C 2 H 2 F 4 were tested. A new waveguide-based nozzleless cylinder-type microwave plasma source was used to convert hydrocarbons into hydrogen. The processed gaseous hydrocarbons were introduced into the plasma by four gas ducts which formed a swirl flow in the plasma reactor. The absorbed microwave power was up to 5 kW. The gas flow rate was up to 212 L min -1 . The hydrogen mass yield rate and the corresponding energetic hydrogen mass yield were up to 866 g[H 2 ] h -1 and 577 g [H 2 ] kWh -1 of microwave energy absorbed by the plasma, respectively. These parameters are better than our previous results when nitrogen was used as a swirl gas and much better than those typical for other plasma methods of hydrogen production (electron beam, gliding arc, plasmatron).

  7. Removal of hydrocarbon from refinery tank bottom sludge employing microbial culture.

    Science.gov (United States)

    Saikia, Rashmi Rekha; Deka, Suresh

    2013-12-01

    Accumulation of oily sludge is becoming a serious environmental threat, and there has not been much work reported for the removal of hydrocarbon from refinery tank bottom sludge. Effort has been made in this study to investigate the removal of hydrocarbon from refinery sludge by isolated biosurfactant-producing Pseudomonas aeruginosa RS29 strain and explore the biosurfactant for its composition and stability. Laboratory investigation was carried out with this strain to observe its efficacy of removing hydrocarbon from refinery sludge employing whole bacterial culture and culture supernatant to various concentrations of sand-sludge mixture. Removal of hydrocarbon was recorded after 20 days. Analysis of the produced biosurfactant was carried out to get the idea about its stability and composition. The strain could remove up to 85 ± 3 and 55 ± 4.5 % of hydrocarbon from refinery sludge when whole bacterial culture and culture supernatant were used, respectively. Maximum surface tension reduction (26.3 mN m(-1)) was achieved with the strain in just 24 h of time. Emulsification index (E24) was recorded as 100 and 80 % with crude oil and n-hexadecane, respectively. The biosurfactant was confirmed as rhamnolipid containing C8 and C10 fatty acid components and having more mono-rhamnolipid congeners than the di-rhamnolipid ones. The biosurfactant was stable up to 121 °C, pH 2-10, and up to a salinity value of 2-10 % w/v. To our knowledge, this is the first report showing the potentiality of a native strain from the northeast region of India for the efficient removal of hydrocarbon from refinery sludge.

  8. Band gap engineering of hydrogenated amorphous carbon thin films for solar cell application

    Science.gov (United States)

    Dwivedi, Neeraj; Kumar, Sushil; Dayal, Saurabh; Rauthan, C. M. S.; Panwar, O. S.; Malik, Hitendra K.

    2012-10-01

    In this work, self bias variation, nitrogen introduction and oxygen plasma (OP) treatment approaches have been used for tailoring the band gap of hydrogenated amorphous carbon (a-C:H) thin films. The band gap of a-C:H and modified a- C:H films is varied in the range from 1.25 eV to 3.45 eV, which is found to be nearly equal to the full solar spectrum (1 eV- 3.5 eV). Hence, such a-C:H and modified a-C:H films are found to be potential candidate for the development of full spectrum solar cells. Besides this, computer aided simulation with considering variable band gap a-C:H and modified a- C:H films as window layer for amorphous silicon p-i-n solar cells is also performed by AFORS-HET software and maximum efficiency as ~14 % is realized. Since a-C:H is hard material, hence a-C:H and modified a-C:H films as window layer may avoid the use of additional hard and protective coating particularly in n-i-p configuration.

  9. Analogs of solid nanoparticles as precursors of aromatic hydrocarbons

    Science.gov (United States)

    Gadallah, K. A. K.; Mutschke, H.; Jäger, C.

    2013-06-01

    Context. Aromatic =CH and C=C vibrational bands have been observed within shocked interstellar regions, indicating the presence of aromatic emission carriers such as PAHs, which may have been created from adjacent molecular cloud material by interaction with a shock front. Aims: We investigate the evolution of the aromatic =CH and C=C vibrational modes at 3.3 and 6.2 μm wavelength in heated HAC materials, PAHs and mixed PAHs and HACs, respectively, aiming at an explanation of the evolution of carbonaceous dust grains in the shocked regions. Methods: Materials used in these analogs (HAC and PAH materials) were prepared by the laser ablation and the laser pyrolysis methods, respectively. The transmission electron microscopy (TEM) in high-resolution mode was used as an analytical technique to characterize the aromatic layers in HACs. Spectroscopic analysis was prformed in the mid-IR range. Results: A remarkable destruction of aliphatic structures in HACs has been observed with the thermal processing, while aromatic structures become dominating by increasing the diameters of the graphene layers. The aromatic bands at 3.3 and 6.2 μm, observed in the laboratory spectra of PAHs and of the combination of the PAHs and HAC materials, are also clearly observed in the spectrum of the heated HACs. These bands agree with those of aromatic bands observed in astronomical observations. Conclusions: Aromatization of HACs could be a pre-stage in the decomposition process of hydrocarbons that form PAH-clusters in such hot interstellar medium.

  10. A reactive empirical bond order (REBO) potential for hydrocarbon-oxygen interactions

    International Nuclear Information System (INIS)

    Ni, Boris; Lee, Ki-Ho; Sinnott, Susan B

    2004-01-01

    The expansion of the second-generation reactive empirical bond order (REBO) potential for hydrocarbons, as parametrized by Brenner and co-workers, to include oxygen is presented. This involves the explicit inclusion of C-O, H-O, and O-O interactions to the existing C-C, C-H, and H-H interactions in the REBO potential. The details of the expansion, including all parameters, are given. The new, expanded potential is then applied to the study of the structure and chemical stability of several molecules and polymer chains, and to modelling chemical reactions among a series of molecules, within classical molecular dynamics simulations

  11. 1,4-Iron Migration for Expedient Allene Annulations through Iron-Catalyzed C-H/N-H/C-O/C-H Functionalizations.

    Science.gov (United States)

    Mo, Jiayu; Müller, Thomas; Oliveira, João C A; Ackermann, Lutz

    2018-06-25

    C-H activation bears great potential for enabling sustainable molecular syntheses in a step- and atom-economical manner, with major advances having been realized with precious 4d and 5d transition metals. In contrast, we employed earth abundant, nontoxic iron catalysts for versatile allene annulations through a unique C-H/N-H/C-O/C-H functionalization sequence. The powerful iron catalysis occurred under external-oxidant-free conditions even at room temperature, while detailed mechanistic studies revealed an unprecedented 1,4-iron migration regime for facile C-H activations. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Acquired and innate immunity to polyaromatic hydrocarbons

    International Nuclear Information System (INIS)

    Yusuf, Nabiha; Timares, Laura; Seibert, Megan D.; Xu Hui; Elmets, Craig A.

    2007-01-01

    Polyaromatic hydrocarbons are ubiquitous environmental pollutants that are potent mutagens and carcinogens. Researchers have taken advantage of these properties to investigate the mechanisms by which chemicals cause cancer of the skin and other organs. When applied to the skin of mice, several carcinogenic polyaromatic hydrocarbons have also been shown to interact with the immune system, stimulating immune responses and resulting in the development of antigen-specific T-cell-mediated immunity. Development of cell-mediated immunity is strain-specific and is governed by Ah receptor genes and by genes located within the major histocompatibility complex. CD8 + T cells are effector cells in the response, whereas CD4 + T cells down-regulate immunity. Development of an immune response appears to have a protective effect since strains of mice that develop a cell-mediated immune response to carcinogenic polyaromatic hydrocarbons are less likely to develop tumors when subjected to a polyaromatic hydrocarbon skin carcinogenesis protocol than mice that fail to develop an immune response. With respect to innate immunity, TLR4-deficient C3H/HeJ mice are more susceptible to polyaromatic hydrogen skin tumorigenesis than C3H/HeN mice in which TLR4 is normal. These findings support the hypothesis that immune responses, through their interactions with chemical carcinogens, play an active role in the prevention of chemical skin carcinogenesis during the earliest stages. Efforts to augment immune responses to the chemicals that cause tumors may be a productive approach to the prevention of tumors caused by these agents

  13. Time resolved spectra in the infrared absorption and emission from shock heated hydrocarbons

    Science.gov (United States)

    Bauer, S. H.; Borchardt, D. B.

    1990-07-01

    We have extended the wavelength range of our previously constructed multichannel, fast recording spectrometer to the mid-infrared. With the initial configuration, using a silicon-diode (photovoltaic) array, we recorded light intensities simultaneously at 20 adjacent wavelengths, each with 20 μs time resolution. For studies in the infrared the silicon diodes are replaced by a 20 element PbSe (photoconducting) array of similar dimensions (1×4 mm/element), cooled by a three-stage thermoelectric device. These elements have useful sensitivities over 1.0-6.7 μm. Three interchangeable gratings in a 1/4 m monochromator cover the following spectral ranges: 1.0-2.5 μm (resolution 33.6 cm-1) 2.5-4.5 μm (16.8 cm-1) 4.0-6.5 μm (16.7 cm-1). Incorporated in the new housing there are individually controlled bias-power sources for each detector, two stages of analogue amplification and a 20-line parallel output to the previously constructed digitizer, and record/hold computer. The immediate application of this system is the study of emission and absorption spectra of shock heated hydrocarbons-C2H2, C4H4 and C6H6-which are possible precursors of species that generate infrared emissions in the interstellar medium. It has been recently proposed that these radiations are due to PAH that emit in the infrared upon relaxation from highly excited states. However, it is possible that such emissions could be due to shock-heated low molecular-weight hydrocarbons, which are known to be present in significant abundances, ejected into the interstellar medium during stellar outer atmospheric eruptions. The full Swan band system appeared in time-integrated emission spectra from shock heated C2H2 (1% in Ar; T5eq~=2500K) no soot was generated. At low resolution the profiles on the high frequency side of the black body maximum show no distinctive features. These could be fitted to Planck curves, with temperatures that declined with time from an initial high that was intermediate between T5 (no

  14. Rate constants for the reaction of CF3O radicals with hydrocarbons at 298 K

    DEFF Research Database (Denmark)

    Kelly, C.; Treacy, J.; Sidebottom, H.W.

    1993-01-01

    Rate constant ratios of the reactions of CF3O radicals with a number of hydrocarbons have been determined at 298 +/- 2 K and atmospheric pressure using a relative rate method. Using a previously determined value k(CF30 + C2H6) = 1.2 x 10(-12) cm3 molecule-1 s-1 these rate constant ratios provide...... estimates of the rate constants: k(CF3O + CH4) = (1.2 +/- 0.1) x 10(-14), k(CF3O + c-C3H6) = (3.6 +/- 0.2) x 10(-13), k(CF3O + C3H8) = (4.7 +/- 0.7) x 10(-12), k(CF3O + (CH3)3CH) = (7.2 +/- 0.5) x 10(-12), k(CF3O + C2H4) = (3.0 +/- 0.1) x 10(-11) and k(CF3O + C6H6) = (3.6 +/- 0.1) x 10(-11) cm3 molecule-1 s......-1. The importance of the reactions of CF3O radicals with hydrocarbons under atmospheric conditions is discussed....

  15. Synthesis, spectroscopic, structural and thermal characterizations of [(C7H6NO42TeBr6·4H2O

    Directory of Open Access Journals (Sweden)

    S. Smaoui

    2018-02-01

    Full Text Available Tellurium (IV complexes with pyridine-2,6-dicarboxylate ligand were synthesized by slow evaporation from aqueous solutions yielding a new compound: [(C7H6NO42TeBr6·4H2O]. The structure of this compound was solved and refined by single-crystal X-ray diffraction. The compound is centrosymmetric P21/c (N°: 14 with the parameters a = 8.875(5 Å, b = 15.174(5 Å, c = 10.199(5 Å, β = 94.271° (5 and Z = 2. The structure consists of isolated H2O, isolated [TeBr6]2− octahedral anions and (pyridine-2,6-dicarboxylate [C7H6NO4]+ cations. The stability of the structure was ensured by ionic and hydrogen bonding contacts (N–H⋯Br and O–H⋯Br and Van-Der Walls interaction. The thermal decomposition of the compound was studied by thermogravimetric analysis (TGA and differential scanning calorimetry (DSC. The FTIR and Raman spectroscopy at different temperatures confirm the existence of vibrational modes that correspond to the organic, inorganic and water molecular groups. Additionally, the UV–Vis diffuse reflectance spectrum was recorded in order to investigate the band gap nature. The measurements show that this compound exhibits a semiconducting behavior with an optical band gap of 2.66 eV.

  16. Synthesis of Biokerosene through Electrochemical Hydrogenation of Terpene Hydrocarbons from Turpentine Oil

    Directory of Open Access Journals (Sweden)

    Tedi Hudaya

    2016-12-01

    Full Text Available Indonesia possesses great potential for developing renewable resources as alternative fuels. For example, turpentine oil obtained from Pinus merkusii, which contains mostly monoterpene hydrocarbons (C10H16. The oil is highly suitable to be processed for biokerosene or even jet biofuel. It consists of hydrocarbons within the range of C10 to C15. However, it contains insufficient H and thus needs to be upgraded. In the present work, electrochemical hydrogenation was used for upgrading. In the electrochemical cell, stainless steel, silver, and carbon were used alternately for the anode, while copper and silver Raschig rings were used for the cathode. An electrolyte solution of cuprous ammonium formate was utilized not only as a source of H but also to draw the unsaturated hydrocarbons into the aqueous phase. The electrolyte : oil ratio (up to 2:1, electrolyte concentration (between 0.4 and 2 M and reaction time were varied throughout the experiments. The bromine number (unsaturation level of the turpentine oil, which was initially 1,86 (mole Br2/mole, was lowered significantly to 0.69-0.90. Promising increase of smoke point values were observed from 11 mm to 16-24 mm, indicating a higher H content of the processed oil, thus making it suitable as a substitute for petroleum kerosene.

  17. THE INFRARED SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS WITH FIVE- AND SEVEN-MEMBERED FUSED RING DEFECTS

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr; Allamandola, Louis J.

    2011-01-01

    Polycyclic aromatic hydrocarbon (PAH) growth and destruction are thought to proceed via the occasional incorporation of five- and seven-membered fused ring defects in the hexagonal carbon skeleton. Using density functional theory, this paper investigates the effect such five- and seven-membered fused ring defects have on the infrared spectra of ovalene, circumovalene, and circumcircumovalene. The defects make only small changes to the overall infrared (IR) spectra, both in the mid-IR and in the far-IR, of these species. In addition to small shifts in the positions of the bands between the PAHs with and without defects, the most common effect of the defects is to increase the number of bands. Except for an anion with the Stone-Wales defect, all of the species studied have the C-C stretching band at 6.3 μm or at longer wavelengths, the position in Classes B and C astronomical PAH spectra. In the case of the Stone-Wales anion, the band falls at 6.20 μm, suggesting that further study of defects is probably worthwhile, as some PAHs with defects might be important in those sources (Class A) that show a C-C stretching band that falls near 6.2 μm.

  18. Distribution of hydrocarbon-utilizing microorganisms and hydrocarbon biodegradation potentials in Alaskan continental shelf areas

    International Nuclear Information System (INIS)

    Roubal, G.; Atlas, R.M.

    1978-01-01

    Hydrocarbon-utilizing microogranisms were enumerated from Alaskan continental shelf areas by using plate counts and a new most-probable-number procedure based on mineralization of 14 C-labeled hydrocarbons. Hydrocarbon utilizers were ubiquitously distributed, with no significant overall concentration differences between sampling regions or between surface water and sediment samples. There were, however, significant seasonal differences in numbers of hydrocarbon utilizers. Distribution of hydrocarbon utilizers within Cook Inlet was positively correlated with occurrence of hydrocarbons in the environment. Hydrocarbon biodegradation potentials were measured by using 14 C-radiolabeled hydrocarbon-spiked crude oil. There was no significant correlation between numbers of hydrocarbon utilizers and hydrocarbon biodegradation potentials. The biodegradation potentials showed large seasonal variations in the Beaufort Sea, probably due to seasonal depletion of available nutrients. Non-nutrient-limited biodegradation potentials followed the order hexadecane > naphthalene >> pristane > benzanthracene. In Cook Inlet, biodegradation potentials for hexadecane and naphthalene were dependent on availability of inorganic nutrients. Biodegradation potentials for pristane and benzanthracene were restricted, probably by resistance to attack by available enzymes in the indigenous population

  19. Study of the unimolecular decompositions of the (C3H6)+2 and (c-C3H6)+2 complexes

    International Nuclear Information System (INIS)

    Tzeng, W.; Ono, Y.; Linn, S.H.; Ng, C.Y.

    1985-01-01

    The major product channels identified in the unimolecular decompositions ofC 3 H + 6 xC 3 H 6 and c-C 3 H + 6 xc-C 3 H 6 in the total energy [neutral (C 3 H 6 ) 2 or (c-C 3 H 6 ) 2 heat of formation plus excitation energy] range of approx.230--450 kcal/mol are C 3 H + 7 +C 3 H 5 , C 4 H + 7 +C 2 H 5 , C 4 H + 8 +C 2 H 4 , and C 5 H + 9 +CH 3 . The measured appearance energy for C 4 H + 7 (9.54 +- 0.04 eV) from (C 3 H 6 ) 2 is equal to the thermochemical threshold for the formation of C 4 H + 7 +C 2 H 5 from (C 3 H 6 ) 2 , indicating that the exit potential energy barrier for the ion--molecule reaction C 3 H + 6 +C 3 H 6 →C 4 H + 7 +C 2 H 5 is negligible. There is evidence that the formations of C 4 H + 7 +C 2 H 4 +H from (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 also proceed with high probabilities when they are energetically allowed. The variations of the relative abundances for C 4 H + 7 ,C 4 H + 8 , and C 5 H + 9 from (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 as a function of ionizing photon energy are in qualitative agreement, suggesting that (C 3 H 6 ) + 2 and (c-C 3 H 6 ) + 2 rearrange to similar C 6 H + 12 isomers prior to fragmentation. The fact that C 6 H + 11 is found to be a primary ion from the unimolecular decomposition of (c-C 3 H 6 ) + 2 but not (C 3 H 6 ) + 2 supports the conclusion that the distribution of C 6 H + 12 collision complexes involved in the C 3 H + 6 +C 3 H 6 reactions is different from that in the cyclopropane ion--molecule reactions

  20. Development of C-band Accelerating Section for SuperKEKB

    CERN Document Server

    Kamitani, T; Ikeda, M; Kakihara, K; Ohsawa, S; Oogoe, T; Sugimura, T; Takatomi, T; Yamaguchi, S; Yokoyama, K

    2004-01-01

    For the luminosity upgrade of the present KEK B-factory to SuperKEKB, the injector linac has to increase the positron acceleration energy from 3.5 to 8.0 GeV. In order to double the acceleration field gradient from 21 to 42 MV/m, design studies on C-band accelerator module has started in 2002. First prototype 1-m long accelerating section has been fabricated based upon a design which is half scale of the present S-band section. High power test of the C-band section has been performed at a test stand and later at an accelerator module in the KEKB injector linac. In a beam acceleration test, a field gradient of 41 MV/m is achieved with 43 MW RF power from a klystron. This paper report on the recent status of the high-power test and also the development of a second prototype section.

  1. Origin of Spectral Band Patterns in the Cosmic Unidentified Infrared Emission

    Science.gov (United States)

    Álvaro Galué, Héctor; Díaz Leines, Grisell

    2017-10-01

    The cosmic unidentified infrared emission (UIE) band phenomenon is generally considered as indicative of free-flying polycyclic aromatic hydrocarbon molecules in space. However, a coherent explanation of emission spectral band patterns depending on astrophysical source is yet to be resolved under this attribution. Meanwhile astronomers have restored the alternative origin as due to amorphous carbon particles, but assigning spectral patterns to specific structural elements of particles is equally challenging. Here we report a physical principle in which inclusion of nonplanar structural defects in aromatic core molecular structures (π domains) induces spectral patterns typical of the phenomenon. We show that defects in model π domains modulate the electronic-vibration coupling that activates the delocalized π -electron contribution to aromatic vibrational modes. The modulation naturally disperses C =C stretch modes in band patterns that readily resemble the UIE bands in the elusive 6 - 9 μ m range. The electron-vibration interaction mechanics governing the defect-induced band patterns underscores the importance of π delocalization in the emergence of UIE bands. We discuss the global UIE band regularity of this range as compatible with an emission from the delocalized s p2 phase, as π domains, confined in disordered carbon mixed-phase aggregates.

  2. Isolation and characterization of Halomonas sp. strain C2SS100, a hydrocarbon-degrading bacterium under hypersaline conditions.

    Science.gov (United States)

    Mnif, S; Chamkha, M; Sayadi, S

    2009-09-01

    To isolate and characterize an efficient hydrocarbon-degrading bacterium under hypersaline conditions, from a Tunisian off-shore oil field. Production water collected from 'Sercina' petroleum reservoir, located near the Kerkennah island, Tunisia, was used for the screening of halotolerant or halophilic bacteria able to degrade crude oil. Bacterial strain C2SS100 was isolated after enrichment on crude oil, in the presence of 100 g l(-1) NaCl and at 37 degrees C. This strain was aerobic, Gram-negative, rod-shaped, motile, oxidase + and catalase +. Phenotypic characters and phylogenetic analysis based on the 16S rRNA gene of the isolate C2SS100 showed that it was related to members of the Halomonas genus. The degradation of several compounds present in crude oil was confirmed by GC-MS analysis. The use of refined petroleum products such as diesel fuel and lubricating oil as sole carbon source, under the same conditions of temperature and salinity, showed that significant amounts of these heterogenic compounds could be degraded. Strain C2SS100 was able to degrade hexadecane (C16). During growth on hexadecane, cells surface hydrophobicity and emulsifying activity increased indicating the production of biosurfactant by strain C2SS100. A halotolerant bacterial strain Halomonas sp. C2SS100 was isolated from production water of an oil field, after enrichment on crude oil. This strain is able to degrade hydrocarbons efficiently. The mode of hydrocarbon uptake is realized by the production of a biosurfactant which enhances the solubility of hydrocarbons and renders them more accessible for biodegradation. The biodegradation potential of the Halomonas sp. strain C2SS100 gives it an advantage for possibly application on bioremediation of water, hydrocarbon-contaminated sites under high-salinity level.

  3. The analysis of structural and electronic environments of silicon network in HWCVD deposited a-SiC:H films

    International Nuclear Information System (INIS)

    Swain, Bibhu P.

    2007-01-01

    Hydrogenated amorphous silicon carbon alloys (a-SiC:H) films were deposited by hot wire chemical vapour deposition (HWCVD) using SiH 4 and C 2 H 2 as precursor gases. a-SiC:H films were characterized by Fourier Transform Infrared (FTIR) spectroscopy, Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). Solid-state plasmon of Si network shifts from 19.2 to 20.5 eV by varying C 2 H 2 flow rate from 2 to 10 sccm. Incorporation of carbon content changes the valence band structure and s orbital is more dominant than sp and p orbital with carbon incorporation

  4. Influence of molecular clustering on the interpretation of diffractograms of hydrocarbon films from tokamak T-10

    Energy Technology Data Exchange (ETDEWEB)

    Neverov, V. S., E-mail: vs-never@hotmail.com [National Research Center Kurchatov Institute, Tokamak Physics Institute (Russian Federation); Voloshinov, V. V., E-mail: vladimir.voloshinov@gmail.com [Russian Academy of Science, Institute for Information Transmission Problems (Kharkevich Institute) (Russian Federation); Kukushkin, A. B., E-mail: kukushkin-ab@nrcki.ru [National Research Center Kurchatov Institute, Tokamak Physics Institute (Russian Federation); Tarasov, A. S., E-mail: tarasov.alexey@gmail.com [Russian Academy of Science, Institute for Information Transmission Problems (Kharkevich Institute) (Russian Federation)

    2015-12-15

    The influence of molecular clustering on the formerly suggested interpretation of diffraction patterns of hydrocarbon films formed in the vacuum vessel of the tokamak T-10 is analyzed numerically. The simulation of clustering of simple hydrocarbon molecules C(D, H){sub 4}, C{sub 2}(D, H){sub 4}, and C{sub 6}(D, H){sub 6} and molecules composed of curved graphene (fullerenes and toroidal nanotubes) is carried out with the rigid body molecular dynamics method. It is shown that formerly neglected atomic correlations C–C and C–D(H) in the amorphous hydrocarbon component decrease the calculated values of the scattered intensity in the range of scattering vector modulus 5 < q < 20 nm{sup –1} because of homogenization of scatters on the spatial scale of ∼1 nm. The allowance for these correlations does not change the diffraction patterns in the range q > 20 nm{sup –1}. The results suggest the necessity to introduce to the procedure of determining the structural content of the films, similar to those from the tokamak T-10, the clusters formed by the van der Waals adhesion of hydrocarbon molecules to “graphene” nanoparticles. This simplifies the mathematical optimization to the former level of complexity—but for an extended ensemble of objects—and makes it possible to calculate the diffraction patterns of these objects using the distributed computing resources. A modified algorithm of structural content identification on the basis of joint X-ray and neutron diffractometry is suggested.

  5. Pd-Doped SnO2-Based Sensor Detecting Characteristic Fault Hydrocarbon Gases in Transformer Oil

    Directory of Open Access Journals (Sweden)

    Weigen Chen

    2013-01-01

    Full Text Available Methane (CH4, ethane (C2H6, ethylene (C2H4, and acetylene (C2C2 are important fault characteristic hydrocarbon gases dissolved in power transformer oil. Online monitoring these gaseous components and their generation rates can present the operational state of power transformer timely and effectively. Gas sensing technology is the most sticky and tricky point in online monitoring system. In this paper, pure and Pd-doped SnO2 nanoparticles were synthesized by hydrothermal method and characterized by X-ray powder diffraction, field-emission scanning electron microscopy, and energy dispersive X-ray spectroscopy, respectively. The gas sensors were fabricated by side-heated preparation, and their gas sensing properties against CH4, C2H6, C2H4, and C2H2 were measured. Pd doping increases the electric conductance of the prepared SnO2 sensors and improves their gas sensing performances to hydrocarbon gases. In addition based on the frontier molecular orbital theory, the highest occupied molecular orbital energy and the lowest unoccupied molecular orbital energy were calculated. Calculation results demonstrate that C2H4 has the highest occupied molecular orbital energy among CH4, C2H6, C2H4, and C2H2, which promotes charge transfer in gas sensing process, and SnO2 surfaces capture a relatively larger amount of electric charge from adsorbed C2H4.

  6. CPM Signals for Satellite Navigation in the S and C Bands.

    Science.gov (United States)

    Xue, Rui; Sun, Yanbo; Zhao, Danfeng

    2015-06-05

    Frequency allocations in the L band suitable for global navigation satellite system (GNSS) services are getting crowded and system providers face an ever tougher job when they try to bring in new signals and services while maintaining radio frequency compatibility. With the successive opening of the S and C bands to GNSS service, the multi-band combined navigation is predicted to become a key technology for future high-precision positioning navigation systems, and a single modulation scheme satisfying the requirements in each band is a promising solution for reducing user terminal complexity. A universal modulation scheme based on the continuous phase modulation (CPM) family suitable for the above bands' demands is proposed. Moreover, this paper has put forward two specific CPM signals for the S and C bands, respectively. Then the proposed modulation schemes, together with existing candidates, are comprehensively evaluated. Simulation results show that the proposed CPM signals can not only satisfy the constraint condition of compatibility in different bands well and reduce user terminal complexity, but also provide superior performance in terms of tracking accuracy, multi-path mitigation and anti-jamming compared to other candidate modulation schemes.

  7. Understanding overpressure in the FAA aerosol can test by C3H2F3Br (2-BTP)✩

    Science.gov (United States)

    Linteris, Gregory Thomas; Babushok, Valeri Ivan; Pagliaro, John Leonard; Burgess, Donald Raymond; Manion, Jeffrey Alan; Takahashi, Fumiaki; Katta, Viswanath Reddy; Baker, Patrick Thomas

    2018-01-01

    Thermodynamic equilibrium calculations, as well as perfectly-stirred reactor (PSR) simulations with detailed reaction kinetics, are performed for a potential halon replacement, C3H2F3Br (2-BTP, C3H2F3Br, 2-Bromo-3,3,3-trifluoropropene), to understand the reasons for the unexpected enhanced combustion rather than suppression in a mandated FAA test. The high pressure rise with added agent is shown to depend on the amount of agent, and is well-predicted by an equilibrium model corresponding to stoichiometric reaction of fuel, oxygen, and agent. A kinetic model for the reaction of C3H2F3Br in hydrocarbon-air flames has been applied to understand differences in the chemical suppression behavior of C3H2F3Br vs. CF3Br in the FAA test. Stirred-reactor simulations predict that in the conditions of the FAA test, the inhibition effectiveness of C3H2F3Br at high agent loadings is relatively insensitive to the overall stoichiometry (for fuel-lean conditions), and the marginal inhibitory effect of the agent is greatly reduced, so that the mixture remains flammable over a wide range of conditions. Most important, the flammability of the agent-air mixtures themselves (when compressively preheated), can support low-strain flames which are much more difficult to extinguish than the easy-to extinguish, high-strain primary fireball from the impulsively released fuel mixture. Hence, the exothermic reaction of halogenated hydrocarbons in air should be considered in other situations with strong ignition sources and low strain flows, especially at preheated conditions. PMID:29628525

  8. Vibrational spectrum of solid picene (C22H14)

    International Nuclear Information System (INIS)

    Joseph, B; Capitani, F; Boeri, L; Malavasi, L; Artioli, G A; Protti, S; Fagnoni, M; Albini, A; Marini, C; Baldassarre, L; Perucchi, A; Lupi, S; Postorino, P; Dore, P

    2012-01-01

    Recently, Mitsuhashi et al observed superconductivity with a transition temperature up to 18 K in potassium doped picene (C 22 H 14 ), a polycyclic aromatic hydrocarbon compound (Mitsuhashi et al 2010 Nature 464 76). Theoretical analysis indicates the importance of electron-phonon coupling in the superconducting mechanisms of these systems, with different emphasis on inter- and intra-molecular vibrations, depending on the approximations used. Here we present a combined experimental and ab initio study of the Raman and infrared spectrum of undoped solid picene, which allows us to unambiguously assign the vibrational modes. This combined study enables the identification of the modes which couple strongly to electrons and hence can play an important role in the superconducting properties of the doped samples. (fast track communication)

  9. Highly Depleted Ethane and Mildly Depleted Methanol in Comet 21P/Giacobini-Zinner: Application of a New Empirical nu(sub 2) Band Model for CH30H Near 50 K

    Science.gov (United States)

    DiSanti, M. A.; Bonev, B. P.; Villanueva, G. L.; Mumma, M. J.

    2012-01-01

    Infrared spectra of Comet 2lP/Giacobini-Zinner (hereafter 2IP/GZ) were obtained using NIRSPEC at Keck II on UT 2005 June 03, approximately one month before perihelion, that simultaneously measured H2O, C2H6, and CH3OH. For H2O, the production rate of 3.8 x 10(exp 28) molecules / S was consistent with that measured during other apparitions of 21P/GZ retrieved from optical, infrared, and mm-wavelength observations. The water analysis also provided values for rotational temperature (T(sub rot) = 55(epx +3) /-.2 K) and the abundance ratio of ortho- and para-water (3.00 +/-0.15, implying a spin temperature exceeding 50 K). Six Q-branches in the V7 band of C2H6 provided a production rate (5.27 +/- 0.90 x 10(exp 25)/S) that corresponded to an abundance ratio of 0.139 +/- 0.024 % relative to H2O, confirming the previously reported strong depletion of C2H6 from IR observations during the 1998 apparition, and in qualitative agreement with the depletion in C2 known from optical studies. For CH30H, we applied our recently published ab initia model for the v3 band to obtain a rotational temperature (48(exp + 10) / -7 K) consistent with that obtained for H2O. In addition we applied a newly developed empirical model for the CH30H v2 band, and obtained a production rate consistent with that obtained from the v3 band. Combining results from both v2 and v3 bands provided a production rate (47.5 +/- 4.4 x 10(exp 25) / S) that corresponded to an abundance ratio of 1.25 +/- 0.12 % relative to H2O in 21P/GZ. Our study provides the first measure of primary volatile production rates for any Jupiter family comet over multiple apparitions using high resolution IR spectroscopy.

  10. The ν 1Band System of H-CC-CN (Cyanoacetylene)

    Science.gov (United States)

    Winther, F.; Klee, S.; Mellau, G.; Naı̈m, S.; Mbosei, L.; Fayt, A.

    1996-02-01

    The ν1band system of cyanoacetylene (H-CC-CN) has been observed with an effective resolution of 0.006 cm-1. ν1= 3327.37085(3) cm-1,B1= 0.15149762(2) cm-1,D1= 1.8065(3) × 10-8cm-1. Several hot bands from the statesv5= 1,v6= 1,v7= 1, 2 (l= 0 and 2), 3 (l= 1 and 3), and 4 (l= 0 and 2),v6=v7= 1 (l= 0 and 2), andv6= 1 andv7= 2 (l= 3) have also been observed and analyzed. Many bands show strong local perturbations due to interactions with states which are combinations of the modes 4, 5, 6, and 7. These perturbing states are also described quantitatively, and rovibrational constants are given.

  11. New triboluminescence emitters of inorganic lanthanide salts in CH{sub 4} and C{sub 2}H{sub 2} atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Tukhbatullin, A.A., E-mail: adiska0501@gmail.ru; Sharipov, G.L.; Bagautdinova, A.R.

    2016-05-15

    Excited radicals {sup *}CH and {sup *}C{sub 2} have been registered as light-emitting products of the mechanochemical decomposition of hydrocarbon gases (natural gas, CH{sub 4}, and C{sub 2}H{sub 2}) occurring at decomposition of the hydrated cerium and terbium sulfates under atmosphere of these gases, followed by triboluminescence. The inlet of hydrocarbons almost does not affect the intensity of the solid-state components of triboluminescence, viz., the luminescence of the excited ions Ln{sup 3+}. However, these gases completely suppress the luminescence of molecular nitrogen observed in air (a gas component of triboluminescence). The mechanism of decomposition of methane and acetylene by electrical discharges generated by the destruction of the crystals (the main source of gas component triboluminescence) have been discussed.

  12. Kronig-Penney-like description for band gap variation in SiC polytypes

    NARCIS (Netherlands)

    Backes, W.H.; Nooij, de F.C.; Bobbert, P.A.; van Haeringen, W.

    1996-01-01

    A one-dimensional Kronig-Penney-like model for envelope wave functions is presented to explain the band gap variation of SiC polytypes. In this model the envelope functions obey discontinuous boundary conditions. The electronic band gaps of cubic and several hexagonal and rhombohedral SiC polytypes

  13. HYDROCARBON EMISSION RINGS IN PROTOPLANETARY DISKS INDUCED BY DUST EVOLUTION

    Energy Technology Data Exchange (ETDEWEB)

    Bergin, Edwin A.; Du, Fujun; Schwarz, K.; Zhang, K. [Department of Astronomy, University of Michigan, 311 West Hall, 1085 S. University Ave, Ann Arbor, MI 48109 (United States); Cleeves, L. Ilsedore [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Blake, G. A. [Division of Geological and Planetary Sciences, MC 150-21, California Institute of Technology, 1200 E California Blvd, Pasadena, CA 91125 (United States); Visser, R. [European Southern Observatory, Karl-Schwarzschild-Str. 2, D-85748, Garching (Germany)

    2016-11-01

    We report observations of resolved C{sub 2}H emission rings within the gas-rich protoplanetary disks of TW Hya and DM Tau using the Atacama Large Millimeter Array. In each case the emission ring is found to arise at the edge of the observable disk of millimeter-sized grains (pebbles) traced by submillimeter-wave continuum emission. In addition, we detect a C{sub 3}H{sub 2} emission ring with an identical spatial distribution to C{sub 2}H in the TW Hya disk. This suggests that these are hydrocarbon rings (i.e., not limited to C{sub 2}H). Using a detailed thermo-chemical model we show that reproducing the emission from C{sub 2}H requires a strong UV field and C/O > 1 in the upper disk atmosphere and outer disk, beyond the edge of the pebble disk. This naturally arises in a disk where the ice-coated dust mass is spatially stratified due to the combined effects of coagulation, gravitational settling and drift. This stratification causes the disk surface and outer disk to have a greater permeability to UV photons. Furthermore the concentration of ices that transport key volatile carriers of oxygen and carbon in the midplane, along with photochemical erosion of CO, leads to an elemental C/O ratio that exceeds unity in the UV-dominated disk. Thus the motions of the grains, and not the gas, lead to a rich hydrocarbon chemistry in disk surface layers and in the outer disk midplane.

  14. Transport and deposition of injected hydrocarbons in plasma generator PSI-2

    International Nuclear Information System (INIS)

    Bohmeyer, W.; Naujoks, D.; Markin, A.; Arkhipov, I.; Koch, B.; Schroeder, D.; Fussmann, G.

    2005-01-01

    The transport and deposition of hydrocarbons were studied in the stationary plasma of plasma generator PSI-2. CH 4 or C 2 H 4 were injected into the plasma at different positions in the target chamber. After an interaction between the plasma and the hydrocarbons, different species are produced, some of them having high sticking probabilities and forming a:CH films on a temperature controlled collector. The film growth is studied in situ for different plasma parameters. The 3D Monte Carlo code ERO including three different sets of atomic data is used to describe the formation of hydrocarbon films

  15. The development for C-band whole sealed vacuum accelerating tuber

    International Nuclear Information System (INIS)

    Zhou Wenzhen; Zhang Xiangyang; Ding Shulin; Hu Jinquan; Yang Zhenyuan

    1999-01-01

    S-Band standing wave electron linacs have got wide-ranging application for industry nondestructive testing and formed varied kinds of products. X-band electron linac for NDT has been developed by Schonberg Company USA in 1985. Because of bigger structure of S-band linac and difficult machining of X-Band linac, an C-band portable linac for NDT has been developed in CIAE at present, a whole sealed vacuum accelerating tuber will be given here. It consists of 4 cavities, the phase velocity of the first two cavities is 0.5 and 0.9, respectively, and that of the second two cavities is 1. The high power testing proved that the design of the accelerating tuber is good for 1.5 MeV electron linac for NDT

  16. Production of hydrogen via conversion of hydrocarbons using a microwave plasma

    Energy Technology Data Exchange (ETDEWEB)

    Jasinski, Mariusz; Dors, Miroslaw; Nowakowska, Helena; Mizeraczyk, Jerzy [Centre for Plasma and Laser Engineering, The Szewalski Institute of Fluid-Flow Machinery, Polish Academy of Sciences, Fiszera 14, 80-952 Gdansk (Poland); Nichipor, Gerietta V, E-mail: mj@imp.gda.pl [Joint Institute of Power and Nuclear Research, Academy of Sciences of Belarus, Minsk, Sosny 220109 (Belarus)

    2011-05-18

    In this paper, results of hydrogen production from hydrocarbons in an atmospheric pressure microwave plasma are presented. As sources of hydrogen, both methane CH{sub 4} and tetrafluoroethane C{sub 2}H{sub 2}F{sub 4} were tested. A new waveguide-based nozzleless cylinder-type microwave plasma source was used to convert hydrocarbons into hydrogen. The processed gaseous hydrocarbons were introduced into the plasma by four gas ducts which formed a swirl flow in the plasma reactor. The absorbed microwave power was up to 5 kW. The gas flow rate was up to 212 L min{sup -1}. The hydrogen mass yield rate and the corresponding energetic hydrogen mass yield were up to 866 g[H{sub 2}] h{sup -1} and 577 g [H{sub 2}] kWh{sup -1} of microwave energy absorbed by the plasma, respectively. These parameters are better than our previous results when nitrogen was used as a swirl gas and much better than those typical for other plasma methods of hydrogen production (electron beam, gliding arc, plasmatron).

  17. Bioremediation of Petroleum Hydrocarbon Contaminated Sites

    Energy Technology Data Exchange (ETDEWEB)

    Fallgren, Paul

    2009-03-30

    Bioremediation has been widely applied in the restoration of petroleum hydrocarbon-contaminated. Parameters that may affect the rate and efficiency of biodegradation include temperature, moisture, salinity, nutrient availability, microbial species, and type and concentration of contaminants. Other factors can also affect the success of the bioremediation treatment of contaminants, such as climatic conditions, soil type, soil permeability, contaminant distribution and concentration, and drainage. Western Research Institute in conjunction with TechLink Environmental, Inc. and the U.S. Department of Energy conducted laboratory studies to evaluate major parameters that contribute to the bioremediation of petroleum-contaminated drill cuttings using land farming and to develop a biotreatment cell to expedite biodegradation of hydrocarbons. Physical characteristics such as soil texture, hydraulic conductivity, and water retention were determined for the petroleum hydrocarbon contaminated soil. Soil texture was determined to be loamy sand to sand, and high hydraulic conductivity and low water retention was observed. Temperature appeared to have the greatest influence on biodegradation rates where high temperatures (>50 C) favored biodegradation. High nitrogen content in the form of ammonium enhanced biodegradation as well did the presence of water near field water holding capacity. Urea was not a good source of nitrogen and has detrimental effects for bioremediation for this site soil. Artificial sea water had little effect on biodegradation rates, but biodegradation rates decreased after increasing the concentrations of salts. Biotreatment cell (biocell) tests demonstrated hydrocarbon biodegradation can be enhanced substantially when utilizing a leachate recirculation design where a 72% reduction of hydrocarbon concentration was observed with a 72-h period at a treatment temperature of 50 C. Overall, this study demonstrates the investigation of the effects of

  18. Gain flattened L-band EDFA based on upgraded C-band EDFA using forward ASE pumping in an EDF section

    DEFF Research Database (Denmark)

    Buxens Azcoaga, Alvaro Juan; Poulsen, Henrik Nørskov; Clausen, Anders

    2000-01-01

    A novel method is presented for implementing an L-band erbium doped fibre amplifier (EDFA) making use of forward amplified spontaneous emission pumping, from a commercially available c-band EDFA, in an erbium doped fibre. Tuning of the length of erbium doped fibre enables a flat gain characteristic...... to be obtained with a low noise figure over the entire L-band window....

  19. New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

    International Nuclear Information System (INIS)

    Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

    2012-01-01

    Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

  20. Converting high boiling hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Terrisse, H; DuFour, L

    1929-02-12

    A process is given for converting high boiling hydrocarbons into low boiling hydrocarbons, characterized in that the high boiling hydrocarbons are heated to 200 to 500/sup 0/C in the presence of ferrous chloride and of such gases as hydrogen, water gas, and the like gases under a pressure of from 5 to 40 kilograms per square centimeter. The desulfurization of the hydrocarbons occurs simultaneously.

  1. Comparison of supercritical fluid and Soxhlet extractions for the quantification of hydrocarbons from Euphorbia macroclada.

    Science.gov (United States)

    Ozcan, Adnan; Ozcan, Asiye Safa

    2004-10-08

    This study compares conventional Soxhlet extraction and analytical scale supercritical fluid extraction (SFE) for their yields in extracting of hydrocarbons from arid-land plant Euphorbia macroclada. The plant material was firstly sequentially extracted with supercritical carbon dioxide, modified with 10% methanol (v/v) in the optimum conditions that is a pressure of 400atm and a temperature of 50 degrees C and then it was sonicated in methylene chloride for an additional 4h. E. macroclada was secondly extracted by using a Soxhlet apparatus at 30 degrees C for 8h in methylene chloride. The validated SFE was then compared to the extraction yield of E. macroclada with a Soxhlet extraction by using the Student's t-test at the 95% confidence level. All of extracts were fractionated with silica-gel in a glass column to get better hydrocarbon yields. Thus, the highest hydrocarbons yield from E. macroclada was achieved with SFE (5.8%) when it compared with Soxhlet extractions (1.1%). Gas chromatography (GC) analysis was performed to determine the quantitative hydrocarbons from plant material. The greatest quantitative hydrocarbon recovery from GC was obtained by supercritical carbon dioxide extract (0.6mgg(-1)).

  2. Adsorption, hydrogenation and dehydrogenation of C2H on a CoCu bimetallic layer

    Science.gov (United States)

    Wu, Donghai; Yuan, Jinyun; Yang, Baocheng; Chen, Houyang

    2018-05-01

    In this paper, adsorption, hydrogenation and dehydrogenation of C2H on a single atomic layer of bimetallic CoCu were investigated using first-principles calculations. The CoCu bimetallic layer is formed by Cu replacement of partial Co atoms on the top layer of a Co(111) surface. Our adsorption and reaction results showed those sites, which have stronger adsorption energy of C2H, possess higher reactivity. The bimetallic layer possesses higher reactivity than either of the pure monometallic layer. A mechanism of higher reactivity of the bimetallic layer is proposed and identified, i.e. in the bimetallic catalyst, the catalytic performance of one component is promoted by the second component, and in our work, the catalytic performance of Co atoms in the bimetallic layer are improved by introducing Cu atoms, lowing the activation barrier of the reaction of C2H. The bimetallic layer could tune adsorption and reaction of C2H by modulating the ratio of Co and Cu. Results of adsorption energies and adsorption configurations reveal that C2H prefers to be adsorbed in parallel on both the pure Co metallic and CoCu bimetallic layers, and Co atoms in subsurface which support the metallic or bimetallic layer have little effect on C2H adsorption. For hydrogenation reactions, the products greatly depend on the concentration and initial positions of hydrogen atoms, and the C2H hydrogenation forming acetylene is more favorable than forming vinylidene in both thermodynamics and kinetics. This study would provide fundamental guidance for hydrocarbon reactions on Co-based and/or Cu-based bimetallic surface chemistry and for development of new bimetallic catalysts.

  3. Investigation of Performance Silicon Heterojunction Solar Cells Using a-Si: H or a-SiC: H at Emitter Layer Through AMPS-1D Simulations

    Directory of Open Access Journals (Sweden)

    Asmaa BENSMAIN

    2014-05-01

    Full Text Available We offer a numerical simulation tool, AMPS-1D, which allows to model homo- as well as heterojunction devices. AMPS-1D is the short form of automat for simulation of heterostructures. The program solves the one dimensional semiconductor equations in steady-state. Furthermore, a variety of common characterization techniques have been implemented, current- voltage, external quantum efficiency, conduction and valence band. A user-friendly interface allows to easily perform parameter variations, and to visualize and compare your simulations. In this work, The silicon heterojunction cell performances are investigated by detailed described on external quantum efficiency, and light current-voltage characteristics by recognized simulator AMPS-1D (Analysis of Micro- electronics and Photonic Structures. The objective of this work is to study the correlation between the emitter properties of both heterojunction cells a-Si:H/c-Si and a-SiC:H/c-Si (absorption, defect profiles and energy band offsets and the carrier collection.

  4. IDENTIFICATION OF NEODYMIUM IN THE APOGEE H -BAND SPECTRA

    International Nuclear Information System (INIS)

    Hasselquist, Sten; Holtzman, Jon; Chojnowski, Drew; Shetrone, Matthew; Cunha, Katia; Pereira, C. B.; Smith, Verne V.; Lawler, J. E.; Prieto, Carlos Allende; García-Hernández, D. A.; Beers, Timothy C.; Placco, Vinicius M.; Zamora, Olga; Fernández-Trincado, J. G.; Hearty, Fred R.; Majewski, Steven R.; Villanova, Sandro

    2016-01-01

    We present the detection of 10 lines of singly ionized neodymium (Nd ii, Z  = 60) in H -band spectra using observations from the SDSS-III Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. These lines were detected in a metal-poor ([Fe/H] ∼ −1.5), neutron-capture element-enhanced star recently discovered in the APOGEE sample. Using an optical high-resolution spectrum, we derive a Nd abundance for this star using Nd ii lines with precise, laboratory-derived gf values. This optical abundance is used to derive log( gf ) values for the H -band lines. We use these lines to rederive Nd ii abundances for two more metal-rich, s -process enhanced stars observed by APOGEE and find that these lines yield consistent Nd ii abundances, confirming the Nd enhancement of these stars. We explore the region of parameter space in the APOGEE sample over which these lines can be used to measure Nd ii abundances. We find that Nd abundances can be reliably derived for ∼18% of the red giants observed by APOGEE. This will result in ∼50,000 Milky Way stars with Nd ii abundances following the conclusion of APOGEE-2, allowing for studies of neutron-capture element abundance distributions across the entire Milky Way.

  5. IDENTIFICATION OF NEODYMIUM IN THE APOGEE H -BAND SPECTRA

    Energy Technology Data Exchange (ETDEWEB)

    Hasselquist, Sten; Holtzman, Jon; Chojnowski, Drew [New Mexico State University, Las Cruces, NM 88003 (United States); Shetrone, Matthew [University of Texas at Austin, McDonald Observatory, Fort Davis, TX 79734 (United States); Cunha, Katia; Pereira, C. B. [Observatório Nacional/MCTI, Rua Gen. José Cristino, 77, 20921-400, Rio de Janeiro (Brazil); Smith, Verne V. [National Optical Astronomy Observatories, Tucson, AZ 85719 (United States); Lawler, J. E. [University of Wisconsin-Madison, Madison, WI 53706 (United States); Prieto, Carlos Allende; García-Hernández, D. A. [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain); Beers, Timothy C.; Placco, Vinicius M.; Zamora, Olga [Department of Physics and JINA Center for the Evolution of the Elements, University of Notre Dame, Notre Dame, IN 46556 (United States); Fernández-Trincado, J. G. [Institut Utinam, CNRS UMR 6213, Université de Franche-Comté, OSU THETA Franche-Comté-Bourgogne, Observatoire de Besançon, BP 1615, F-25010 Besançon Cedex (France); Hearty, Fred R. [Department of Astronomy and Astrophysics, The Pennsylvania State University, 525 Davey Laboratory University Park, PA 16802 (United States); Majewski, Steven R. [Department of Astronomy, University of Virginia, Charlottesville, VA 22904-4325 (United States); Villanova, Sandro, E-mail: sten@nmsu.edu, E-mail: shetrone@astro.as.utexas.edu, E-mail: cunha@email.noao.edu, E-mail: vsmith@email.noao.edu, E-mail: holtz@nmsu.edu, E-mail: jelawler@wisc.edu, E-mail: tbeers@nd.edu, E-mail: srm4n@virginia.edu, E-mail: claudio@on.br [Departamento de Astronomia, Casilla 160, Universidad de Concepción (Chile)

    2016-12-10

    We present the detection of 10 lines of singly ionized neodymium (Nd ii, Z  = 60) in H -band spectra using observations from the SDSS-III Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. These lines were detected in a metal-poor ([Fe/H] ∼ −1.5), neutron-capture element-enhanced star recently discovered in the APOGEE sample. Using an optical high-resolution spectrum, we derive a Nd abundance for this star using Nd ii lines with precise, laboratory-derived gf values. This optical abundance is used to derive log( gf ) values for the H -band lines. We use these lines to rederive Nd ii abundances for two more metal-rich, s -process enhanced stars observed by APOGEE and find that these lines yield consistent Nd ii abundances, confirming the Nd enhancement of these stars. We explore the region of parameter space in the APOGEE sample over which these lines can be used to measure Nd ii abundances. We find that Nd abundances can be reliably derived for ∼18% of the red giants observed by APOGEE. This will result in ∼50,000 Milky Way stars with Nd ii abundances following the conclusion of APOGEE-2, allowing for studies of neutron-capture element abundance distributions across the entire Milky Way.

  6. Determination of the isotope distribution in 14C-labelled hydrocarbons by thermal fragmentation

    International Nuclear Information System (INIS)

    Kopinke, F.D.; Dermietzel, J.; Jockisch, W.; Raeuber, G.

    1986-01-01

    The gas chromatographic analysis of pyrolysis products of properly labelled hydrocarbons allows a definite and quantitative determination of the 14 C-distribution in those compounds. For this purpose a simple, fast, and versatilely applicable method has been developed and described

  7. A chemical and thermodynamic model of oil generation in hydrocarbon source rocks

    Science.gov (United States)

    Helgeson, Harold C.; Richard, Laurent; McKenzie, William F.; Norton, Denis L.; Schmitt, Alexandra

    2009-02-01

    Thermodynamic calculations and Gibbs free energy minimization computer experiments strongly support the hypothesis that kerogen maturation and oil generation are inevitable consequences of oxidation/reduction disproportionation reactions caused by prograde metamorphism of hydrocarbon source rocks with increasing depth of burial.These experiments indicate that oxygen and hydrogen are conserved in the process.Accordingly, if water is stable and present in the source rock at temperatures ≳25 but ≲100 °C along a typical US Gulf Coast geotherm, immature (reduced) kerogen with a given atomic hydrogen to carbon ratio (H/C) melts incongruently with increasing temperature and depth of burial to produce a metastable equilibrium phase assemblage consisting of naphthenic/biomarker-rich crude oil, a type-II/III kerogen with an atomic hydrogen/carbon ratio (H/C) of ˜1, and water. Hence, this incongruent melting process promotes diagenetic reaction of detritus in the source rock to form authigenic mineral assemblages.However, in the water-absent region of the system CHO (which is extensive), any water initially present or subsequently entering the source rock is consumed by reaction with the most mature kerogen with the lowest H/C it encounters to form CO 2 gas and a new kerogen with higher H/C and O/C, both of which are in metastable equilibrium with one another.This hydrolytic disproportionation process progressively increases both the concentration of the solute in the aqueous phase, and the oil generation potential of the source rock; i.e., the new kerogen can then produce more crude oil.Petroleum is generated with increasing temperature and depth of burial of hydrocarbon source rocks in which water is not stable in the system CHO by a series of irreversible disproportionation reactions in which kerogens with higher (H/C)s melt incongruently to produce metastable equilibrium assemblages consisting of crude oil, CO 2 gas, and a more mature (oxidized) kerogen with a lower

  8. Analysis of Resonance Response Performance of C-Band Antenna Using Parasitic Element

    Science.gov (United States)

    Islam, M. T.; Misran, N.; Mandeep, J. S.

    2014-01-01

    Analysis of the resonance response improvement of a planar C-band (4–8 GHz) antenna is proposed using parasitic element method. This parasitic element based method is validated for change in the active and parasitic antenna elements. A novel dual-band antenna for C-band application covering 5.7 GHz and 7.6 GHz is designed and fabricated. The antenna is composed of circular parasitic element with unequal microstrip lines at both sides and a rectangular partial ground plane. A fractional bandwidth of 13.5% has been achieved from 5.5 GHz to 6.3 GHz (WLAN band) for the lower band. The upper band covers from 7.1 GHz to 8 GHz with a fractional bandwidth of 12%. A gain of 6.4 dBi is achieved at the lower frequency and 4 dBi is achieved at the upper frequency. The VSWR of the antenna is less than 2 at the resonance frequency. PMID:24895643

  9. Design and characteristics of L-C thin films filter at microwave frequency band

    Science.gov (United States)

    Kim, In-Sung; Min, Bok-Ki; Song, Jae-Sung

    2005-12-01

    Multifunction corresponding to multimedia age has furthermore required high integration to the devices at microwave band, so more evolution for multi-layer integration like system on chip(SoC) becomes to be necessary. In wireless mobile communication, portable mobile phones grew up to a huge market. Microwave devices have played an important role in the wireless communication systems. One challenge in the implementation of circuit integration is in the design of micro wave band pass filter with thin film MOM capacitor and spiral inductor. In this paper, Cu and TaO thin film with RF sputtering was deposited for inductor and capacitor on the SiO II/Si(100) substrate. MIM capacitor and spiral inductor was fabricated for L-C band pass filter by sputtering and lift-off. We are analyzed and designed thin films L-C passive components for band pass filter at 900 MHz and 1.8 GHz, an important devices for mobile communication. Based on the high-Q values of passive components, MIM capacitor and spiral inductors for L-C band pass filter, a low insertion loss of L-C passive components can be realized with a minimized chip area. The insertion loss was 3 dB for a 1.8 GHz filter, and was 5 dB for a 900 MHz filter. This paper also discusses a theoretical analysis and practical design to L-C band pass filter.

  10. Structural and optical modification in 4H-SiC following 30 keV silver ion irradiation

    Science.gov (United States)

    Kaushik, Priya Darshni; Aziz, Anver; Siddiqui, Azher M.; Lakshmi, G. B. V. S.; Syväjärvi, Mikael; Yakimova, Rositsa; Yazdi, G. Reza

    2018-05-01

    The market of high power, high frequency and high temperature based electronic devices is captured by SiC due to its superior properties like high thermal conductivity and high sublimation temperature and also due to the limitation of silicon based electronics in this area. There is a need to investigate effect of ion irradiation on SiC due to its application in outer space as outer space is surrounded both by low and high energy ion irradiations. In this work, effect of low energy ion irradiation on structural and optical property of 4H-SiC is investigated. ATR-FTIR is used to study structural modification and UV-Visible spectroscopy is used to study optical modifications in 4H-SiC following 30 keV Ag ion irradiation. FTIR showed decrease in bond density of SiC along the ion path (track) due to the creation of point defects. UV-Visible absorption spectra showed decrease in optical band gap from 3.26 eV to 2.9 eV. The study showed degradation of SiC crystallity and change in optical band gap following low energy ion irradiation and should be addressed while fabricationg devices based on SiC for outer space application. Additionally, this study provides a platform for introducing structural and optical modification in 4H-SiC using ion beam technology in a controlled manner.

  11. Biological dosimetry of absorbed radiation by C-banding of interphase chromosomes in peripheral blood lymphocytes

    International Nuclear Information System (INIS)

    Pantelias, G.E.

    1993-01-01

    In the present report a C-banding procedure, refined to avoid swelling and chromosome distortion of freshly prepared prematurely condensed chromosomes (PCCs) spreads, is used to identify aberrations in non-stimulated human lymphocytes. The method allows immediate banding of the centromeric regions and enables scoring of aberrations within a time interval (3-4h after blood sample withdrawal) that is only a fraction of that normally required when cells stimulated to proliferate are analysed at metaphase. The dose-response for dicentrics and centric rings measured in interphase lymphocytes was found to be similar to that obtained at metaphase. Measurement of dicentrics and centric rings in prematurely condensed chromosomes of human lymphocytes would provide valuable information on radiation dose estimates, especially in cases of extreme urgency. (Author)

  12. Application of backflush and micro-flow techniques to the analysis of C5-C13 hydrocarbons in crude oils and its geochemical significance

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    An Agilent 6890N GC equipped with both FID and Agilent 5975 MSD analyzer has been employed to analyze C5-C13 hydrocarbon fractions of crude oils. A technical combination of program temperature volatilizer injection, backflush and micro-flow controller afforded a fine separation of C5-C13 compounds on a PONA column with the heavy part of crude oils being cut off before entering the analytical column. Both GC-FID chromatogram and GC-MS mass chromatograrns (MID and full scan) could be obtained at the same time. The retension time differences of nC6-nC13 alkanes between GC and TIC were in the range of 0.02-0. 58 minutes. Totally 286 peaks have been assigned group compositions. Results on 8 typical oil samples from CNPC Key Laboratory Crude Oil Library showed that the characteristics of C6-C13 hydrocarbon group composition could be used in oil-oil correlation studies.

  13. Electronic transitions and band offsets in C60:SubPc and C60:MgPc on MoO3 studied by modulated surface photovoltage spectroscopy

    International Nuclear Information System (INIS)

    Fengler, S.; Dittrich, Th.; Rusu, M.

    2015-01-01

    Electronic transitions at interfaces between MoO 3 layers and organic layers of C 60 , SubPc, MgPc, and nano-composite layers of SubPc:C 60 and MgPc:C 60 have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO 3 /organic layer interfaces with a separation of holes towards MoO 3 . The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (E HL ) of C 60 , SubPc, and MgPc and the effective E HL of SubPc:C 60 and MgPc:C 60 were measured. The offsets between the LUMO (ΔE L ) or HOMO (ΔE H ) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C 60 , respectively, and to −0.33 or 0.67 eV for MgPc:C 60 , respectively. Exponential tails below E HL and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states

  14. Effect of hydration on the amide I band in the binary solvents dioxane-D2O and dioxane-H2O

    International Nuclear Information System (INIS)

    Kobayashi, M.; Kobayashi, M.

    1980-01-01

    Hydration of amides in aqueous solutions has been studied by measuring the infrared spectra of amides (benzamide, p-methoxybenzamide, and ropionamide) in dioxane-D 2 O and dioxane-H 2 O mixtures. The absorption due to the C=O stretching (or amide I band) exhibited a very remarkable red shift accompanied by a characteristic change of the band shape as the water content in the medium increased. The spectral change is attributed to the change of the hydration state at the carbonyl oxygen. In the aqueous mixtures, amide molecules participate in an equilibrium among various states of hydration. The weighted mean frequency of the ν/sub C = O/ absorption, anti ν/sub C = O/, varied in proportion to the water contained in the medium. The difference between the anti ν/sub C = O/ value in pure water and that in pure dioxane,Δ anti ν, was used as a measure of the maximum degree of hydration. It was larger for propionamide than for the aromatic amides, suggesting that the steric effect of the substituents is of major importance in hydration. The isotope effect, Δ anti ν/sub D 2 O//Δ anti ν/sub H 2 O/, in the range from 1.4 to 1.6 for all cases examined, indicated that stronger hydration of amides occurred with D 2 O than with H 2 O

  15. Biofilm comprising phototrophic, diazotrophic, and hydrocarbon-utilizing bacteria: a promising consortium in the bioremediation of aquatic hydrocarbon pollutants.

    Science.gov (United States)

    Al-Bader, Dhia; Kansour, Mayada K; Rayan, Rehab; Radwan, Samir S

    2013-05-01

    Biofilms harboring simultaneously anoxygenic and oxygenic phototrophic bacteria, diazotrophic bacteria, and hydrocarbon-utilizing bacteria were established on glass slides suspended in pristine and oily seawater. Via denaturing gradient gel electrophoresis analysis on PCR-amplified rRNA gene sequence fragments from the extracted DNA from biofilms, followed by band amplification, biofilm composition was determined. The biofilms contained anoxygenic phototrophs belonging to alphaproteobacteria; pico- and filamentous cyanobacteria (oxygenic phototrophs); two species of the diazotroph Azospirillum; and two hydrocarbon-utilizing gammaproteobacterial genera, Cycloclasticus and Oleibacter. The coexistence of all these microbial taxa with different physiologies in the biofilm makes the whole community nutritionally self-sufficient and adequately aerated, a condition quite suitable for the microbial biodegradation of aquatic pollutant hydrocarbons.

  16. Ab-initio modeling of oxygen on the surface passivation of 3C-SiC nanostructures

    International Nuclear Information System (INIS)

    Cuevas, J.L.; Trejo, A.; Calvino, M.; Carvajal, E.; Cruz-Irisson, M.

    2012-01-01

    In this work the effect of OH on the electronic states of H-passivated 3C-SiC nanostructures, was studied by means of Density Functional Theory. We compare the electronic band structure for a [1 1 1]-oriented nanowire with total H, OH passivation and a combination of both. Also the electronic states of a porous silicon carbide case (PSiC) a C-rich pore surface in which the dangling bonds on the surface are saturated with H and OH was studied. The calculations show that the surface replacement of H with OH radicals is always energetically favorable and more stable. In all cases the OH passivation produced a similar effect than the H passivation, with electronic band gap of lower energy value than the H-terminated phase. When the OH groups are attached to C atoms, the band gap feature is changed from direct to indirect. The results indicate the possibility of band gap engineering on SiC nanostructures through the surface passivation species.

  17. Effect of the CO2/SiH4 Ratio in the p-μc-SiO:H Emitter Layer on the Performance of Crystalline Silicon Heterojunction Solar Cells

    OpenAIRE

    Sritharathikhun, Jaran; Krajangsang, Taweewat; Moollakorn, Apichan; Inthisang, Sorapong; Limmanee, Amornrat; Hongsingtong, Aswin; Boriraksantikul, Nattaphong; Taratiwat, Tianchai; Akarapanjavit, Nirod; Sriprapha, Kobsak

    2014-01-01

    This paper reports the preparation of wide gap p-type hydrogenated microcrystalline silicon oxide (p-μc-SiO:H) films using a 40 MHz very high frequency plasma enhanced chemical vapor deposition technique. The reported work focused on the effects of the CO2/SiH4 ratio on the properties of p-μc-SiO:H films and the effectiveness of the films as an emitter layer of crystalline silicon heterojunction (c-Si-HJ) solar cells. A p-μc-SiO:H film with a wide optical band gap (E04), 2.1 eV, can be obtain...

  18. Kinetics of the reactions H+C2H4->C2H5, H+C2H5->2CH3 and CH3+C2H5->products studies by pulse radiolysis combined with infrared diode laser spectroscopy

    DEFF Research Database (Denmark)

    Sillesen, A.; Ratajczak, E.; Pagsberg, P.

    1993-01-01

    Formation of methyl radicals via the consecutive reactions H+C2H4+M-->C2H5+M (1) and H+C2H5-->CH3+CH3 (2a) was initiated by pulse radiolysis of 10-100 mbar H-2 in the presence of ethylene. The kinetics of CH3 Were studied by monitoring the transient infrared absorption at the Q(3, 3) line of the ...

  19. Chemical Complexity in Local Diffuse and Translucent Clouds: Ubiquitous Linear C3H and CH3CN, a Detection of HC3N and an Upper Limit on the Abundance of CH2CN

    Science.gov (United States)

    Liszt, Harvey; Gerin, Maryvonne; Beasley, Anthony; Pety, Jerome

    2018-04-01

    We present Jansky Very Large Array observations of 20–37 GHz absorption lines from nearby Galactic diffuse molecular gas seen against four cosmologically distant compact radio continuum sources. The main new observational results are that l-C3H and CH3CN are ubiqitous in the local diffuse molecular interstellar medium at {\\text{}}{A}{{V}} ≲ 1, while HC3N was seen only toward B0415 at {\\text{}}{A}{{V}} > 4 mag. The linear/cyclic ratio is much larger in C3H than in C3H2 and the ratio CH3CN/HCN is enhanced compared to TMC-1, although not as much as toward the Horsehead Nebula. More consequentially, this work completes a long-term program assessing the abundances of small hydrocarbons (CH, C2H, linear and cyclic C3H and C3 {{{H}}}2, and C4H and C4H‑) and the CN-bearing species (CN, HCN, HNC, HC3N, HC5N, and CH3CN): their systematics in diffuse molecular gas are presented in detail here. We also observed but did not strongly constrain the abundances of a few oxygen-bearing species, most prominently HNCO. We set limits on the column density of CH2CN, such that the anion CH2CN‑ is only viable as a carrier of diffuse interstellar bands if the N(CH2CN)/N(CH2CN‑) abundance ratio is much smaller in this species than in any others for which the anion has been observed. We argue that complex organic molecules (COMS) are not present in clouds meeting a reasonable definition of diffuse molecular gas, i.e., {\\text{}}{A}{{V}} ≲ 1 mag. Based on observations obtained with the NRAO Jansky Very Large Array (VLA).

  20. SHS-produced intermetallides as catalysts for hydrocarbons synthesis from CO and H{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Eliseev, O.L.; Kazantsev, R.V.; Davydov, P.E.; Lapidus, A.L. [Russian Academy of Sciences, Moscow (Russian Federation). N.D. Zelinsky Institute of Organic Chemistry; Borshch, V.N.; Pugacheva, E.V. [Russian Academy of Sciences, Chernogolovka (Russian Federation). Inst. of Structural Macrokinetics and Materials Science

    2012-07-01

    Raney-type polymetallic alloys were prepared by Self-Propagating High-Temperature Synthesis followed by alkaline treating. Surface morphology and composition of were studied using XRD, BET, SEM and EMPA techniques. The samples were tested in Fischer-Tropsch synthesis demonstrated rather high activity and very high selectivity to heavy paraffins. High selectivity to C{sub 5+} hydrocarbons is attributed to high thermal conductivity of alloys which prevents hot spots formation and therefore suppresses formation of methane and light hydrocarbons. Selectivity can be further improved by adding some d-metals in catalyst composition. Promotion with La seems to be particularly suitable for lowering methane formation while doping with Ni enhances methane yield greatly. (orig.)

  1. Receptor modeling of C2─C7 hydrocarbon sources at an urban background site in Zurich, Switzerland: changes between 1993─1994 and 2005─2006

    Directory of Open Access Journals (Sweden)

    S. Reimann

    2008-05-01

    Full Text Available Hourly measurements of 13 volatile hydrocarbons (C2–C7 were performed at an urban background site in Zurich (Switzerland in the years 1993–1994 and again in 2005–2006. For the separation of the volatile organic compounds by gas-chromatography (GC, an identical chromatographic column was used in both campaigns. Changes in hydrocarbon profiles and source strengths were recovered by positive matrix factorization (PMF. Eight and six factors could be related to hydrocarbon sources in 1993–1994 and in 2005–2006, respectively. The modeled source profiles were verified by hydrocarbon profiles reported in the literature. The source strengths were validated by independent measurements, such as inorganic trace gases (NOx, CO, SO2, methane (CH4, oxidized hydrocarbons (OVOCs and meteorological data (temperature, wind speed etc.. Our analysis suggests that the contribution of most hydrocarbon sources (i.e. road traffic, solvents use and wood burning decreased by a factor of about two to three between the early 1990s and 2005–2006. On the other hand, hydrocarbon losses from natural gas leakage remained at relatively constant levels (−20%. The estimated emission trends are in line with the results from different receptor-based approaches reported for other European cities. Their differences to national emission inventories are discussed.

  2. Impact of bacterial and fungal processes on 14C-hexadecane mineralisation in weathered hydrocarbon contaminated soil

    International Nuclear Information System (INIS)

    Adetutu, Eric M.; Ball, Andy S.; Weber, John; Aleer, Samuel; Dandie, Catherine E.; Juhasz, Albert L.

    2012-01-01

    In this study, the impact of bacterial and fungal processes on 14 C-hexadecane mineralisation was investigated in weathered hydrocarbon contaminated soil. The extent of 14 C-hexadecane mineralisation varied depending on the bioremediation strategy employed. Under enhanced natural attenuation conditions, 14 C-hexadecane mineralisation after 98 days was 8.5 ± 3.7% compared to 14 C-hexadecane mineralisation was further enhanced through Tween 80 amendments (28.9 ± 2.4%) which also promoted the growth of a Phanerochaete chyrsosporium fungal mat. Although fungal growth in weathered hydrocarbon contaminated soil could be promoted through supplementing additional carbon sources (Tween 80, sawdust, compost, pea straw), fungal 14 C-hexadecane mineralisation was negligible when sodium azide was added to soil microcosms to inhibit bacterial activity. In contrast, when fungal activity was inhibited through nystatin additions, 14 C-hexadecane mineralisation ranged from 6.5 ± 0.2 to 35.8 ± 3.8% after 98 days depending on the supplied amendment. Bacteria inhibition with sodium azide resulted in a reduction in bacterial diversity (33–37%) compared to microcosms supplemented with nystatin or microcosms without inhibitory supplements. However, alkB bacterial groups were undetected in sodium azide supplemented microcosms, highlighting the important role of this bacterial group in 14 C-hexadecane mineralisation. - Highlights: ► The roles of different microbial groups in hydrocarbon mineralisation was assessed. ► Inhibiting fungal growth did not affect 14 C-hexadecane mineralisation. ► Inhibiting bacterial growth resulted in negligible 14 C-hexadecane mineralisation. ► alkB bacterial groups were undetected in sodium azide supplemented microcosms. ► The importance of alkB groups in 14 C-hexadecane mineralisation was highlighted.

  3. Conversion of methanol to hydrocarbons over conventional and mesoporous H-ZSM-5 and H-Ga-MFI: Major differences in deactivation behavior

    DEFF Research Database (Denmark)

    Mentzel, Uffe Vie; Højholt, Karen Thrane; Holm, Martin Spangsberg

    2012-01-01

    . In the methanol-to-hydrocarbons (MTH) process, H-ZSM-5 is subjected to coke formation leading to catalyst deactivation. Here we show that when the gallium containing zeotypes are employed in the MTH process, only insignificant amounts of coke are present in the deactivated catalysts, indicating distinct...... (hydrolysis) of the Ga&sbnd;O bonds in the zeolite structure rather than coke deposition....

  4. A new face of phenalenyl-based radicals in the transition metal-free C-H arylation of heteroarenes at room temperature: trapping the radical initiator via C-C σ-bond formation.

    Science.gov (United States)

    Ahmed, Jasimuddin; P, Sreejyothi; Vijaykumar, Gonela; Jose, Anex; Raj, Manthan; Mandal, Swadhin K

    2017-11-01

    The radical-mediated transition metal-free approach for the direct C-H bond functionalization of arenes is considered as a cost effective alternative to transition metal-based catalysis. An organic ligand-based radical plays a key role by generating an aryl radical which undergoes a subsequent functionalization process. The design principle of the present study takes advantage of a relatively stable odd alternant hydrocarbon-based phenalenyl (PLY) radical. In this study, the first transition metal-free catalyzed direct C-H arylation of a variety of heteroarenes such as azoles, furan, thiophene and pyridine at room temperature has been reported using a phenalenyl-based radical without employing any photoactivation step. This protocol has been successfully applied to the gram scale synthesis of core moieties of bioactive molecules. The phenalenyl-based radical initiator has been characterized crystallographically by trapping it via the formation of a C-C σ-bond between the phenalenyl radical and solvent-based radical species.

  5. Sustainable hydrocarbon fuels by recycling CO2 and H2O with renewable or nuclear energy

    DEFF Research Database (Denmark)

    Graves, Christopher R.; Ebbesen, Sune; Mogensen, Mogens Bjerg

    2011-01-01

    ) and biofuels have received the most attention, similar hydrocarbons can be produced without using fossil fuels or biomass. Using renewable and/or nuclear energy, carbon dioxide and water can be recycled into liquid hydrocarbon fuels in non-biological processes which remove oxygen from CO2 and H2O (the reverse...... of fuel combustion). Capture of CO2 from the atmosphere would enable a closed-loop carbon-neutral fuel cycle. This article critically reviews the many possible technological pathways for recycling CO2 into fuels using renewable or nuclear energy, considering three stages—CO2 capture, H2O and CO2...... by Fischer–Tropsch synthesis is identified as one of the most promising, feasible routes. An analysis of the energy balance and economics of this CO2 recycling process is presented. We estimate that the full system can feasibly operate at 70% electricity-to-liquid fuel efficiency (higher heating value basis...

  6. Comparison of plants with C3 and C4 carbon fixation pathways for remediation of polycyclic aromatic hydrocarbon contaminated soils

    OpenAIRE

    Sivaram, Anithadevi Kenday; Logeshwaran, Panneerselvan; Subashchandrabose, Suresh R.; Lockington, Robin; Naidu, Ravi; Megharaj, Mallavarapu

    2018-01-01

    The phytoremediation technique has been demonstrated to be a viable option for the remediation of polycyclic aromatic hydrocarbons (PAHs) contaminated sites. This study evaluated the potential applicability of plants with C3 and C4 carbon fixation pathways for the phytoremediation of recalcitrant high molecular weight (HMW) PAHs contaminated soil. A 60 and 120-day greenhouse study was conducted which showed higher degradation of HMW PAHs in soil grown with C4 plants when compared to C3 plants...

  7. Measurement of 2J(H,C)- and 3J(H,C)-coupling constants by α/β selective HC(C)H-TOCSY

    International Nuclear Information System (INIS)

    Duchardt, Elke; Richter, Christian; Reif, Bernd; Glaser, Steffen J.; Engels, Joachim W.; Griesinger, Christian; Schwalbe, Harald

    2001-01-01

    A new heteronuclear NMR pulse sequence for the measurement of n J(C,H) coupling constants, the α/βselective HC(C)H-TOCSY, is described. It is shown that the S 3 E element (Meissner et al., 1997a,b) can be used to obtain spin state selective coherence transfer in molecules, in which adjacent CH moieties are labeled with 13 C. Application of the α/β selective HC(C)H-TOCSY to a 10nt RNA tetraloop 5'-CGCUUUUGCG-3', in which the four uridine residues are 13 C labeled in the sugar moiety, allowed measurement of two bond and three bond J(C,H) coupling constants, which provide additional restraints to characterize the sugar ring conformation of RNA in cases of conformational averaging

  8. The infrared emission bands. III. Southern IRAS sources.

    Science.gov (United States)

    Cohen, M; Tielens, A G; Bregman, J; Witteborn, F C; Rank, D M; Allamandola, L J; Wooden, D H; de Muizon, M

    1989-06-01

    We present airborne 5-8 micrometers spectra of southern IRAS sources which reveal strong polycyclic aromatic hydrocarbon (PAH) emission features. The good correlation between the bands, in particular the dominant 6.2 and "7.7" micrometers features, strongly imply a common carrier, reinforcing the PAH hypothesis. However, small but detectable spectral variations exist. Planetaries have a distinctly different ratio of I(6.2)/I(7.7) than other nebulae, accompanied by a redward shift in the actual wavelength of the "7.7" micrometers peak. Further, we have detected a new feature, previously predicted from laboratory spectra of PAH molecules, at 5.2 micrometers in many of these sources. Spectra of two rare [WC 10] planetary nebular nuclei indicate a very prominent plateau of emission, linking the 6.2 and 7.7 micrometers bands. Several of our sources show definite evidence for emission structure between 14 and 23 micrometers in their IRAS Low-Resolution Spectral Atlas spectra: we attribute this structure to PAH bands. too. We have defined the "generic" spectrum of emission bands relating the mean intensities of each band to that of the strongest, near 7.7 micrometers. We have added three more planetary or protoplanetary nebulae to our correlation between 7.7 micrometers band intensity and nebular gas phase C/O ratio, namely NGC 6302, HR 4049, and the highly carbon-rich [WC 10] nucleus, CPD--56 degrees 8032. For the latter we have determined a ratio for C/O of approximately 4.8 from IUE observations. The good correlation between the intensity ratio of the "7.7" micrometers feature relative to the far-infrared dust continuum and nebular C/O also supports a carbonaceous carrier for these emission features.

  9. Formation of H{sub 2} from internally heated polycyclic aromatic hydrocarbons: Excitation energy dependence

    Energy Technology Data Exchange (ETDEWEB)

    Chen, T., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se; Gatchell, M.; Stockett, M. H.; Schmidt, H. T.; Cederquist, H.; Zettergren, H., E-mail: tao.chen@fysik.su.se, E-mail: henning@fysik.su.se [Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden); Delaunay, R.; Rousseau, P.; Adoui, L. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Université de Caen Basse-Normandie, Esplanade de la Paix, F-14032 Caen (France); Domaracka, A.; Huber, B. A. [CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen cedex 05 (France); Micelotta, E. R. [Université Paris Sud, Institut d’Astrophysique Spatiale, UMR 8617, 91405 Orsay (France); Tielens, A. G. G. M. [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands)

    2015-04-14

    We have investigated the effectiveness of molecular hydrogen (H{sub 2}) formation from Polycyclic Aromatic Hydrocarbons (PAHs) which are internally heated by collisions with keV ions. The present and earlier experimental results are analyzed in view of molecular structure calculations and a simple collision model. We estimate that H{sub 2} formation becomes important for internal PAH temperatures exceeding about 2200 K, regardless of the PAH size and the excitation agent. This suggests that keV ions may effectively induce such reactions, while they are unlikely due to, e.g., absorption of single photons with energies below the Lyman limit. The present analysis also suggests that H{sub 2} emission is correlated with multi-fragmentation processes, which means that the [PAH-2H]{sup +} peak intensities in the mass spectra may not be used for estimating H{sub 2}-formation rates.

  10. Karyotype and C-banding analyses of haploid male chromosomes ...

    African Journals Online (AJOL)

    Prior to the swarming season, drone-brood cells were added adjoining to the lower rows of the worker-brood cells. Testes from young larvae were removed, fixed in acetic acid methanol (1:3), and stored at -20°C. The slides pretreatment were made by usual air dry method. C-banding and staining was carried out by barium ...

  11. Kinematics of deformation bands in an austenitic FeMnC TWIP steel

    International Nuclear Information System (INIS)

    Chateau, J P; Jacques, A; Lebedkina, T A; Lebyodkin, M A; Allain, S

    2010-01-01

    Tensile tests on a Fe22Mn0.6C steel at room temperature and different strain rates show serrations on the curves similar to Portevin-Le Chatelier (PLC) serrations of type A, associated with negative strain rate sensitivity. Propagation of deformation bands have been observed by high-rate extensometry over more than two orders of magnitude of the applied strain rate. This constitutes a remarkable difference with the PLC effect which shows a transition to static bands (type B or C) when the applied strain rate decreases. In this steel, bands moving as slow as a few tenth of mm/s are observed instead of static bands, which is two orders of magnitude lower than what is reported for type A PLC bands. This emphasises a strong correlation between plastic events, also confirmed by multifractal analysis of the tensile curves. Twinning which is responsible of the high strain hardening rate of this steel at room temperature is discussed as one of mechanisms of correlation between instabilities.

  12. Strain-engineered band parameters of graphene-like SiC monolayer

    International Nuclear Information System (INIS)

    Behera, Harihar; Mukhopadhyay, Gautam

    2014-01-01

    Using full-potential density functional theory (DFT) calculations we show that the band gap and effective masses of charge carriers in SiC monolayer (ML-SiC) in graphene-like two-dimensional honeycomb structure are tunable by strain engineering. ML-SiC was found to preserve its flat 2D graphene-like structure under compressive strain up to 7%. A transition from indirect-to-direct gap-phase is predicted to occur for a strain value lying within the interval (1.11 %, 1.76%). In both gap-phases band gap decreases with increasing strain, although the rate of decrease is different in the two gap-phases. Effective mass of electrons show a non-linearly decreasing trend with increasing tensile strain in the direct gap-phase. The strain-sensitive properties of ML-SiC, may find applications in future strain-sensors, nanoelectromechanical systems (NEMS) and nano-optomechanical systems (NOMS) and other nano-devices

  13. Development of small C-band standing-wave accelerator structure

    International Nuclear Information System (INIS)

    Miura, S.; Takahashi, A.; Hisanaga, N.; Sekido, H.; Yoshizumi, A.

    2000-01-01

    We have newly developed a compact C-band (5712 MHz) standing-wave accelerator for the medical product/waste sterilization applications. The accelerator consists of an electron gun operating at 25 kV DC followed by a single-cell pre-buncher and 3-cell buncher section, and 11-cell of the side-coupled standing-wave accelerating structure. The total length including the electron gun is about 600 mm. The first high-power test was performed in March 2000, where the accelerator successively generated the electron beam of 9 MeV energy and 160 mA peak-current at 3.8 MW RF input power. Mitsubishi Heavy Industry starts to serve the sterilization systems using C-band accelerator reported here, and also supplies the accelerator components for the medical oncology applications. (author)

  14. Stability and isomerization reactions of phenyl cation C{sub 6}H{sub 5}{sup +} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Dandan [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yang, Xue [College of Science, Jilin Institute of Chemical Technology, Jilin 132022 (China); Zhang, Xiaomei; Shan, Shimin [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Xu, Haifeng, E-mail: xuhf@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China); Yan, Bing, E-mail: yanbing@jlu.edu.cn [Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012 (China); Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy (Jilin University), Changchun 130012 (China)

    2016-03-01

    Highlights: • A total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations were obtained at density functional theory. • The stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers were performed. • The structures, frequencies, thermodynamic properties of isomers were summarized. • Ring to ring or chain isomerization pathways were investigated using IRC method. • Result shows reactions contain hydrogen transfer, bond broken and reconstruction. - Abstract: As a key polyatomic molecular cation that plays a pivotal role in growth of the polycyclic aromatic hydrocarbons, phenyl cation C{sub 6}H{sub 5}{sup +} exhibits various isomers and isomerization reactions. Investigation on the structure and stability of the isomers as well as the isomerization is important for better understanding the chemical reactions involving C{sub 6}H{sub 5}{sup +} cations. In this work, we have performed a theoretical study on the stability and isomerization reactions of C{sub 6}H{sub 5}{sup +} isomers at density functional theory B3LYP/6-311G (d, p) level. We have obtained a total of 60 isomers of C{sub 6}H{sub 5}{sup +} cations, most of which are reported for the first time. The geometries, vibrational frequencies, thermodynamic properties and stability of 28 out of 60 isomers have been summarized in detail. Different ring-to-ring and ring-to-chain isomerization pathways, which are connected via 28 transition states, have been investigated using the intrinsic reaction coordinate method. The results show that the isomerization reactions occur via hydrogen migration followed by bond-breaking and reconstruction.

  15. Laboratory Infrared Spectra of Polycyclic Aromatic Nitrogen Heterocycles: Quinoline, and Phenanthridine in Solid Argon and H2O

    Science.gov (United States)

    Bernstein, M. P.; Mattioda, A. L.; Sandford, S. A.; Hudgins, D. M.

    2004-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are common throughout the universe. Their detection and identification are based on telescopic infrared (IR) spectra compared with laboratory data. Polycyclic Aromatic Nitrogen Heterocycles (PANHs) are heterocyclic aromatics i.e., PAHs with carbon atoms replaced by a nitrogen atom. These molecules should be present in the interstellar medium, but have received relatively little attention. We present mid-IR spectra of two PANHs, quinoline (C9H7N), and phenanthridine (C13H9N) isolated in solid argon and frozen in solid H2O at 12 K, conditions yielding data directly comparable to astronomical observations. In contrast to simple PAHs, that do not interact strongly with solid H2O, the nitrogen atoms in PANHs are potentially capable of hydrogen bonding with H2O. Whereas the IR spectrum of phenanthridine in H2O is similar to that of the same compound isolated in an argon matrix, quinoline absorptions shift up to 16 cm(sup -1) (0.072 mm) between argon and H2O. Thus, astronomers will not always be able to rely on IR band positions of matrix isolated PANHs to correctly interpret the absorptions of PANHs frozen in H2O ice grains. Furthermore, our data suggest that relative band areas also vary, so determining column densities to better than a factor of 3 will require knowledge of the matrix in which the PANH is embedded and laboratory studies of relevant samples.

  16. Si/C and H coadsorption at 4H-SiC{0001} surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wachowicz, E., E-mail: elwira@ifd.uni.wroc.pl [Institute of Experimental Physics, University of Wrocław, Plac M. Borna 9, PL-50-204 Wrocław (Poland); Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, PL-02-106 Warsaw (Poland)

    2016-06-15

    Highlights: • Si on C-terminated and C on Si-terminated surface adsorb in the H{sub 3} hollow site. • The preferred adsorption site is in contrary to the stacking order of bulk crystal. • The presence of hydrogen increases the adsorption energy of Si/C. • Hydrogen weakens the bonds between the adsorbed Si or C and the surface. • Carbon adsorbs on top of the surface carbon on the C-terminated surface. • With both C and H on Si-terminated surface the surface state vanishes. - Abstract: Density functional theory (DFT) study of adsorption of 0.25 monolayer of either Si or C on 4H-SiC{0001} surfaces is presented. The adsorption in high-symmetry sites on both Si- and C-terminated surfaces was examined and the influence of the preadsorbed 0.25 ML of hydrogen on the Si/C adsorption was considered. It was found out that for Si on C-terminated surface and C on Si-terminated the most favourable is threefolded adsorption site on both clean and H-precovered surface. This is contrary to the bulk crystal stacking order which would require adsorption on top of the topmost surface atom. In those cases, the presence of hydrogen weakens the bonding of the adsorbate. Carbon on the C-terminated surface, only binds on-top of the surface atom. The C−C bond-length is almost the same for the clean surface and for one with H and equals to ∼1.33 Å which is shorter by ∼0.2 than in diamond. The analysis of the electronic structure changes under adsorption is also presented.

  17. Electrical properties of SiO{sub 2}/SiC interfaces on 2°-off axis 4H-SiC epilayers

    Energy Technology Data Exchange (ETDEWEB)

    Vivona, M., E-mail: marilena.vivona@imm.cnr.it [CNR-IMM, Strada VIII, n. 5 – Zona Industriale, I-95121 Catania (Italy); Fiorenza, P. [CNR-IMM, Strada VIII, n. 5 – Zona Industriale, I-95121 Catania (Italy); Sledziewski, T.; Krieger, M. [Friedrich-Alexander-University (FAU) Erlangen-Nuremberg, Department of Physics, Staudtstrasse 7/Bld. A3, D-91058 Erlangen (Germany); Chassagne, T.; Zielinski, M. [NOVASiC, Savoie Technolac, BP267, F-73375 Le Bourget-du-Lac Cedex (France); Roccaforte, F. [CNR-IMM, Strada VIII, n. 5 – Zona Industriale, I-95121 Catania (Italy)

    2016-02-28

    Graphical abstract: - Highlights: • Processing and electrical characterization of MOS capacitors fabricated on 4H-SiC epilayers grown on 2°-off axis heavily doped substrates. • Excellent characteristics of the SiO{sub 2}/4H-SiC interface in terms of flatness, interface state density and oxide reliability. • Electrical behavior of the MOS devices comparable with that obtained for the state-of-the-art of 4°-off axis 4H-SiC material. • Demonstration of the maturity of the 2°-off axis material for application in 4H-SiC MOSFET device technology. - Abstract: In this paper, the electrical properties of the SiO{sub 2}/SiC interface on silicon carbide (4H-SiC) epilayers grown on 2°-off axis substrates were studied. After epilayer growth, chemical mechanical polishing (CMP) allowed to obtain an atomically flat surface with a roughness of 0.14 nm. Metal-oxide-semiconductor (MOS) capacitors, fabricated on this surface, showed an interface state density of ∼1 × 10{sup 12} eV{sup −1} cm{sup −2} below the conduction band, a value which is comparable to the standard 4°-off-axis material commonly used for 4H-SiC MOS-based device fabrication. Moreover, the Fowler–Nordheim and time-zero-dielectric breakdown analyses confirmed an almost ideal behavior of the interface. The results demonstrate the maturity of the 2°-off axis material for 4H-SiC MOSFET device fabrication.

  18. Solo Mycoremediation Impacted by Waste Hydrocarbons

    Directory of Open Access Journals (Sweden)

    Franklin Santos Freire

    2015-06-01

    Full Text Available Oil and its derivatives are the principal means of energy generation for vehicles that transport raw materials and goods produced in developed and developing regions accentuating the risk of accidents by spills in stockpiling, transport, use or discarding. The contamination by total hydrocarbons suggests the elevated propension to mutations and to the formation of carcinogenic tumors, as a consequence of the exposure to human contamination by these products. This work had as aims: a To investigate, in a laboratorial scale, the degrading capacity of autochthonous microbiota in the presence of differing concentrations of hydrocarbons (0%, 2,5%, 5% e 7,5%; b To isolate fungi tolerant to the contaminant; c To quantify and analyze the biodegradation capacity of soil through the microbial biomass and metabolic quotient; and d To set, in laboratory, ideal conditions of biodegradation of the xenobiotic compound. Some parameters of microbial activity have been evaluated, such as: biological (Carbon of microbial biomass, CO2 , qCO2 emission, and fungi growth, chemical (pH, electrical conductivity –EC –, analysis of fertility and total hydrocarbons and physical (physical composition of the soil for analysis and comparisons. The obtained results suggest that the adding of 5% of waste oil in the ground provided ideal condition for the biodegradation of he   contaminant in the environment. From the evaluated parameters, the emission of CO2 and microbial C were considered more indicative of changes in soil microbial activity subject to the addition of hydrocarbons, confirming the possibility of microremediation use.

  19. Crystal structure, quantum mechanical investigation, IR and NMR spectroscopy of two new organic perchlorates: (C6H18N3)·(ClO4)3H2O (I) and (C9H11N2)·ClO4(II)

    Science.gov (United States)

    Bayar, I.; Khedhiri, L.; Soudani, S.; Lefebvre, F.; Ferretti, V.; Ben Nasr, C.

    2018-06-01

    The reaction of perchloric acid with 1-(2-aminoethyl)piperazine or 5,6-dimethyl-benzimidazole results in the formation of 1-(2-amonioethyl)piperazine-1,4-dium triperchlorate hydrate (C6H18N3)·(ClO4)3·H2O (I) or 5,6-dimethyl-benzylimidazolium perchlorate (C9H11N2)·ClO4(II). Both compounds were fully structurally characterized including single crystal X-ray diffraction analysis. Compound (I) crystallizes in the centrosymmetric triclinic space group P 1 bar with the lattice parameters a = 7.455 (2), b = 10.462 (2), c = 10.824 (2) Å, α = 80.832 (2), β = 88.243 (2), γ = 88.160 (2) °, Z = 2 and V = 832.77 (3) Å3. Compound (II) has been found to belong to the P21/c space group of the monoclinic system, with a = 7.590 (3), b = 9.266 (3), c = 16.503 (6) Å, β = 107.38 (2) °, V = 1107.69 (7) Å3 and Z = 4. The structures of (I) and (II) consist of slightly distorted [ClO4]- tetrahedra anions and 1-(2-amonioethyl)piperazine-1,4-dium trication (I) or 5,6-dimethyl-benzylimidazolium cations (II) and additionally a lattice water in (I). The crystal structures of (I) and (II) exhibit complex three-dimensional networks of H-bonds connecting all their components. In the atomic arrangement of (I), the ClO4- anions form corrugated chains, while in (II) the atomic arrangement exhibits wide pseudo-hexagonal channels of ClO4 tetrahedra including the organic entities. The lattice water serves as a link between pairs of cations and pairs of anions via several Osbnd H⋯O and N-H⋯O interactions in compound (I). The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid-state 13C, 35Cl and 15N NMR spectroscopy. DFT calculations allowed the attribution of the IR and NMR bands. Intermolecular interactions were investigated by Hirshfeld surfaces. Electronic properties such as HOMO and LUMO energies were derived.

  20. Geochemical assessment of light gaseous hydrocarbons in near-surface soils of Kutch-Saurashtra: Implication for hydrocarbon prospects

    Science.gov (United States)

    Rao, P. Lakshmi Srinivasa; Madhavi, T.; Srinu, D.; Kalpana, M. S.; Patil, D. J.; Dayal, A. M.

    2013-02-01

    Light hydrocarbons in soil have been used as direct indicators in geochemical hydrocarbon exploration, which remains an unconventional path in the petroleum industry. The occurrence of adsorbed soil gases, methane and heavier homologues were recorded in the near-surface soil samples collected from Kutch-Saurashtra, India. Soil gas alkanes were interpreted to be derived from deep-seated hydrocarbon sources and have migrated to the surface through structural discontinuities. The source of hydrocarbons is assessed to be thermogenic and could have been primarily derived from humic organic matter with partial contribution from sapropelic matter. Gas chromatographic analyses of hydrocarbons desorbed from soil samples through acid extraction technique showed the presence of methane through n-butane and the observed concentrations (in ppb) vary from: methane (C1) from 4-291, ethane (C2) from 0-84, propane (C3) from 0-37, i-butane (iC4) from 0-5 and n-butane (nC4) from 0-4. Carbon isotopes measured for methane and ethane by GC-C-IRMS, range between -42.9‰ to -13.3‰ (Pee Dee Belemnite - PDB) and -21.2‰ to -12.4‰ (PDB), respectively. The increased occurrence of hydrocarbons in the areas near Anjar of Kutch and the area south to Rajkot of Saurashtra signifies the area potential for oil and gas.

  1. Signatures in vibrational and UV-visible absorption spectra for identifying cyclic hydrocarbons by graphene fragments.

    Science.gov (United States)

    Meng, Yan; Wu, Qi; Chen, Lei; Wangmo, Sonam; Gao, Yang; Wang, Zhigang; Zhang, Rui-Qin; Ding, Dajun; Niehaus, Thomas A; Frauenheim, Thomas

    2013-12-21

    To promote possible applications of graphene in molecular identification based on stacking effects, in particular in recognizing aromatic amino acids and even sequencing nucleobases in life sciences, we comprehensively study the interaction between graphene segments and different cyclic organic hydrocarbons including benzene (C6H6), cyclohexane (C6H12), benzyne (C6H4), cyclohexene (C6H10), 1,3-cyclohexadiene (C6H8(1)) and 1,4-cyclohexadiene (C6H8(2)), using the density-functional tight-binding (DFTB) method. Interestingly, we find obviously different characteristics in Raman vibrational and ultraviolet visible absorption spectra of the small molecules adsorbed on the graphene sheet. Specifically, we find that both spectra involve clearly different characteristic peaks, belonging to the different small molecules upon adsorption, with the ones of ionized molecules being more substantial. Further analysis shows that the adsorptions are almost all due to the presence of dispersion energy in neutral cases and involve charge transfer from the graphene to the small molecules. In contrast, the main binding force in the ionic adsorption systems is the electronic interaction. The results present clear signatures that can be used to recognize different kinds of aromatic hydrocarbon rings on graphene sheets. We expect that our findings will be helpful for designing molecular recognition devices using graphene.

  2. Impact of nitrogen-polycyclic aromatic hydrocarbons on phenanthrene and benzo[a]pyrene mineralisation in soil.

    Science.gov (United States)

    Anyanwu, Ihuoma N; Ikpikpini, Ojerime C; Semple, Kirk T

    2018-01-01

    When aromatic hydrocarbons are present in contaminated soils, they often occur in mixtures. The impact of four different (3-ring) nitrogen-containing polycyclic aromatic hydrocarbons (N-PAHs) on 12/14 C-phenanthrene and 12/14 C-benzo[a]pyrene (B[a]P) mineralisation in soil was investigated over a 90 d incubation period. The results revealed that both 12/14 C-phenanthrene and 12/14 C-benzo[a]pyrene showed no significant mineralisation in soils amended with 10mgkg -1 and 100mgkg -1 N-PAHs (p>0.05). However, increases in lag-phases and decreases in the rates and extents of mineralisation were observed, over time. Among the N-PAHs, benzo[h]quinoline impacted 14 C-phenanthrene mineralisation with extended and diauxic lag phases. Furthermore, 12/14 C-B[a]P and 14 C-benzo[a]pyrene-nitrogen-containing polycyclic aromatic hydrocarbons ( 14 C-B[a]P-N-PAHs) amended soils showed extensive lag phases (> 21 d); with some 14 C-B[a]P-N-PAH mineralisation recording polycyclic aromatic hydrocarbons (PAHs) and the impact was most likely the result of limited success in achieving absolute biodegradation of some PAHs in soil. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Selective hydrodeoxygenation of biomass-derived oxygenates to unsaturated hydrocarbons using molybdenum carbide catalysts.

    Science.gov (United States)

    Ren, Hui; Yu, Weiting; Salciccioli, Michael; Chen, Ying; Huang, Yulin; Xiong, Ke; Vlachos, Dionisios G; Chen, Jingguang G

    2013-05-01

    Which cleavage do you prefer? With a combination of density functional theory (DFT) calculations, surface science studies, and reactor evaluations, Mo(2)C is identified as a highly selective HDO catalyst to selectively convert biomass-derived oxygenates to unsaturated hydrocarbons through selective C-O bond scissions without C-C bond cleavage. This provides high-value HDO products for utilization as feedstocks for chemicals and fuels; this also reduces the overall consumption of H2 . Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Carbon and hydrogen isotopic composition of methane and C2+ alkanes in electrical spark discharge: implications for identifying sources of hydrocarbons in terrestrial and extraterrestrial settings.

    Science.gov (United States)

    Telling, Jon; Lacrampe-Couloume, Georges; Sherwood Lollar, Barbara

    2013-05-01

    The low-molecular-weight alkanes--methane, ethane, propane, and butane--are found in a wide range of terrestrial and extraterrestrial settings. The development of robust criteria for distinguishing abiogenic from biogenic alkanes is essential for current investigations of Mars' atmosphere and for future exobiology missions to other planets and moons. Here, we show that alkanes synthesized during gas-phase radical recombination reactions in electrical discharge experiments have values of δ(2)H(methane)>δ(2)H(ethane)>δ(2)H(propane), similar to those of the carbon isotopes. The distribution of hydrogen isotopes in gas-phase radical reactions is likely due to kinetic fractionations either (i) from the preferential incorporation of (1)H into longer-chain alkanes due to the more rapid rate of collisions of the smaller (1)H-containing molecules or (ii) by secondary ion effects. Similar δ(13)C(C1-C2+) and δ(2)H(C1-C2+) patterns may be expected in a range of extraterrestrial environments where gas-phase radical reactions dominate, including interstellar space, the atmosphere and liquid hydrocarbon lakes of Saturn's moon Titan, and the outer atmospheres of Jupiter, Saturn, Neptune, and Uranus. Radical recombination reactions at high temperatures and pressures may provide an explanation for the combined reversed δ(13)C(C1-C2+) and δ(2)H(C1-C2+) patterns of terrestrial alkanes documented at a number of high-temperature/pressure crustal sites.

  5. Velocity Dependence of Friction of Confined Hydrocarbons

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, Vladimir N.; Persson, Bo N. J.

    2010-01-01

    We present molecular dynamics friction calculations for confined hydrocarbon “polymer” solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: (a) polymer sliding against a hard substrate and (b) polymer sliding on polymer. We discuss the velocity dependence of the f......We present molecular dynamics friction calculations for confined hydrocarbon “polymer” solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: (a) polymer sliding against a hard substrate and (b) polymer sliding on polymer. We discuss the velocity dependence...... of the frictional shear stress for both cases. In our simulations, the polymer films are very thin (∼3 nm), and the solid walls are connected to a thermostat at a short distance from the polymer slab. Under these circumstances we find that frictional heating effects are not important, and the effective temperature...... in the polymer film is always close to the thermostat temperature. In the first setup (a), for hydrocarbons with molecular lengths from 60 to 1400 carbon atoms, the shear stresses are nearly independent of molecular length, but for the shortest hydrocarbon C20H42 the frictional shear stress is lower. In all...

  6. Identification of C5+ extraband of butyrylcholinesterase and two protein bands cathodic to it

    OpenAIRE

    F. D. Suyatna; R. Setiabudy; O. Tjandra; E. Herwana

    2001-01-01

    Electrophoresis of human plasma yields 4 butyrylcholinesterase (BChE) protein bands, i.e. C1, C2, C3, C4 and in some individuals also an extraband C5+. In addition to that other protein bands called "S" bands are also invariably detected. In order to know whether the C5+ and the "S" bands are related to the BChE protein, we have carried out immunological and peptide mapping studies on these proteins. The immunology approach was done by raising polyclonal antibodies against each protein bands ...

  7. Laboratory observation of hot bands of H+3

    International Nuclear Information System (INIS)

    Bawendi, M.G.; Rehfuss, B.D.; Oka, T.

    1990-01-01

    The (2ν 2 ,l=2 left-arrow ν 2 ), (2ν 2 ,l=0 left-arrow ν 2 ), and (ν 1 +ν 2 left-arrow ν 1 ) hot bands of H + 3 were observed. The vibrationally hot ions were produced in a liquid nitrogen cooled 6 kHz ac discharge using gas mixtures of H 2 and He. The spectra were detected in direct absorption using a newly extended tunable difference frequency spectrometer using both LiNbO 3 and LiIO 3 crystals as nonlinear optical elements. The range of this spectrometer is now ∼5300--∼1900 cm -1 . The positions of the rovibrational transitions compare extremely well with the theoretical predictions of Miller and Tennyson. A vibrational temperature study of the discharge indicates a significant population inversion between the ν 1 and ν 2 levels

  8. Characteristics of polycyclic aromatic hydrocarbon (PAH) emissions from a UH-1H helicopter engine and its impact on the ambient environment

    Science.gov (United States)

    Chen, Yu-Cheng; Lee, Wen-Jhy; Uang, Shi-Nian; Lee, Su-Hsing; Tsai, Perng-Jy

    The objective of this study is to characterize the emissions of polycyclic aromatic hydrocarbons (PAHs) from a UH-1H helicopter turboshaft engine and its impact on the ambient environment. Five power settings of the ground idle (GI), fly idle (FI), beed band check (BBC), inlet guide vane (IGV), and take off (TO) were selected and samples were collected from the exhaust by using an isokinetic sampling system. Twenty-two PAH compounds were analyzed by gas chromatograph (GC)/MS. We found the mean total PAH concentration in the exhaust of the UH-1H engine (843 μg m -3) is 1.05-51.7 times in magnitude higher than those of the heavy-duty diesel (HDD) engine, motor vehicle engine, and F101 aircraft engine. Two- and three-ringed PAHs account for 97.5% of total PAH emissions from the UH-1H engine. The mean total PAH and total BaP eq emission factors for the UH-1H engine (63.4 and 0.309 mg L -1·fuel) is 1.65-23.4 and 1.30-7.54 times in magnitude higher than those for the motor vehicle engine, HDD engine, and F101 aircraft engine. The total emission level of the single PAH compound, BaP, for the UH-1H engine (EL BaP) during one landing and take off (LTO) cycle (2.19 mg LTO -1) was higher than the European Commission standard (1.24 mg LTO -1) suggesting that appropriate measures should be taken to reduce PAH emissions from UH-1H engines in the future.

  9. Methods for reformation of gaseous hydrocarbons using electrical discharge

    KAUST Repository

    Cha, Min Suk

    2017-02-16

    Methods for the reformation of gaseous hydrocarbons are provided. The methods can include forming a bubble containing the gaseous hydrocarbon in a liquid. The bubble can be generated to pass in a gap between a pair of electrodes, whereby an electrical discharge is generated in the bubble at the gap between the electrodes. The electrodes can be a metal or metal alloy with a high melting point so they can sustain high voltages of up to about 200 kilovolts. The gaseous hydrocarbon can be combined with an additive gas such as molecular oxygen or carbon dioxide. The reformation of the gaseous hydrocarbon can produce mixtures containing one or more of H2, CO, H2O, CO2, and a lower hydrocarbon such as ethane or ethylene. The reformation of the gaseous hydrocarbon can produce low amounts of CO2 and H2O, e.g. about 15 mol-% or less.

  10. Methods for reformation of gaseous hydrocarbons using electrical discharge

    KAUST Repository

    Cha, Min; Zhang, Xuming

    2017-01-01

    Methods for the reformation of gaseous hydrocarbons are provided. The methods can include forming a bubble containing the gaseous hydrocarbon in a liquid. The bubble can be generated to pass in a gap between a pair of electrodes, whereby an electrical discharge is generated in the bubble at the gap between the electrodes. The electrodes can be a metal or metal alloy with a high melting point so they can sustain high voltages of up to about 200 kilovolts. The gaseous hydrocarbon can be combined with an additive gas such as molecular oxygen or carbon dioxide. The reformation of the gaseous hydrocarbon can produce mixtures containing one or more of H2, CO, H2O, CO2, and a lower hydrocarbon such as ethane or ethylene. The reformation of the gaseous hydrocarbon can produce low amounts of CO2 and H2O, e.g. about 15 mol-% or less.

  11. ZnO epitaxy on SiC(0001-bar) substrate: Comparison with ZnO/SiC(0 0 0 1) heterostructure

    International Nuclear Information System (INIS)

    Ashrafi, Almamun; Aminuzzaman, Mohammod

    2011-01-01

    ZnO thin layers deposited on 6H-SiC substrates showed six-fold crystal symmetry with an epitaxial relationship of (0 0 0 2) ZnO ||(0 0 0 6) SiC and [112-bar 0] ZnO ||[112-bar 0] SiC . Despite the different 6H-SiC substrate surface orientations for the ZnO epitaxy, the orientation relationship of ZnO/6H-SiC heterostructures is identical, as confirmed by X-ray diffraction studies. In these ZnO/6H-SiC(0 0 0 1) and ZnO/6H-SiC(0001-bar) heterostructures, the valence band offsets are measured to be 1.12 eV and 1.09 eV, leading to the conduction band offset values of 0.75 eV and 0.72 eV, respectively. These slightly different band-offset values in ZnO/6H-SiC heterojunctions are attributed to the variation of valence band maximums and the different interface charge compensation mechanisms.

  12. Hydrocarbon Reserves: Abundance or Scarcity

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    of reserves and resources (H. Le Leuch); Additional reserves: the role of new technologies - A global perspective on EORIOR (G. Fries); - Updating reservoir models with dynamic data and uncertainty quantification: an integrated approach (F. Roggero); Seismic technology for the OAPEC countries (P. Canal); Exploration knowledge and technologies: impact of progress - Statistical results (N. Alazard); Stratigraphic modelling as a key to find new potentialities in exploration (D. Granjeon); Modelling hydrocarbon migration as a tool for reserve estimation (J-L. Rudkiewicz); The contribution of surface and near surface geology to hydrocarbon discoveries (S.M. Kumati); Contribution of the exploration activity in renewing reserves - The case of Algeria (R. Lounissi); Egypt's petroleum hydrocarbon potential (H. Hataba); Future of hydrocarbon reserves in Syria (T. Hemsh); Natural gas, the fuel of choice for decades to com (M.F. Chabrelie); The role and importance of Arab natural gas in world market (M. Al-Lababidi); LNG and GTL: two pathways for natural gas utilization (C. Cameron); Yet to find hydrocarbon potential (S. Al Menhali); Libyan context of hydrocarbon reserves: abundance or scarcity? (M. Elazi)

  13. Hydrocarbon Reserves: Abundance or Scarcity

    International Nuclear Information System (INIS)

    2005-01-01

    of reserves and resources (H. Le Leuch); Additional reserves: the role of new technologies - A global perspective on EORIOR (G. Fries); - Updating reservoir models with dynamic data and uncertainty quantification: an integrated approach (F. Roggero); Seismic technology for the OAPEC countries (P. Canal); Exploration knowledge and technologies: impact of progress - Statistical results (N. Alazard); Stratigraphic modelling as a key to find new potentialities in exploration (D. Granjeon); Modelling hydrocarbon migration as a tool for reserve estimation (J-L. Rudkiewicz); The contribution of surface and near surface geology to hydrocarbon discoveries (S.M. Kumati); Contribution of the exploration activity in renewing reserves - The case of Algeria (R. Lounissi); Egypt's petroleum hydrocarbon potential (H. Hataba); Future of hydrocarbon reserves in Syria (T. Hemsh); Natural gas, the fuel of choice for decades to com (M.F. Chabrelie); The role and importance of Arab natural gas in world market (M. Al-Lababidi); LNG and GTL: two pathways for natural gas utilization (C. Cameron); Yet to find hydrocarbon potential (S. Al Menhali); Libyan context of hydrocarbon reserves: abundance or scarcity? (M. Elazi)

  14. Photoelectric Properties of Si Doping Superlattice Structure on 6H-SiC(0001).

    Science.gov (United States)

    Li, Lianbi; Zang, Yuan; Hu, Jichao; Lin, Shenghuang; Chen, Zhiming

    2017-05-25

    The energy-band structure and visible photoelectric properties of a p/n-Si doping superlattice structure (DSL) on 6H-SiC were simulated by Silvaco-TCAD. The,n the Si-DSL structures with 40 nm-p-Si/50 nm-n-Si multilayers were successfully prepared on 6H-SiC(0001) Si-face by chemical vapor deposition. TEM characterizations of the p/n-Si DSL confirmed the epitaxial growth of the Si films with preferred orientation and the misfit dislocations with a Burgers vector of 1/3 at the p-Si/n-Si interface. The device had an obvious rectifying behavior, and the turn-on voltage was about 1.2 V. Under the visible illumination of 0.6 W/cm², the device demonstrated a significant photoelectric response with a photocurrent density of 2.1 mA/cm². Visible light operation of the Si-DSL/6H-SiC heterostructure was realized for the first time.

  15. Photoelectric Properties of Si Doping Superlattice Structure on 6H-SiC(0001

    Directory of Open Access Journals (Sweden)

    Lianbi Li

    2017-05-01

    Full Text Available The energy-band structure and visible photoelectric properties of a p/n-Si doping superlattice structure (DSL on 6H-SiC were simulated by Silvaco-TCAD. The,n the Si-DSL structures with 40 nm-p-Si/50 nm-n-Si multilayers were successfully prepared on 6H-SiC(0001 Si-face by chemical vapor deposition. TEM characterizations of the p/n-Si DSL confirmed the epitaxial growth of the Si films with preferred orientation and the misfit dislocations with a Burgers vector of 1/3 <21-1> at the p-Si/n-Si interface. The device had an obvious rectifying behavior, and the turn-on voltage was about 1.2 V. Under the visible illumination of 0.6 W/cm2, the device demonstrated a significant photoelectric response with a photocurrent density of 2.1 mA/cm2. Visible light operation of the Si-DSL/6H-SiC heterostructure was realized for the first time.

  16. Detection of irradiated meats by hydrocarbon method

    International Nuclear Information System (INIS)

    Goto, Michiko; Miyakawa, Hiroyuki; Fujinuma, Kenji; Ozawa, Hideki

    2005-01-01

    Meats, for example, lamb, razorback, wild duck and turkey were irradiated by gamma ray, and the amounts of hydrocarbons formed from fatty acids were measured. Since C 20:0 was found from wild duck and turkey. C 1-18:1 was recommended for internal standard. Good correlation was found between the amount of hydrocarbons and the doses of gamma irradiation. This study shows that such hydrocarbons induced after radiation procedure as C 1,7-16:2 , C 8-17:1 , C 1-14:1 , and C 15:0 may make it possible to detect irradiated lamb, razorback, wild duck and turkey. (author)

  17. H-tailored surface conductivity in narrow band gap In(AsN)

    Energy Technology Data Exchange (ETDEWEB)

    Velichko, A. V., E-mail: amalia.patane@nottingham.ac.uk, E-mail: anton.velychko@nottingham.ac.uk; Patanè, A., E-mail: amalia.patane@nottingham.ac.uk, E-mail: anton.velychko@nottingham.ac.uk; Makarovsky, O. [School of Physics and Astronomy, The University of Nottingham, Nottingham NG7 2RD (United Kingdom); Capizzi, M.; Polimeni, A. [Dipartimento di Fisica, Sapienza Università di Roma, Piazzale A. Moro 2, 00185 Roma (Italy); Sandall, I. C.; Tan, C. H. [Department of Electronic and Electrical Engineering, The University of Sheffield, Sheffield S1 3JD (United Kingdom); Giubertoni, D. [Center for Materials and Microsystems—Fondazione Bruno Kessler, via Sommarive 18, 38123 Povo, Trento (Italy); Krier, A.; Zhuang, Q. [Physics Department, Lancaster University, Lancaster LA1 4YB (United Kingdom)

    2015-01-12

    We show that the n-type conductivity of the narrow band gap In(AsN) alloy can be increased within a thin (∼100 nm) channel below the surface by the controlled incorporation of H-atoms. This channel has a large electron sheet density of ∼10{sup 18 }m{sup −2} and a high electron mobility (μ > 0.1 m{sup 2}V{sup −1}s{sup −1} at low and room temperature). For a fixed dose of impinging H-atoms, its width decreases with the increase in concentration of N-atoms that act as H-traps thus forming N-H donor complexes near the surface.

  18. Sharp separation of C2/C3 hydrocarbon mixtures by zeolitic imidazolate framework-8 (ZIF-8) membranes synthesized in aqueous solutions

    KAUST Repository

    Pan, Yichang

    2011-01-01

    Exceptional high quality ZIF-8 membranes prepared through a novel seeded growth method in aqueous solutions at near room temperature exhibit excellent separation performance for C2/C3 hydrocarbon mixtures. The separation factors for mixtures of ethane/propane, ethylene/propylene and ethylene/propane are ∼80, ∼10 and ∼167, respectively. © 2011 The Royal Society of Chemistry.

  19. Light Hydrocarbons Adsorption Mechanisms in Two Calcium-based Microporous Metal Organic Frameworks

    KAUST Repository

    Plonka, Anna M.

    2016-01-25

    The adsorption mechanism of ethane, ethylene and acetylene (C2Hn; n=2, 4, 6) on two microporous metal organic frameworks (MOFs) is described here that is consistent with observations from single crystal and powder X-ray diffraction, calorimetric measurments and gas adsorption isotherm measurements. Two calcium-based MOFs, designated as SBMOF-1 and SBMOF-2 (SB: Stony Brook), form three-dimensional frameworks with one-dimensional open channels. As determined form single crystal diffraction experiments channel geometries of both SBMOF-1 and SBMOF-2 provide multiple adsorption sites for hydrocarbon molecules trough C-H…π and C-H…O interactions, similarly to interactions in the molecular and protein crystals. Both materials selectively adsorb C2 hydrocarbon gases over methane as determined with IAST and breakthrough calculations, with C2H6/CH4 selectivity as high as 74 in SBMOF-1.

  20. Electrooxidative Rhodium-Catalyzed C-H/C-H Activation: Electricity as Oxidant for Cross-Dehydrogenative Alkenylation.

    Science.gov (United States)

    Qiu, Youai; Kong, Wei-Jun; Struwe, Julia; Sauermann, Nicolas; Rogge, Torben; Scheremetjew, Alexej; Ackermann, Lutz

    2018-04-06

    Rhodium(III) catalysis has enabled a plethora of oxidative C-H functionalizations, which predominantly employ stoichiometric amounts of toxic and/or expensive metal oxidants. In contrast, we describe the first electrochemical C-H activation by rhodium catalysis that avoids hazardous chemical oxidants. Thus, environmentally-benign twofold C-H/C-H functionalizations were accomplished with weakly-coordinating benzoic acids and benzamides, employing electricity as the terminal oxidant with H2 as the sole byproduct. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. C/X-band SAR interferometry applied to ground monitoring: examples and new potential

    Science.gov (United States)

    Nutricato, Raffaele; Nitti, Davide O.; Bovenga, Fabio; Refice, Alberto; Wasowski, Janusz; Chiaradia, Maria T.

    2013-10-01

    Classical applications of the MTInSAR techniques have been carried out in the past on medium resolution data acquired by the ERS, Envisat (ENV) and Radarsat sensors. The new generation of high-resolution X-Band SAR sensors, such as TerraSAR-X (TSX) and the COSMO-SkyMed (CSK) constellation allows acquiring data with spatial resolution reaching metric/submetric values. Thanks to the finer spatial resolution with respect to C-band data, X-band InSAR applications result very promising for monitoring single man-made structures (buildings, bridges, railways and highways), as well as landslides. This is particularly relevant where C-band data show low density of coherent scatterers. Moreover, thanks again to the higher resolution, it is possible to infer reliable estimates of the displacement rates with a number of SAR scenes significantly lower than in C-band within the same time span or by using more images acquired in a narrower time span. We present examples of the application of a Persistent Scatterers Interferometry technique, namely the SPINUA algorithm, to data acquired by ENV, TSX and CSK on selected number of sites. Different cases are considered concerning monitoring of both instable slopes and infrastructure. Results are compared and commented with particular attention paid to the advantages provided by the new generation of X-band high resolution space-borne SAR sensors.

  2. Hydrogen addition reactions of aliphatic hydrocarbons in comets

    Science.gov (United States)

    Kobayashi, Hitomi; Watanabe, N.; Watanabe, Y.; Fukushima, T.; Kawakita, H.

    2013-10-01

    Comets are thought as remnants of early solar nebula. Their chemical compositions are precious clue to chemical and physical evolution of the proto-planetary disk. Some hydrocarbons such as C2H6, C2H2 and CH4 in comets have been observed by using near-infrared spectroscopy. Although the compositions of C2H6 were about 1% relative to the water in normal comets, there are few reports on the detection of C2H6 in ISM. Some formation mechanisms of C2H6 in ISM have been proposed, and there are two leading hypotheses; one is the dimerizations of CH3 and another is the hydrogen addition reactions of C2H2 on cold icy grains. To evaluate these formation mechanisms for cometary C2H6 quantitatively, it is important to search the C2H4 in comets, which is the intermediate product of the hydrogen addition reactions toward C2H6. However, it is very difficult to detect the C2H4 in comets in NIR (3 microns) regions because of observing circumstances. The hydrogen addition reactions of C2H2 at low temperature conditions are not well characterized both theoretically and experimentally. For example, there are no reports on the reaction rate coefficients of those reaction system. To determine the production rates of those hydrogen addition reactions, we performed the laboratory experiments of the hydrogenation of C2H2 and C2H4. We used four types of the initial composition of the ices: pure C2H4, pure C2H2, C2H2 on amorphous solid water (ASW) and C2H4 on ASW at three different temperatures of 10, 20, and 30K. We found 1) reactions are more efficient when there are ASW in the initial compositions of the ice; 2) hydrogenation of C2H4 occur more rapid than that of C2H2.

  3. Absorption spectra of H2-H2 pairs in the fundamental band

    International Nuclear Information System (INIS)

    Meyer, W.; Borysow, A.; Frommhold, L.

    1989-01-01

    For the computation of the induced-dipole moment, the collisional complex consisting of two H 2 molecules is treated like one molecule in the self-consistent-field and size-consistent, coupled electron pair approximations that separates correctly at distant range. The basis set accounts for 95% of the correlation energies. The radial transition matrix elements of the induced-dipole components are obtained for the two cases v 1 =v 2 =0 and v 1 =0,v 2 =1, where the v i are the vibrational quantum numbers of the interacting H 2 molecules (i=1 or 2). The dependence of these elements on the most important rotational states (j 1 , j 1 ',j 2 ,j 2 '=0,...,3) involved is obtained and seen to be significant in the fundamental band. The results are recast in a simple, but accurate analytical form that is used in a quantum formalism for computations of the spectral moments (sum rules) and line shapes of the collision-induced absorption spectra of molecular hydrogen pairs in the infrared 2.4-μm band. The calculations are based on a proven isotropic potential model that we have extended to account for effects of vibrational excitations. Numerical consistency of the line-shape calculations with the sum rules is observed at the 1% level. The comparison of the computational results with the available measurements at temperatures from 20 to 300 K shows agreement within the estimated uncertainties of the best measurements (∼10%). This fact suggests that theory is capable of predicting these spectra reliably at temperatures for which no measurements exist, with an accuracy that compares favorably with that of good laboratory measurements

  4. H-shaped oligothiophenes with low band gaps and amphoteric redox properties

    KAUST Repository

    Luo, Jing

    2010-12-17

    H-shaped bridged oligothiophenes HT-1 and HT-2 were synthesized by two different approaches. Different from normal oligothiophenes, HT-1 and HT-2 showed low band gaps and amphoteric redox behaviors due to intramolecular charge transfer, which is further supported by time-dependent DFT calculations. © 2010 American Chemical Society.

  5. Fourier spectroscopy of the 12C2, 13C2, and 12C13C (0-0) swan bands

    International Nuclear Information System (INIS)

    Amiot, C.

    1983-01-01

    The (0-0) band of the C 2 Swan electronic system d 3 Pi/sub g/→a 3 Pi/sub u/ has been recorded by Fourier spectroscopy. The three isotopes species 12 C 2 , 13 C 2 , and 12 C 13 C were investigated. The observed wavenumbers were reduced to molecular parameters using a nonlinear least-square fitting procedure. Well-known perturbations at N' = 47 and N' = 51 again observed in the e 12 C 2 d 3 Pi/sub g/ (v = 0) level. Perturbations of the same kind are present in the 13 C 2 spectrum at N' = 34 and N' = 44,48,52. The 12 C 13 C spectrum exhibits in the observed spectral range a unique perturbation for N' = 41

  6. Enhancement of Spontaneous Erbium Emission near the Photonic Band Edge of Distributed Bragg Reflectors Based on a-Si:H/a-SiOx:H

    International Nuclear Information System (INIS)

    Medvedev, A.V.; Feoktistov, N.A.; Pevtsov, A.B.; Golubev, V.G.

    2005-01-01

    Results obtained in an experimental study of spontaneous emission from erbium ions in a spectral range corresponding to the lower photonic band edge of distributed Bragg reflectors (1D photonic crystals) are presented. The photonic crystals were constituted of alternating quarter-wave a-Si:H and a-SiO x :H layers grown by PECVD. Erbium was introduced into the a-Si:H layers by magnetron sputtering of an erbium target in the course of structure growth. The change observed in the intensity of spontaneous emission is due to the nonmonotonic behavior of the density of optical modes near the photonic band edge

  7. Contribution of deep sourced carbon from hydrocarbon seeps to sedimentary organic carbon: Evidence from Δ14C and δ13C isotopes

    Science.gov (United States)

    Feng, D.; Peckmann, J.; Peng, Y.; Liang, Q.; Roberts, H. H.; Chen, D.

    2017-12-01

    Sulfate-driven anaerobic oxidation of methane (AOM) limits the release of methane from marine sediments and promotes the formation of carbonates close to the seafloor along continental margins. It has been established that hydrocarbon seeps are a source of dissolved inorganic and organic carbon to marine environments. However, questions remain about the contribution of deep sourced carbon from hydrocarbon seeps to the sedimentary organic carbon pool. For a number of hydrocarbon seeps from the South China Sea and the Gulf of Mexico, the portion of modern carbon was determined based on natural radiocarbon abundances (Δ14C) and stable carbon isotope (δ13Corganic carbon) compositions of the non-carbonate fractions extracted from authigenic carbonates. Samples from both areas show a mixing trend between ideal planktonic organic carbon (δ13C = -22‰ VPDB and 90% modern carbon) and the ambient methane. The δ13Corganic carbon values of non-carbonate fractions from three ancient seep deposits (northern Italy, Miocene; western Washington State, USA, Eocene to Oligocene) confirm that the proxy can be used to constrain the record of sulfate-driven AOM through most of Earth history by measuring the δ13C values of organic carbon. This study reveals the potential of using δ13C values of organic carbon to discern seep and non-seep environments. This new approach is particularly promising when authigenic carbonate is not present in ancient sedimentary environments. Acknowledgments: The authors thank BOEM and NOAA for their years' support of the deep-sea dives. Funding was provided by the NSF of China (Grants: 41422602 and 41373085).

  8. Charge transfer processes in collisions of H+ ions with H2, D2, CO, CO2 CH4, C2H2, C2H6 and C3H8 molecules below 10 keV

    International Nuclear Information System (INIS)

    Kusakabe, T.; Buenker, R.J.; Kimura, M.

    2002-01-01

    Charge transfer processes resulting from collisions of H + ions with H 2 , D 2 , CO, CO 2 CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 molecules have been investigated in the energy range of 0.2 to 4.0 keV experimentally and theoretically. The initial growth rate method was employed in the experiment for studying the dynamics and cross sections. Theoretical analysis based on a molecular-orbital expansion method for H 2 , D 2 , CO, CH 4 and C 2 H 2 targets was also carried out. The present results for the H 2 , CO and CO 2 molecules by H + impact are found to be in excellent accord with most of previous measurements above 1 keV, but they show some differences below this energy where our result displays a stronger energy-dependence. For CH 4 , C 2 H 2 , C 2 H 6 and C 3 H 8 targets, both experimental and theoretical results indicate that if one assumes vibrationally excited molecular ions (CH 4 + , C 2 H 2 + , C 2 H 6 + and C 3 H 8 + ) formed in the exit channel, then charge transfer processes sometimes become more favorable since these vibrationally excited fragments meet an accidental resonant condition. This is a clear indication of the role of vibrational excited states for charge transfer, and is an important realization for general understanding. (author)

  9. Quantification of the selective activation of C--H bonds in short chain alkanes: The reactivity of ethane, propane, isobutane, n-butane, and neopentane on Ir(111)

    International Nuclear Information System (INIS)

    Johnson, D.F.; Weinberg, W.H.

    1995-01-01

    The initial probabilities of precursor-mediated, dissociative chemisorption of the saturated hydrocarbons 13 C-labeled ethane, propane, isobutane, n-butane, and neopentane on the close-packed Ir(111) surface have been measured. The selective activation of primary (1 degree), secondary (2 degree), and tertiary (3 degree) C--H bonds has been quantified by examining the reactivities of the selectively deuterated isotopomers of propane, C 3 H 8 , CH 3 CD 2 CH 3 , and C 3 D 8 , and of isobutane, (CH 3 ) 3 CH, (CH 3 ) 3 CD, and (CD 3 ) 3 CH. With respect to the bottom of the physically adsorbed well for each hydrocarbon, the apparent C--H bond activation energies have been found to be 10.4±0.3 kcal/mol (ethane), 11.4±0.3 kcal/mol (propane), 11.5±0.3 kcal/mol (n-butane), 11.3±0.3 kcal/mol (i-butane), and 11.3±0.3 kcal/mol (neopentane). For all the alkanes examined, the ratios of the preexponential factors of the rate coefficients of reaction and desorption are 1x10 -2 . The C--D bond activation energies are higher than the corresponding C--H bond activation energies by 480 cal/mol (ethane), 630 cal/mol (propane), and 660 cal/mol (i-butane). By analyzing the primary kinetic isotope effects for the selectively deuterated isotopomers of propane and isobutane, the 2 degree C--H bond activation energy is found to be 310±160 cal/mol less than the 1 degree C--H bond activation energy on this surface, and similarly, 3 degree C--H bond cleavage is less by 80±70 cal/mol. The quantification of the branching ratios within the C--H bond activation channel for propane and isobutane on this surface shows that the formation of 1 degree-alkyl intermediates is, in general, favored over the formation of either 2 degree- or 3 degree-alkyl intermediates. (Abstract Truncated)

  10. PROTONATED POLYCYCLIC AROMATIC HYDROCARBONS REVISITED

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr; Allamandola, Louis J.

    2011-01-01

    We reconsider the contribution that singly protonated polycyclic aromatic hydrocarbons (PAHs; HPAH + s) might make to the Class A component of the 6.2 μm interstellar emission feature in light of the recent experimental measurements of protonated naphthalene and coronene. Our calculations on the small HPAH + s have a band near 6.2 μm, as found in experiment. While the larger HPAH + s still have emission near 6.2 μm, the much larger intensity of the band near 6.3 μm overwhelms the weaker band at 6.2 μm, so that the 6.2 μm band is barely visible. Since the large PAHs are more representative of those in the interstellar medium, our work suggests that large HPAH + s cannot be major contributors to the observed emission at 6.2 μm (i.e., Class A species). Saturating large PAH cations with hydrogen atoms retains the 6.2 μm Class A band position, but the rest of the spectrum is inconsistent with observed spectra.

  11. Status of the C-band RF System for the SPARC-LAB high brightness photo-injector

    CERN Document Server

    Boni, R.; Bellaveglia, M.; Di Pirro, G.; Ferrario, M.; Gallo, A.; Spataro, B.; Mostacci, A.; Palumbo, L.

    2013-01-01

    The high brightness photo-injector in operation at the SPARC-LAB facility of the INFN-LNF, Italy, consists of a 150 MeV S-band electron accelerator aiming to explore the physics of low emittance high peak current electron beams and the related technology. Velocity bunching techniques, SASE and Seeded FEL experiments have been carried out successfully. To increase the beam energy so improving the performances of the experiments, it was decided to replace one S-band travelling wave accelerating cavity, with two C-band cavities that allow to reach higher energy gain per meter. The new C-band system is in advanced development phase and will be in operation early in 2013. The main technical issues of the C-band system and the R&D activities carried out till now are illustrated in detail in this paper.

  12. Impact of bacterial and fungal processes on {sup 14}C-hexadecane mineralisation in weathered hydrocarbon contaminated soil

    Energy Technology Data Exchange (ETDEWEB)

    Adetutu, Eric M.; Ball, Andy S. [School of Biological Sciences, Flinders University, Adelaide, South Australia, 5001 (Australia); Weber, John; Aleer, Samuel; Dandie, Catherine E. [Centre for Environmental Risk Assessment and Remediation (CERAR), University of South Australia, Mawson Lakes Campus, Adelaide, South Australia, 5095 (Australia); Cooperative Research Centre for Contamination Assessment and Remediation of the Environment (CRC CARE), Mawson Lakes, Adelaide, South Australia, 5095 (Australia); Juhasz, Albert L., E-mail: Albert.Juhasz@unisa.edu.au [Centre for Environmental Risk Assessment and Remediation (CERAR), University of South Australia, Mawson Lakes Campus, Adelaide, South Australia, 5095 (Australia); Cooperative Research Centre for Contamination Assessment and Remediation of the Environment (CRC CARE), Mawson Lakes, Adelaide, South Australia, 5095 (Australia)

    2012-01-01

    In this study, the impact of bacterial and fungal processes on {sup 14}C-hexadecane mineralisation was investigated in weathered hydrocarbon contaminated soil. The extent of {sup 14}C-hexadecane mineralisation varied depending on the bioremediation strategy employed. Under enhanced natural attenuation conditions, {sup 14}C-hexadecane mineralisation after 98 days was 8.5 {+-} 3.7% compared to < 1.2% without nitrogen and phosphorus additions. {sup 14}C-hexadecane mineralisation was further enhanced through Tween 80 amendments (28.9 {+-} 2.4%) which also promoted the growth of a Phanerochaete chyrsosporium fungal mat. Although fungal growth in weathered hydrocarbon contaminated soil could be promoted through supplementing additional carbon sources (Tween 80, sawdust, compost, pea straw), fungal {sup 14}C-hexadecane mineralisation was negligible when sodium azide was added to soil microcosms to inhibit bacterial activity. In contrast, when fungal activity was inhibited through nystatin additions, {sup 14}C-hexadecane mineralisation ranged from 6.5 {+-} 0.2 to 35.8 {+-} 3.8% after 98 days depending on the supplied amendment. Bacteria inhibition with sodium azide resulted in a reduction in bacterial diversity (33-37%) compared to microcosms supplemented with nystatin or microcosms without inhibitory supplements. However, alkB bacterial groups were undetected in sodium azide supplemented microcosms, highlighting the important role of this bacterial group in {sup 14}C-hexadecane mineralisation. - Highlights: Black-Right-Pointing-Pointer The roles of different microbial groups in hydrocarbon mineralisation was assessed. Black-Right-Pointing-Pointer Inhibiting fungal growth did not affect {sup 14}C-hexadecane mineralisation. Black-Right-Pointing-Pointer Inhibiting bacterial growth resulted in negligible {sup 14}C-hexadecane mineralisation. Black-Right-Pointing-Pointer alkB bacterial groups were undetected in sodium azide supplemented microcosms. Black

  13. Measurements of mass-fraction activity coefficient at infinite dilution of aliphatic and aromatic hydrocarbons, thiophene, alcohols, water, ethers, and ketones in hyperbranched polymer, Boltorn H2004, using inverse gas chromatography

    International Nuclear Information System (INIS)

    Domanska, Urszula; Zolek-Tryznowska, Zuzanna

    2010-01-01

    Thermodynamic properties of the hyperbranched polymer, Boltorn H2004 (B-H2004), were investigated by inverse gas chromatography with 42 different solvents: n-alkanes (C 5 -C 10 ), cycloalkanes (C 5 -C 8 ), alkenes (C 5 -C 8 ), alkynes (C 5 -C 8 ), aromatic hydrocarbons (benzene, toluene, ethylbenzene, o-, m-, p-xylene, thiophene), alcohols (C 1 -C 5 ), water, ethers (tetrahydrofuran (THF), methyl-tert-butylether (MTBE), diethyl-, di-n-propyl-, di-n-butyl ether), and ketones (acetone, 2-pentanone, 3-pentanone, 2-hexanone, 3-hexanone, cyclopentanone) at the temperatures from (308.15 to 348.15) K using the inverse gas chromatography (IGC). The density and thermophysical properties of polymer were described. The specific retention volume (V g ), the mass-fraction activity coefficient at infinite dilution (Ω 13 ∞ ), the Flory-Huggins interaction parameter (χ 13 ∞ ), the molar enthalpy of sorption in the polymer (Δ s H), the partial molar excess enthalpy at infinite dilution (ΔH 1 E,∞ ), the molar enthalpy of vaporization to the ideal-gas state for the pure solutes (Δ vap H 0 ), the partial molar Gibbs excess energy at infinite dilution (ΔG 1 E,∞ ), and the solubility parameter of the polymer (δ 3 ), were calculated. The UNIFAC-FV model was used to predict the mass-fraction activity coefficient at infinite dilution for different solutes in the B-H2004 polymer.

  14. Tunable band gap and optical properties of surface functionalized Sc2C monolayer

    International Nuclear Information System (INIS)

    Wang Shun; Du Yu-Lei; Liao Wen-He

    2017-01-01

    Using the density functional theory, we have investigated the electronic and optical properties of two-dimensional Sc 2 C monolayer with OH, F, or O chemical groups. The electronic structures reveal that the functionalized Sc 2 C monolayers are semiconductors with a band gap of 0.44–1.55 eV. The band gap dependent optical parameters, like dielectric function, absorption coefficients, reflectivity, loss function, and refraction index were also calculated for photon energy up to 20 eV. At the low-energy region, each optical parameter shifts to red, and the peak increases obviously with the increase of the energy gap. Consequently, Sc 2 C monolayer with a tunable band gap by changing the type of surface chemical groups is a promising 2D material for optoelectronic devices. (paper)

  15. Analytical method validation of GC-FID for the simultaneous measurement of hydrocarbons (C2-C4) in their gas mixture

    OpenAIRE

    Oman Zuas; Harry budiman; Muhammad Rizky Mulyana

    2016-01-01

    An accurate gas chromatography coupled to a flame ionization detector (GC-FID) method was validated for the simultaneous analysis of light hydrocarbons (C2-C4) in their gas mixture. The validation parameters were evaluated based on the ISO/IEC 17025 definition including method selectivity, repeatability, accuracy, linearity, limit of detection (LOD), limit of quantitation (LOQ), and ruggedness. Under the optimum analytical conditions, the analysis of gas mixture revealed that each target comp...

  16. ZnO epitaxy on SiC(0001-bar) substrate: Comparison with ZnO/SiC(0 0 0 1) heterostructure

    Energy Technology Data Exchange (ETDEWEB)

    Ashrafi, Almamun, E-mail: ash2phy@gmail.com [Department of Physics, University of Vermont, VT 05405 (United States); Aminuzzaman, Mohammod [Department of Chemical Science, Universiti Tunku Abdul Rahman, Perak (Malaysia)

    2011-05-01

    ZnO thin layers deposited on 6H-SiC substrates showed six-fold crystal symmetry with an epitaxial relationship of (0 0 0 2){sub ZnO}||(0 0 0 6){sub SiC} and [112-bar 0]{sub ZnO}||[112-bar 0]{sub SiC}. Despite the different 6H-SiC substrate surface orientations for the ZnO epitaxy, the orientation relationship of ZnO/6H-SiC heterostructures is identical, as confirmed by X-ray diffraction studies. In these ZnO/6H-SiC(0 0 0 1) and ZnO/6H-SiC(0001-bar) heterostructures, the valence band offsets are measured to be 1.12 eV and 1.09 eV, leading to the conduction band offset values of 0.75 eV and 0.72 eV, respectively. These slightly different band-offset values in ZnO/6H-SiC heterojunctions are attributed to the variation of valence band maximums and the different interface charge compensation mechanisms.

  17. He+ irradiation temperature influence on the structure and nanohardness of hydrocarbon films

    International Nuclear Information System (INIS)

    Fan, Hongyu; Yang, Deming; Sun, Li; Yang, Qi; Niu, Jinhai; Guo, Liping; Chen, Jihong; Bi, Zhenhua; Liu, Dongping

    2013-01-01

    Polymer-like hydrocarbon films were irradiated with 100 keV He + or annealed at sample temperatures varying from 25 to 600 °C. The effects of sample temperature on the structure and nanohardness of hydrocarbon films are investigated by atomic force microscopy (AFM), AFM-based nanoindentation, Fourier transform infrared spectroscopy, and Raman spectroscopy. Analysis shows that annealing results in the decrease in the nanohardness of hydrocarbon films from 4.0 GPa to 0.55 GPa while He + irradiation at an elevated sample temperature results in the formation of dense diamond-like carbon films with nanohardness up to 20.0 GPa. This indicates that polymer-like hydrocarbon films can be transformed into the hard diamond-like carbon films with a relatively low H content on vacuum vessels of fusion devices due to the energetic bombardments at an elevated wall temperature

  18. The singlet-triplet energy gap in divalent three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn AND Pb

    Directory of Open Access Journals (Sweden)

    E. Vessally

    2009-08-01

    Full Text Available Total energy gaps, ∆Et–s, enthalpy gaps, ∆Ht–s, and Gibbs free energy gaps, ∆Gt–s, between singlet (s and triplet (t states were calculated for three, five and seven-membered cyclic C2H2M, C4H4M and C6H6M (M = C, Si, Ge, Sn and Pb at B3LYP/6-311++G**. The singlet-triplet free energy gaps, ∆Gt–s, for C2H2M (M = C, Si, Ge, Sn and Pb are found to be increased in the order: C2H2Si > C2H2C > C2H2Ge > C2H2Sn > C2H2Pb. The ∆Gt–s of C4H4M are found to be increased in the order: C4H4Pb > C4H4Sn > C4H4Ge > C4H4Si > C4H4C. Also, the ∆Gt–s of C6H6M are determined in the order: C6H6Pb > C6H6Ge ≥ C6H6Sn > C6H6Si > C6H6C. The most stable conformers of C2H2M, C4H4M and C6H6M are proposed for both the singlet and triplet states. Nuclear independent chemical shifts (NICS calculations were carried out for determination of aromatic character. The geometrical parameters are calculated and discussed.

  19. Alkali/TX[sub 2] catalysts for CO/H[sub 2] conversion to C[sub 1]-C[sub 4] alcohols

    Energy Technology Data Exchange (ETDEWEB)

    Klier, K.; Herman, R.G.; Bastian, R.D.; Flanagan, K.L.

    1989-01-01

    Ruthenium disulfide catalysts have been synthesized, tested, and characterized during this period of research. It was observed that both the undoped and Cs-doped RuS[sub 2] catalysts produced alcohols and lower amounts of hydrocarbons from H[sub 2]/CO = 1.0 synthesis gas at temperatures above 300[degree]C. Calcination and catalytic testing resulted in partial reduction of the RuS[sub 2] to Ru[sup o]. Calcination under H[sub 2]S prevented the partial reduction of the RuS[sub 2] catalyst, but subsequent catalytic testing again resulted in the formation of a quantity of Ru[sup o]. A Cs-doped RuS[sub 2] catalyst was prepared, but it might have had too high of a loading of Cs. Upon testing, a lower activity was observed for the doped catalyst compared with the undoped catalyst, but the alcohol selectivity was the same for the two catalysts.

  20. A study of light hydrocarbons (C{sub 4}-C{sub 1}3) in source rocks and petroleum fluid

    Energy Technology Data Exchange (ETDEWEB)

    Odden, Wenche

    2000-07-01

    This thesis consists of an introduction and five included papers. Of these, four papers are published in international journals and the fifth was submitted for review in April 2000. Emphasis has been placed on both naturally and artificially generated light hydrocarbons in petroleum fluids and their proposed source rocks as well as direct application of light hydrocarbons to oil/source rock correlations. Collectively, these papers describe a strategy for interpreting the source of the light hydrocarbons in original oils and condensates as well as the source of the asphaltene fractions from the reservoir fluids. The influence of maturity on light hydrocarbon composition has also been evaluated. The papers include (1) compositional data on the light hydrocarbons from thermal extracts and kerogen pyrolysates of sediment samples, (2) light hydrocarbon data of oils and condensates as well as the pyrolysis products of the asphaltenes from these fluids, (3) assessment of compositional alteration effects, such as selective losses of light hydrocarbons due to evaporation, thermal maturity, phase fractionation and biodegradation, (4) comparison of naturally and artificially generated light hydrocarbons, and (5) compound-specific carbon isotope analysis of the whole range of hydrocarbons of all sample types. (author)

  1. OPTIMASI KONSENTRASI INOKULUM, RASIO C:N:P DAN pH PADA PROSES BIOREMEDIASI LIMBAH PENGILANGAN MINYAK BUMI MENGGUNAKAN KULTUR CAMPURAN

    Directory of Open Access Journals (Sweden)

    Syukria Ikhsan Zam

    2010-03-01

    Full Text Available The purposes of this research were to obtain the best inoculum concentration, C:N:P ratio, and pH, and also to identify the ability of mixed culture of hydrocarbonoclastic bacteria in oil waste degradation. The isolats were used are Acinetobacter baumanni, Alcaligenes eutrophus, Bacillus sp1., Methylococcus capsulatus, Bacillus sp2., Morococcus sp., Pseudomonas diminuta, Xanthomonas albilineans, Bacillus cereus and Flavobacterium branchiophiia. Variation of inoculum concentrations were 10%, 15%, and 20% (v/v, C:N:P ratios were 100:10:1, 100:10:0,5, 100:5:1, and 100:5:0,5, and pH were 6,5, 7,0, 7,5. Observed parameters in optimization were Total Plate Count (TPC the culture every 24 hours, Total Petroleum Hydrocarbon (TPH and Chemical Oxygen Demand (COD examined at the end of the bioremediation period. Best optimization result then analyzed with GC/MS. Optimization result indicated the best inoculum concentration was 10% with TPH degradation 61,79% and COD slope 61,75%. It is assumed that the low value of TPH degradation and COD slope at 15% and 20% inoculum concentration were caused by competition inside the bacterial population at that high inoculum concentration. The competition result in low growth and degradation. C:N:P ratio was 100:5:1 with TPH degradation 66,55% and COD slope 85,18%. It is assumed that the C:N:P ratio is equal, so it can enhance the bioremediation procces. The best pH was 7,5 with TPH degradation 73,24% and COD slope 86,28%. The process at the optimum conditions using inoculum as a mixed culture enhanced the bioremediation process with the result as follows, TPH degradation 93,06%, COD 90,73% for treatment. The chromatogram indicated that total hydrocarbon compound from nC9 – nC32 have been degraded by 43,413% – 63,117%. A good result of bioremediation was obtained from mixed culture inoculum at 10% concentration, C:N:P ratio of 100:5:1, and pH 7,5.

  2. Hyperfine-resolved transition frequency list of fundamental vibration bands of H35Cl and H37Cl

    Science.gov (United States)

    Iwakuni, Kana; Sera, Hideyuki; Abe, Masashi; Sasada, Hiroyuki

    2014-12-01

    Sub-Doppler resolution spectroscopy of the fundamental vibration bands of H35Cl and H37Cl has been carried out from 87.1 to 89.9 THz. We have determined the absolute transition frequencies of the hyperfine-resolved R(0) to R(4) transitions with a typical uncertainty of 10 kHz. We have also yielded six molecular constants for each isotopomer in the vibrational excited state, which reproduce the determined frequencies with a standard deviation of about 10 kHz.

  3. Assessing impediments to hydrocarbon biodegradation in weathered contaminated soils.

    Science.gov (United States)

    Adetutu, Eric; Weber, John; Aleer, Sam; Dandie, Catherine E; Aburto-Medina, Arturo; Ball, Andrew S; Juhasz, Albert L

    2013-10-15

    In this study, impediments to hydrocarbon biodegradation in contaminated soils were assessed using chemical and molecular methodologies. Two long-term hydrocarbon contaminated soils were utilised which were similar in physico-chemical properties but differed in the extent of hydrocarbon (C10-C40) contamination (S1: 16.5 g kg(-1); S2: 68.9 g kg(-1)). Under enhanced natural attenuation (ENA) conditions, hydrocarbon biodegradation was observed in S1 microcosms (26.4% reduction in C10-C40 hydrocarbons), however, ENA was unable to stimulate degradation in S2. Although eubacterial communities (PCR-DGGE analysis) were similar for both soils, the alkB bacterial community was less diverse in S2 presumably due to impacts associated with elevated hydrocarbons. When hydrocarbon bioaccessibility was assessed using HP-β-CD extraction, large residual concentrations remained in the soil following the extraction procedure. However, when linear regression models were used to predict the endpoints of hydrocarbon degradation, there was no significant difference (P>0.05) between HP-β-CD predicted and microcosm measured biodegradation endpoints. This data suggested that the lack of hydrocarbon degradation in S2 resulted primarily from limited hydrocarbon bioavailability. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. THE FIRST H-BAND SPECTRUM OF THE GIANT PLANET β PICTORIS b

    International Nuclear Information System (INIS)

    Chilcote, Jeffrey; Fitzgerald, Michael P.; Larkin, James E.; Barman, Travis; Graham, James R.; Kalas, Paul; Macintosh, Bruce; Ingraham, Patrick; Bauman, Brian; Burrows, Adam S.; Cardwell, Andrew; Hartung, Markus; Hibon, Pascale; De Rosa, Robert J.; Dillon, Daren; Gavel, Donald; Doyon, René; Dunn, Jennifer; Erikson, Darren; Goodsell, Stephen J.

    2015-01-01

    Using the recently installed Gemini Planet Imager (GPI), we have obtained the first H-band spectrum of the planetary companion to the nearby young star β Pictoris. GPI is designed to image and provide low-resolution spectra of Jupiter-sized, self-luminous planetary companions around young nearby stars. These observations were taken covering the H band (1.65 μm). The spectrum has a resolving power of ∼45 and demonstrates the distinctive triangular shape of a cool substellar object with low surface gravity. Using atmospheric models, we find an effective temperature of 1600-1700 K and a surface gravity of log (g) = 3.5-4.5 (cgs units). These values agree well with ''hot-start'' predictions from planetary evolution models for a gas giant with mass between 10 and 12 M Jup and age between 10 and 20 Myr

  5. Substrate-Mediated C-C and C-H Coupling after Dehalogenation.

    Science.gov (United States)

    Kong, Huihui; Yang, Sha; Gao, Hongying; Timmer, Alexander; Hill, Jonathan P; Díaz Arado, Oscar; Mönig, Harry; Huang, Xinyan; Tang, Qin; Ji, Qingmin; Liu, Wei; Fuchs, Harald

    2017-03-15

    Intermolecular C-C coupling after cleavage of C-X (mostly, X = Br or I) bonds has been extensively studied for facilitating the synthesis of polymeric nanostructures. However, the accidental appearance of C-H coupling at the terminal carbon atoms would limit the successive extension of covalent polymers. To our knowledge, the selective C-H coupling after dehalogenation has not so far been reported, which may illuminate another interesting field of chemical synthesis on surfaces besides in situ fabrication of polymers, i.e., synthesis of novel organic molecules. By combining STM imaging, XPS analysis, and DFT calculations, we have achieved predominant C-C coupling on Au(111) and more interestingly selective C-H coupling on Ag(111), which in turn leads to selective synthesis of polymeric chains or new organic molecules.

  6. Inhibition and Promotion of Pyrolysis by Hydrogen Sulfide (H2S) and Sulfanyl Radical (SH)

    DEFF Research Database (Denmark)

    Zeng, Zhe; Altarawneh, Mohammednoor; Oluwoye, Ibukun

    2016-01-01

    processes. For the three groups of hydrocarbon, Evans–Polanyi plots display linear correlations between the bond dissociation enthalpies of the abstracted hydrogens and the relevant activation energies. In the case of methane, we demonstrated that the reactivity of SH radicals toward abstracting H atoms......This study resolves the interaction of sulfanyl radical (SH) with aliphatic (C1–C4) hydrocarbons, using CBS-QB3 based calculations. We obtained the C–H dissociation enthalpies and located the weakest link in each hydrocarbon. Subsequent computations revealed that, H abstraction by SH from...... the weakest C–H sites in alkenes and alkynes, except for ethylene, appears noticeably exothermic. Furthermore, abstraction of H from propene, 1-butene, and iso-butene displays pronounced spontaneity (i.e., ΔrG° bond. However...

  7. An effective 2-band eg model of sulfur hydride H3S for high-Tc superconductivity

    Science.gov (United States)

    Nishiguchi, Kazutaka; Teranishi, Shingo; Miyao, Satoaki; Matsushita, Goh; Kusakabe, Koichi

    To understand high transition temperature (Tc) superconductivity in sulfur hydride H3S, we propose an effective 2-band model having the eg symmetry as the minimal model for H3S. Two eg orbitals centered on a sulfur S atom are chosen for the smallest representation of relevant bands with the van-Hove singularity around the Fermi levels except for the Γ-centered small hole pockets by the sulfur 3 p orbitals. By using the maximally localized Wannier functions, we derive the minimal effective model preserving the body-centered cubic (bcc) crystal symmetry of the H3S phase having the highest Tc ( 203 K under pressures) among the other polymorphs of H3S.

  8. MAPPING H-BAND SCATTERED LIGHT EMISSION IN THE MYSTERIOUS SR21 TRANSITIONAL DISK

    International Nuclear Information System (INIS)

    Follette, Katherine B.; Close, Laird; Tamura, Motohide; Hashimoto, Jun; Kwon, Jungmi; Kandori, Ryo; Whitney, Barbara; Grady, Carol; Andrews, Sean M.; Wisniewski, John; Brandt, Timothy D.; Dong, Ruobing; Mayama, Satoshi; Abe, Lyu; Brandner, Wolfgang; Feldt, Markus; Carson, Joseph; Currie, Thayne; Egner, Sebastian E.; Goto, Miwa

    2013-01-01

    We present the first near infrared (NIR) spatially resolved images of the circumstellar transitional disk around SR21. These images were obtained with the Subaru HiCIAO camera, adaptive optics, and the polarized differential imaging technique. We resolve the disk in scattered light at H-band for stellocentric 0.''1 ≤ r ≤ 0.''6 (12 ∼ –6 ) are inconsistent with our H-band images when they are assumed to carry over to small grains, suggesting that surface grains scattering in the NIR either survive or are generated by whatever mechanism is clearing the disk midplane. In fact, the radial polarized intensity profile of our H-band observations is smooth and steeply inwardly-increasing (r –3 ), with no evidence of a break at the 36 AU sub-mm cavity wall. We hypothesize that this profile is dominated by an optically thin disk envelope or atmosphere component. We also discuss the compatibility of our data with the previously postulated existence of a sub-stellar companion to SR21 at r ∼ 10-20 AU, and find that we can neither exclude nor verify this scenario. This study demonstrates the power of multiwavelength imaging of transitional disks to inform modeling efforts, including the debate over precisely what physical mechanism is responsible for clearing these disks of their large midplane grains.

  9. Collision processes of hydrocarbon species in hydrogen plasmas. II The ethane and propane families

    CERN Document Server

    Janev, R K

    2002-01-01

    Cross sections and rate coefficients are provided for collision processes of electrons and protons with C sub x H sub y and C sub x H sub y sup + (x = 2, 3; 1 <= y <= 2x + 2) hydrocarbon species in a wide range of collision energies and plasma (gas) temperatures. The considered processes include: electron-impact ionization and dissociation of C sub x H sub y , dissociative excitation, ionization and recombination of C sub x H sub y sup + with electrons, and both charge transfer and atom exchange in proton channels are considered separately. Information is also provided for the energies of each individual reaction channel. The cross sections and rate coefficients are presented in compact analytic forms.

  10. Hydrocarbon removal from bilgewater by a combination of air-stripping and photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Cazoir, D., E-mail: david.cazoir@ircelyon.univ-lyon1.fr [University Lyon 1, Lyon, F-69626, France, CNRS, UMR5256, IRCELYON, Institut de Recherches sur la Catalyse et l' Environnement de Lyon, Villeurbanne, F-69626 (France); Fine, L.; Ferronato, C.; Chovelon, J.-M. [University Lyon 1, Lyon, F-69626, France, CNRS, UMR5256, IRCELYON, Institut de Recherches sur la Catalyse et l' Environnement de Lyon, Villeurbanne, F-69626 (France)

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer Bilge water is an oily effluent that contaminates oceans and seas (MARPOL73/78). Black-Right-Pointing-Pointer Hydrocarbon removal was studied by photocatalysis and air-stripping, together used. Black-Right-Pointing-Pointer Both aqueous and gaseous phases were monitored by GC-MS during the process. Black-Right-Pointing-Pointer The combined process showed a better efficiency and a synergistic effect. Black-Right-Pointing-Pointer N-Alkanes (N{sub C} > 15) appeared as being the most refractory compounds. - Abstract: In order to prevent hydrocarbon discharge at sea from the bilge of ships, the International Maritime Organization (IMO) enacted the MARPOL 73/78 convention in which effluents are now limited to those with maximum oil content of 15 ppmv. Thus, photocatalysis and air-stripping were combined for the hydrocarbon removal from a real oily bilgewater sample and an original monitoring of both aqueous and gaseous phases was performed by GC/MS to better understand the process. Our results show that the hydrocarbon oil index [HC] can be reduced to its maximum permissible value of 15 ppmv (MARPOL) in only 8.5 h when photocatalysis and air-stripping are used together in a synergistic way, as against 17 h when photocatalysis is used alone. However, this air-assisted photocatalytic process emits a large quantity of volatile organic compounds (VOC) and, within the first four hours, ca. 10% of the hydrocarbon removal in the aqueous phase is actually just transferred into the gaseous one. Finally, we highlight that the n-alkanes with a number of carbon atoms higher than 15 (N{sub C} > 15) are those which most decrease the rate of [HC] removal.

  11. Monitoring the bio-stimulation of hydrocarbon-contaminated soils by measurements of soil electrical properties, and CO2 content and its 13C/12C isotopic signature

    Science.gov (United States)

    Noel, C.; Gourry, J.; Ignatiadis, I.; Colombano, S.; Dictor, M.; Guimbaud, C.; Chartier, M.; Dumestre, A.; Dehez, S.; Naudet, V.

    2013-12-01

    Hydrocarbon contaminated soils represent an environmental issue as it impacts on ecosystems and aquifers. Where significant subsurface heterogeneity exists, conventional intrusive investigations and groundwater sampling can be insufficient to obtain a robust monitoring of hydrocarbon contaminants, as the information they provide is restricted to vertical profiles at discrete locations, with no information between sampling points. In order to obtain wider information in space volume on subsurface modifications, complementary methods can be used like geophysics. Among geophysical methods, geoelectrical techniques such as electrical resistivity (ER) and induced polarization (IP) seem the more promising, especially to study the effects of biodegradation processes. Laboratory and field geoelectrical experiments to characterize soils contaminated by oil products have shown that mature hydrocarbon-contaminated soils are characterized by enhanced electrical conductivity although hydrocarbons are electrically resistive. This high bulk conductivity is due to bacterial impacts on geological media, resulting in changes in the chemical and physical properties and thus, to the geophysical properties of the ground. Moreover, microbial activity induced CO2 production and isotopic deviation of carbon. Indeed, produced CO2 will reflect the pollutant isotopic signature. Thus, the ratio δ13C(CO2) will come closer to δ13C(hydrocarbon). BIOPHY, project supported by the French National Research Agency (ANR), proposes to use electrical methods and gas analyses to develop an operational and non-destructive method for monitoring in situ biodegradation of hydrocarbons in order to optimize soil treatment. Demonstration field is located in the South of Paris (France), where liquid fuels (gasoline and diesel) leaked from some tanks in 1997. In order to stimulate biodegradation, a trench has been dug to supply oxygen to the water table and thus stimulate aerobic metabolic bioprocesses. ER and

  12. Project PHARUS: Towards a polarimetric C-band airborne SAR

    NARCIS (Netherlands)

    Hoogeboom, P.; Koomen, P.J.; Otten, M.P.G.; Pouwels, H.; Snoeij, P.

    1989-01-01

    A few years ago three institutes in the Netherlands developed a plan to design and build a polarimetric C-band aircraft SAR system of a novel design, called PHARUS (PHased Array Universal SAR), meant as a replacement for our current digital SLAR system. These institutes are the Physics and

  13. Characterization of N-doped multilayer graphene grown on 4H-SiC (0001)

    International Nuclear Information System (INIS)

    Arezki, Hakim; Jaffré, Alexandre; Alamarguy, David; Alvarez, José; Kleider, Jean-Paul; Boutchich, Mohamed; Ho, Kuan-I; Lai, Chao-Sung

    2015-01-01

    Large-area graphene film doped with hetero-atoms is of great interest for a wide spectrum of nanoelectronics applications, such as field effect devices, super capacitors, fuel cells among many others. Here, we report the structural and electronic properties of nitrogen doped multilayer graphene on 4H-SiC (0001). The incorporation of nitrogen during the growth causes an increase in the D band on the Raman signature indicating that the nitrogen is creating defects. The analysis of micro-Raman mapping of G, D, 2D bands shows a predominantly trilayer graphene with a D band inherent to doping and inhomogeneous dopant distribution at the step edges. Ultraviolet photoelectron spectroscopy (UPS) indicates an n type work function (WF) of 4.1 eV. In addition, a top gate FET device was fabricated showing n-type I-V characteristic after the desorption of oxygen with high electron and holes mobilities

  14. A novel approach to predict the excess volume of hydrocarbon mixtures

    NARCIS (Netherlands)

    Finkers, H. J.; Bosma, J. C.; Broekhuis, A. A.

    2011-01-01

    This paper explores whether principles obtained for the packing of solid macroscopic particles can be applied to the study of excess volumes of liquid mixtures. The approach is applied to mixtures of 'pure' hydrocarbons, i.e. containing only C- and H-atoms. In this new approach a set of equations

  15. Oil-shale gasification for obtaining of gas for synthesis of aliphatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Strizhakova, Yu. [Samara State Univ. (Russian Federation); Avakyan, T.; Lapidus, A.L. [I.M. Gubkin Russian State Univ. of Oil and Gas, Moscow (Russian Federation)

    2011-07-01

    Nowadays, the problem of qualified usage of solid fossil fuels as raw materials for obtaining of motor fuels and chemical products is becoming increasingly important. Gasification with further processing of gaseous products is a one of possible ways of their use. Production of synthesis gas with H{sub 2}/CO ratio equal 2 is possible by gasification of oil-shale. This gas is converted into the mixture of hydrocarbons over cobalt catalyst at temperature from 160 to 210 C at atmospheric pressure. The hydrocarbons can be used as motor, including diesel, or reactive fuel. (orig.)

  16. Petroleum hydrocarbons and polycyclic aromatic hydrocarbons (PAHs) in Hong Kong marine sediments

    International Nuclear Information System (INIS)

    Zheng, G.J.; Richardson, B.J.

    1999-01-01

    A total of 20 surficial sediment samples, obtained from Hong Kong coastal waters, were analysed for petroleum hydrocarbons (PHCs) and a suite of 15 polycyclic aromatic hydrocarbons (PAHs). The results indicate that Hong Kong coastal sediments are often seriously polluted with petroleum related hydrocarbons. This is especially so in heavily urbanised or industrialized localities, such as Kowloon Bay (Victoria Harbour), Tsing Yi North and Tolo Harbour. Petroleum hydrocarbon pollutants in marine sediments are believed to be mainly derived from the transportation of oil, shipping activities, spillages, and industrial, stormwater and waste wastewater discharge. The ratio of unresolved complex mixture (UCM) to n-alkanes, carbon preference index (CPI), and n-C 16 values indicate that the main contribution to petroleum hydrocarbon contamination is via oil and its products. Pollutant sources appear to be stable and continuing when compared with previous data. (author)

  17. Performance estimation of ejector cycles using heavier hydrocarbon refrigerants

    International Nuclear Information System (INIS)

    Kasperski, Jacek; Gil, Bartosz

    2014-01-01

    Computer software basing on theoretical model of Huang et al. with thermodynamic properties of hydrocarbons was prepared. Investigation was focused on nine hydrocarbons: propane, butane, iso-butane, pentane, iso-pentane, hexane, heptane and octane. A series of calculations was carried out for the generator temperature between 70 and 200 °C, with assumed temperatures of evaporation 10 °C and condensation 40 °C. Calculation results show that none of the hydrocarbons enables high efficiency of a cycle in a wide range of temperature. Each hydrocarbon has its own maximal entrainment ratio at its individual temperature of optimum. Temperatures of entrainment ratios optimum increase according to the hydrocarbon heaviness with simultaneous increase of entrainment ratio peak values. Peak values of the COP do not increase according to the hydrocarbons heaviness. The highest COP = 0.32 is achieved for iso-butane at 102 °C and the COP = 0.28 for pentane at 165 °C. Heptane and octane can be ignored. - Highlights: • Advantages of use of higher hydrocarbons as ejector refrigerants were presumed. • Computer software basing on theoretical model of Huang et al. (1999) was prepared. • Optimal temperature range of vapor generation for each hydrocarbon was calculated

  18. Tröger’s Base Ladder Polymer for Membrane-Based Hydrocarbon Separation

    KAUST Repository

    Alhazmi, Abdulrahman

    2017-05-01

    The use of polymeric membranes for natural gas separation has rapidly increased during the past three decades, particularly for carbon dioxide separation from natural gas. Another valuable application is the separation of heavy hydrocarbons from methane (fuel gas conditioning), more importantly for remote area and off-shore applications. A new potential polymeric membrane that might be utilized for natural gas separations is a Tröger’s base ladder polymer (PIM-Trip-TB-2). This glassy polymeric membrane was synthesized by the polymerization reaction of 9, 10-dimethyl-2,6 (7) diaminotriptycene with dimethoxymethane. In this research, the polymer was selected due to its high surface area and highly interconnected microporous structure. Sorption isotherms of nitrogen (N2), oxygen (O¬2), methane (CH4), carbon dioxide (CO2), ethane (C2H6), propane (C3H8), and n-butane (n-C4H10) were measured at 35 °C over a range of pressures using a Hiden Intelligent Gravimetric Analyzer, IGA. The more condensable gases (C2H6, CO2, C3H8, and n-C4H10) showed high solubility due to their high affinity to the polymer matrix. The permeation coefficients were determined for various gases at 35 °C and pressure difference of 5 bar via the constant-pressure/variable-volume method. The PIM-Trip-TB-2 film exhibited high performance for several high-impact applications, such as O2/N2, H2/N2 and H2/CH4. Also, physical aging for several gases was examined by measuring the permeability coefficients at different periods of time. Moreover, a series of mixed-gas permeation tests was performed using 2 vol.% n-C4H10/98 vol.% CH4 and the results showed similar transport characteristics to other microporous polymers with pores of less than 2 nm. The work performed in this research suggested that PIM-Trip-TB-2 is suitable for the separation of: (i) higher hydrocarbons from methane and (ii) small, non-condensable gases such as O2/N2 and H2/CH4.

  19. Hydrocarbon Reserves: Abundance or Scarcity

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    impact on the growth of reserves and resources (H. Le Leuch); Additional reserves: the role of new technologies - A global perspective on EORIOR (G. Fries); - Updating reservoir models with dynamic data and uncertainty quantification: an integrated approach (F. Roggero); Seismic technology for the OAPEC countries (P. Canal); Exploration knowledge and technologies: impact of progress - Statistical results (N. Alazard); Stratigraphic modelling as a key to find new potentialities in exploration (D. Granjeon); Modelling hydrocarbon migration as a tool for reserve estimation (J-L. Rudkiewicz); The contribution of surface and near surface geology to hydrocarbon discoveries (S.M. Kumati); Contribution of the exploration activity in renewing reserves - The case of Algeria (R. Lounissi); Egypt's petroleum hydrocarbon potential (H. Hataba); Future of hydrocarbon reserves in Syria (T. Hemsh); Natural gas, the fuel of choice for decades to com (M.F. Chabrelie); The role and importance of Arab natural gas in world market (M. Al-Lababidi); LNG and GTL: two pathways for natural gas utilization (C. Cameron); Yet to find hydrocarbon potential (S. Al Menhali); Libyan context of hydrocarbon reserves: abundance or scarcity? (M. Elazi)

  20. Effects of inter-fullerene π-band mixings in the photoexcitation of hybrid plasmons in the C60@C240 molecule

    Science.gov (United States)

    de, Rume; Madjet, Mohamed; Chakraborty, Himadri

    2013-05-01

    We perform a detailed study of the ground state electronic structure of a two-layer fullerene onion molecule C60@C240. Calculations are carried out in a quantum mechanical framework of local density approximation (LDA) where the onion's ion-core of sixty C4+ ions from C60 and two hundred and forty of those from C240 is smeared into a classical jellium distribution. Significant inter-fullerene mixing between the bands of single-node radial symmetry, the π-bands, is found. We then compute the photoionization from all the levels of the system using a time-dependent version of LDA at photon energies where the ionization is dominated by the inter-layer hybridization of collective plasmon resonances. It is determined, by comparing the isolated fullerene cross sections with the cross section of the onion system for both π and σ (having nodeless radial waves) symmetry, that the π-band mixing is predominantly responsible for the production of plasmon hybrids. Supported by NSF and DOE.

  1. Continuously tunable S and C+L bands ultra wideband erbium-doped fiber ring laser

    International Nuclear Information System (INIS)

    Wang, Q; Yu, Q X

    2009-01-01

    This paper presents an ultra wideband tunable silica-based erbium doped fiber ring laser (EDFRL) that can be continuously tuned in S and C+L bands from 1475 to 1619 nm. It is the first time that a fiber ring laser's tuning range reaches 144 nm using a standard silica-based C-band erbium-doped fiber as gain media. In the laser configuration two isolators are used in the fiber loop for suppressing the ASE in C-band and elevating the lasing gain in S-band. As a result the available lasing wavelength is extended toward the shorter wavelength of the gain bandwidth. The optimized erbium-doped fiber length, output coupling ratio and pumping laser power have been obtained through experimental study. This ring fiber laser has simple configuration, low threshold, flat laser spectral distribution and high signal-to-ASE-noise ratio. The laser will have many potential applications in fiber sensor wavelength interrogation, high-resolution spectroscopy and fiber optic communications

  2. Catalytic Performance for Hydrocarbon Production from Syngas on the Promoted Co-Based Hybrid Catalysts; Influence of Pt Contents

    Directory of Open Access Journals (Sweden)

    Suk-Hwan Kang

    2017-10-01

    How to Cite: Kang, S.H., Ryu, J.H., Kim, J.H., Kim, H.S., Yang, H.C., Chung, D.Y. (2017. Catalytic Performance for Hydrocarbon Production from Syngas on the Promoted Co-Based Hybrid Catalysts; Influence of Pt Contents. Bulletin of Chemical Reaction Engineering & Catalysis, 12 (3: 452-459 (doi:10.9767/bcrec.12.3.592.452-459

  3. Dual-polarization, wideband microstrip antenna array for airborne C-band SAR

    DEFF Research Database (Denmark)

    Granholm, Johan; Skou, Niels

    2000-01-01

    The paper describes the development of a C-band, dual linear polarization wideband antenna array, for use in the next-generation of the Danish airborne polarimetric synthetic aperture radar (SAR) system. The array is made of probe-fed, stacked microstrip patches. The design and performance of the...... of the basic stacked patch element, operating from 4.9 GHz to 5.7 GHz, and a 2×2 element test array of these, are described.......The paper describes the development of a C-band, dual linear polarization wideband antenna array, for use in the next-generation of the Danish airborne polarimetric synthetic aperture radar (SAR) system. The array is made of probe-fed, stacked microstrip patches. The design and performance...

  4. Hydrocarbon profiles throughout adult Calliphoridae aging: A promising tool for forensic entomology.

    Science.gov (United States)

    Pechal, Jennifer L; Moore, Hannah; Drijfhout, Falko; Benbow, M Eric

    2014-12-01

    Blow flies (Diptera: Calliphoridae) are typically the first insects to arrive at human remains and carrion. Predictable succession patterns and known larval development of necrophagous insects on vertebrate remains can assist a forensic entomologist with estimates of a minimum post-mortem interval (PMImin) range. However, adult blow flies are infrequently used to estimate the PMImin, but rather are used for a confirmation of larval species identification. Cuticular hydrocarbons have demonstrated potential for estimating adult blow fly age, as hydrocarbons are present throughout blow fly development, from egg to adult, and are stable structures. The goal of this study was to identify hydrocarbon profiles associated with the adults of a North American native blow fly species, Cochliomyia macellaria (Fabricius) and a North American invasive species, Chrysomya rufifacies (Macquart). Flies were reared at a constant temperature (25°C), a photoperiod of 14:10 (L:D) (h), and were provided water, sugar and powdered milk ad libitum. Ten adult females from each species were collected at day 1, 5, 10, 20, and 30 post-emergence. Hydrocarbon compounds were extracted and then identified using gas chromatography-mass spectrometry (GC-MS) analysis. A total of 37 and 35 compounds were detected from C. macellaria and Ch. rufifacies, respectively. There were 24 and 23 n-alkene and methyl-branched alkane hydrocarbons from C. macellaria and Ch. rufifacies, respectively (10 compounds were shared between species), used for statistical analysis. Non-metric multidimensional scaling analysis and permutational multivariate analysis of variance were used to analyze the hydrocarbon profiles with significant differences (Pforensic practitioners and potentially increase the use of adult insects during death investigations. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  5. From ASCAT to Sentinel-1: Soil Moisture Monitoring using European C-Band Radars

    Science.gov (United States)

    Wagner, Wolfgang; Bauer-Marschallinger, Bernhard; Hochstöger, Simon

    2016-04-01

    backscatter observation, the same physical processes and geophysical variables (e.g. vegetation optical depth, surface roughness, soil volume scattering, etc.) need to be considered. The difference lies mainly in the scaling, i.e. how prominently the different variables influence the C-band data at the different spatial (25 km versus 20 m) and temporal (daily versus 3-30 days repeat coverage) scales. Therefore, while the general properties of soil moisture retrievals schemes used for ASCAT and Sentinel-1 can be the same, the details of the algorithm and parameterization will be different. This presentation will review similarities and differences of soil moisture retrieval approaches used for ASCAT and Sentinel-1, with a focus on the change detection method developed by TU Wien. Some first comparisons of ASCAT and Sentinel-1 soil moisture data over Europe will also be shown. REFERENCES Entekhabi, D., Njoku, E.G., O'Neill, P.E., Kellog, K.H., Crow, W.T., Edelstein, W.N., Entin, J.K., Goodman, S.D., Jackson, T.J., Johnson, J., Kimball, J., Piepmeier, J.R., Koster, R., Martin, N., McDonald, K.C., Moghaddam, M., Moran, S., Reichle, R., Shi, J.C., Spencer, M.W., Thurman, S.W., Tsang, L., & Van Zyl, J. (2010). The Soil Moisture Active Passive (SMAP) mission. Proceedings of the IEEE, 98, 704-716 Hornacek, M., Wagner, W., Sabel, D., Truong, H.L., Snoeij, P., Hahmann, T., Diedrich, E., & Doubkova, M. (2012). Potential for High Resolution Systematic Global Surface Soil Moisture Retrieval via Change Detection Using Sentinel-1. IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing, 5, 1303-1311 Wagner, W., Hahn, S., Kidd, R., Melzer, T., Bartalis, Z., Hasenauer, S., Figa-Saldana, J., De Rosnay, P., Jann, A., Schneider, S., Komma, J., Kubu, G., Brugger, K., Aubrecht, C., Züger, C., Gangkofer, U., Kienberger, S., Brocca, L., Wang, Y., Blöschl, G., Eitzinger, J., Steinnocher, K., Zeil, P., & Rubel, F. (2013). The ASCAT soil moisture product: A review of its

  6. A PBE hybrid functional study of blue-shifting and red-shifting hydrogen bonds in p hydrocarbons

    Directory of Open Access Journals (Sweden)

    Boaz Galdino de Oliveira

    2009-07-01

    Full Text Available This study examines a selected group of p hydrocarbon complexes, represented by C2H4•••HCF3, C2H2•••HCF3, C2H4•••HCF3 and C2H2•••HCF3, from a theoretical point of view. From BPBE/6-311++G(d,p calculations, the geometrical results of these complexes revealed an elongation and shortening of the H—C bond lengths of chloroform (HCCl3 and fluoroform (HCF3, respectively. In terms of the infrared spectrum, the analysis of stretch frequencies revealed that the variations in the H—C modes are essentially recognized as red and blue-shifting modes. For the purposes of understanding the two vibrational phenomena of the p hydrocarbon complexes studied here, PBE/6-311++G(d,p calculations were carried out and partitioning of atomic charges derived from the ChelpG algorithm were also used. A theoretical justification of red- and blue-shift effects was drawn up using charge-transfer analysis, which is manifested in the p bonds of acetylene and ethylene to chloroform (H—CCl3 and fluoroform (H—CF3, respectively. Finally, a further debate regarding the distinct polarizability power of chloroform and fluoroform is presented, concluding that, in comparison with fluoroform, chloroform possesses the requisite features for conventional proton donors and a red-shift is therefore observed in the C2H4•••HCCl3 and C2H2•••HCCl3 complexes.

  7. The genetic source and timing of hydrocarbon formation in gas hydrate reservoirs in Green Canyon, Block GC955

    Science.gov (United States)

    Moore, M. T.; Darrah, T.; Cook, A.; Sawyer, D.; Phillips, S.; Whyte, C. J.; Lary, B. A.

    2017-12-01

    Although large volumes of gas hydrates are known to exist along continental slopes and below permafrost, their role in the energy sector and the global carbon cycle remains uncertain. Investigations regarding the genetic source(s) (i.e., biogenic, thermogenic, mixed sources of hydrocarbon gases), the location of hydrocarbon generation, (whether hydrocarbons formed within the current reservoir formations or underwent migration), rates of clathrate formation, and the timing of natural gas formation/accumulation within clathrates are vital to evaluate economic potential and enhance our understanding of geologic processes. Previous studies addressed some of these questions through analysis of conventional hydrocarbon molecular (C1/C2+) and stable isotopic (e.g., δ13C-CH4, δ2H-CH4, δ13C-CO2) composition of gases, water chemistry and isotopes (e.g., major and trace elements, δ2H-H2O, δ18O-H2O), and dissolved inorganic carbon (δ13C-DIC) of natural gas hydrate systems to determine proportions of biogenic and thermogenic gas. However, the effects from contributions of mixing, transport/migration, methanogenesis, and oxidation in the subsurface can complicate the first-order application of these techniques. Because the original noble gas composition of a fluid is preserved independent of microbial activity, chemical reactions, or changes in oxygen fugacity, the integration of noble gas data can provide both a geochemical fingerprint for sources of fluids and an additional insight as to the uncertainty between effects of mixing versus post-genetic modification. Here, we integrate inert noble gases (He, Ne, Ar, and associated isotopes) with these conventional approaches to better constrain the source of gas hydrate formation and the residence time of fluids (porewaters and natural gases) using radiogenic 4He ingrowth techniques in cores from two boreholes collected as part of the University of Texas led UT-GOM2-01 drilling project. Pressurized cores were extracted from

  8. He{sup +} irradiation temperature influence on the structure and nanohardness of hydrocarbon films

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Hongyu [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Yang, Deming [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); School of Science, Changchun University of Science and Technology, Changchun, Jilin 130022 (China); Sun, Li [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); School of Physics, Liaoning Normal University, Dalian 116023 (China); Yang, Qi; Niu, Jinhai [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Guo, Liping; Chen, Jihong [Accelerator Laboratory, School of Physics, Wuhan University, Wuhan 430072 (China); Bi, Zhenhua [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Liu, Dongping, E-mail: dongping.liu@dlnu.edu.cn [School of Physics and Materials Engineering, Dalian Nationalities University, Dalian 116600 (China); Fujian Key Laboratory for Plasma and Magnetic Resonance, Department of Electronic Science, Aeronautics, School of Physics and Mechanical and Electrical Engineering, Xiamen University, Xiamen, Fujian 361005 (China)

    2013-09-15

    Polymer-like hydrocarbon films were irradiated with 100 keV He{sup +} or annealed at sample temperatures varying from 25 to 600 °C. The effects of sample temperature on the structure and nanohardness of hydrocarbon films are investigated by atomic force microscopy (AFM), AFM-based nanoindentation, Fourier transform infrared spectroscopy, and Raman spectroscopy. Analysis shows that annealing results in the decrease in the nanohardness of hydrocarbon films from 4.0 GPa to 0.55 GPa while He{sup +} irradiation at an elevated sample temperature results in the formation of dense diamond-like carbon films with nanohardness up to 20.0 GPa. This indicates that polymer-like hydrocarbon films can be transformed into the hard diamond-like carbon films with a relatively low H content on vacuum vessels of fusion devices due to the energetic bombardments at an elevated wall temperature.

  9. Certification of a second series of five hydrocarbon materials for the determination of equilibrium flashpoint (temperature ranges -10/sup 0/C to +5/sup 0/C and 80/sup 0/C to 135/sup 0/C)

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, D J; Gonska, H; Karcher, W

    1984-01-01

    The closed cup flashpoints of five pure hydrocarbon materials (iso-octane, toluene, n-dodecane, n-tetradecane and n-hexadecane) have been determined by equilibrium methods in an interlaboratory exercise, involving twelve laboratories of the European Community member countries and one laboratory of the Commission of the European Communities. The methods used were based on IP303/74 (or ASTM D3278-73; Rapid Tester) and IP304/74 (Abel, Abel-Pensky, Pensky-Martens Cups) with extension to allow equilibrium conditions to be maintained outside the ranges of these methods. For each hydrocarbon material, the numbers of individual measurements accepted have been between 81 and 92. As a result, the closed cup flashpoints of these materials by an equilibrium method are certified at the following temperatures: CRM No. Hydrocarbon Equilibrium closed cup flashpoint 83 iso-octane -9.5 +- 0.5/sup 0/C 84 toluene +6.0 +- 0.5/sup 0/C 85 n-dodecane +81.0 +- 1.0/sup 0/C 86 n-tetradecane +108.0 +- 1.0/sup 0/C 87 n-hexadecane +133.5 +- 1.0/sup 0/C. This report describes the experimental details of the interlaboratory measurements and the certification procedure. The procedure required extensions to be made to methods IP303/74 and IP304/74 which are given in detail and recommendations are made for the improvement of these methods over the temperature range covered by the flashpoint reference materials.

  10. Remediation of hydrocarbons in crude oil-contaminated soils using Fenton's reagent.

    Science.gov (United States)

    Ojinnaka, Chukwunonye; Osuji, Leo; Achugasim, Ozioma

    2012-11-01

    Sandy soil samples spiked with Bonny light crude oil were subsequently treated with Fenton's reagent at acidic, neutral, and basic pH ranges. Oil extracts from these samples including an untreated one were analyzed 1 week later with a gas chromatograph to provide evidence of hydrocarbon depletion by the oxidant. The reduction of three broad hydrocarbon groups-total petroleum hydrocarbon (TPH); benzene, toluene, ethylbenzene, and xylene (BTEX); and polycyclic aromatic hydrocarbon (PAH) were investigated at various pHs. Hydrocarbon removal was efficient, with treatment at the acidic pH giving the highest removal of about 96% for PAH, 99% for BTEX, and some TPH components experiencing complete disappearance. The four-ringed PAHs were depleted more than their three-ringed counterparts at the studied pH ranges.

  11. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W. Jr.; Allamandola, Louis J.

    2013-01-01

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster

  12. THE INFRARED SPECTROSCOPY OF NEUTRAL POLYCYCLIC AROMATIC HYDROCARBON CLUSTERS

    Energy Technology Data Exchange (ETDEWEB)

    Ricca, Alessandra [Carl Sagan Center, SETI Institute, 189 Bernardo Avenue, Suite 100, Mountain View, CA 94043 (United States); Bauschlicher, Charles W. Jr. [Entry Systems and Technology Division, Mail Stop 230-3, NASA Ames Research Center, Moffett Field, CA 94035 (United States); Allamandola, Louis J., E-mail: Alessandra.Ricca-1@nasa.gov, E-mail: Charles.W.Bauschlicher@nasa.gov [Space Science Division, Mail Stop 245-6, NASA Ames Research Center, Moffett Field, CA 94035 (United States)

    2013-10-10

    The mid-infrared spectra of neutral homogeneous polycyclic aromatic hydrocarbon (PAH) clusters have been computed using density functional theory including an empirical correction for dispersion. The C-H out-of-plane bending modes are redshifted for all the clusters considered in this work. The magnitude of the redshift and the peak broadening are dependent on PAH size, shape, and on the PAH arrangement in the cluster.

  13. Microbial activity and soil organic matter decay in roadside soils polluted with petroleum hydrocarbons

    Science.gov (United States)

    Mykhailova, Larysa; Fischer, Thomas; Iurchenko, Valentina

    2015-04-01

    It has been demonstrated previously that hydrocarbon addition to soil provokes soil organic matter priming (Zyakun et al., 2011). It has further been shown that petroleum hydrocarbons deposit to roadside soils bound to fine mineral particles and together with vehicle spray (Mykhailova et al., 2014), and that hydrocarbon concentrations decrease to safe levels within the first 15 m from the road, reaching background concentrations at 60-100 m distance (Mykhailova et al., 2013). It was the aim of this study to (I) identify the bioavailability of different petroleum hydrocarbon fractions to degradation and to (II) identify the native (i.e. pedogenic) C fraction affected by hydrocarbon-mediated soil organic matter priming during decay. To address this aim, we collected soil samples at distances from 1 to 100 m (sampling depth 15 cm) near the Traktorostroiteley avenue and the Pushkinskaya street in Kharkov, as well as near the country road M18 near Kharkov, Ukraine. The roads have been under exploitation for several decades, so microbial adaptation to enhanced hydrocarbon levels and full expression of effects could be assumed. The following C fractions were quantified using 13C-CP/MAS-NMR: Carbohydrates, Proteins, Lignin, Aliphates, Carbonyl/Carboxyl as well as black carbon according to Nelson and Baldock (2005). Petroleum hydrocarbons were determind after hexane extraction using GC-MS and divided into a light fraction (chain-length C27, Mykhailova et al., 2013). Potential soil respiration was determined every 48 h by trapping of CO2 evolving from 20 g soil in NaOH at 20 ° C and at 60% of the maximum water holding capacity and titration after a total incubation period of 4 weeks in the lab. It was found that soil respiration positively correlated with the ratio of the light fraction to the sum of medium and heavy fractions of petroleum hydrocarbons, which indicates higher biodegradation primarily of the light petroleum hydrocarbon fraction. Further, soil respiration was

  14. Biological Activity Assessment in Mexican Tropical Soils with Different Hydrocarbon Contamination Histories.

    Science.gov (United States)

    Riveroll-Larios, Jessica; Escalante-Espinosa, Erika; Fócil-Monterrubio, Reyna L; Díaz-Ramírez, Ildefonso J

    The use of soil health indicators linked to microbial activities, such as key enzymes and respirometric profiles, helps assess the natural attenuation potential of soils contaminated with hydrocarbons. In this study, the intrinsic physicochemical characteristics, biological activity and biodegradation potential were recorded for two soils with different contamination histories (>5 years and soil samples. Soil suspensions were tested as microbial inocula in biodegradation potential assays using contaminated perlite as an inert support. The basal respiratory rate of the recently contaminated soil was 15-38 mg C-CO 2  kg -1 h -1 , while the weathered soil presented a greater basal mineralisation capacity of 55-70 mg C-CO 2 kg -1 h -1 . The basal levels of lipase and dehydrogenase were significantly greater than those recorded in non-contaminated soils (551 ± 21 μg pNP g -1 ). Regarding the biodegradation potential assessment, the lipase (1000-3000 μg pNP g -1 of perlite) and dehydrogenase (~3000 μg INF g -1 of perlite) activities in the inoculum of the recently contaminated soil were greater than those recorded in the inoculum of the weathered soil. This was correlated with a high mineralisation rate (~30 mg C-CO 2 kg -1 h -1 ) in the recently contaminated soil and a reduction in hydrocarbon concentration (~30 %). The combination of an inert support and enzymatic and respirometric analyses made it possible to detect the different biodegradation capacities of the studied inocula and the natural attenuation potential of a recently contaminated soil at high hydrocarbon concentrations.

  15. Time resolved spectra in the infrared absorption and emission from shock heated hydrocarbons. [in interstellar medium

    Science.gov (United States)

    Bauer, S. H.; Borchardt, D. B.

    1990-01-01

    The wavelength range of a previously constructed multichannel fast recording spectrometer was extended to the mid-infrared. With the initial configuration, light intensities were recorded simultaneously with a silicon-diode array simultaneously at 20 adjacent wavelengths, each with a 20-micron time resolution. For studies in the infrared, the silicon diodes were replaced by a 20-element PbSe array of similar dimensions, cooled by a three-stage thermoelectric device. It is proposed that infrared emissions could be due to shock-heated low molecular-weight hydrocarbons. The full Swan band system appeared in time-integrated emission spectra from shock-heated C2H2; no soot was generated. At low resolution, the profiles on the high-frequency side of the black body maximum show no distinctive features. These could be fitted to Planck curves, with temperatures that declined with time from an initial high that was intermediate between T5 (no conversion) and T5(eq).

  16. Polymeric thermal analysis of C + H and C + H + Ar ion implanted UHMWPE samples

    International Nuclear Information System (INIS)

    Kaya, N.; Oztarhan, Ahmet M.; Urkac, E.S.; Ila, D.; Budak, S.; Oks, E.; Nikolaev, A.; Ezdesir, A.; Tihminlioglu, F.; Tek, Z.; Cetiner, S.; Muntele, C.

    2007-01-01

    Chemical surface characterization of C + H hybrid ion implanted UHMWPE samples were carried out using DSC (differential scanning calorimeter) and TGA (thermal gravimetric analysis) techniques. Samples were implanted with a fluence of 10 17 ion/cm 2 and an extraction voltage of 30 kV. The study of TGA and DSC curves showed that: (1) Polymeric decomposition temperature increased (2) T m , ΔC p and ΔH m values changed while ΔC p and ΔH m increased. T g value could not be measured, because of some experimental limitations. However, the increase in ΔH m values showed that T g values increased (3) the branch density which indicated the increase in number of cross-link (M c ) decreased in ion implanted samples and (4) increase in ΔH m values indicated increase in crystallinity of implanted surface of UHMWPE samples

  17. Computational Study of Pincer Iridium Catalytic Systems: C-H, N-H, and C-C Bond Activation and C-C Coupling Reactions

    Science.gov (United States)

    Zhou, Tian

    Computational chemistry has achieved vast progress in the last decades in the field, which was considered to be only experimental before. DFT (density functional theory) calculations have been proven to be able to be applied to large systems, while maintaining high accuracy. One of the most important achievements of DFT calculations is in exploring the mechanism of bond activation reactions catalyzed by organometallic complexes. In this dissertation, we discuss DFT studies of several catalytic systems explored in the lab of Professor Alan S. Goldman. Headlines in the work are: (1) (R4PCP)Ir alkane dehydrogenation catalysts are highly selective and different from ( R4POCOP)Ir catalysts, predicting different rate-/selectivity-determining steps; (2) The study of the mechanism for double C-H addition/cyclometalation of phenanthrene or biphenyl by (tBu4PCP)Ir(I) and ( iPr4PCP)Ir illustrates that neutral Ir(III) C-H addition products can undergo a very facile second C-H addition, particularly in the case of sterically less-crowded Ir(I) complexes; (3) (iPr4PCP)Ir pure solid phase catalyst is highly effective in producing high yields of alpha-olefin products, since the activation enthalpy for dehydrogenation is higher than that for isomerization via an allyl pathway; higher temperatures favor the dehydrogenation/isomerization ratio; (4) (PCP)Ir(H)2(N2H4) complex follows a hydrogen transfer mechanism to undergo both dehydrogenation to form N 2 and H2, as well as hydrogen transfer followed by N-N bond cleavage to form NH3, N2, and H2; (5) The key for the catalytic effect of solvent molecule in CO insertion reaction for RMn(CO)5 is hydrogen bond assisted interaction. The basicity of the solvent determines the strength of the hydrogen bond interaction during the catalytic path and determines the catalytic power of the solvent; and (6) Dehydrogenative coupling of unactivated C-H bonds (intermolecular vinyl-vinyl, intramolecular vinyl-benzyl) is catalyzed by precursors of the

  18. Detailed modeling of hydrocarbon nanoparticle nucleation in acetylene discharges

    International Nuclear Information System (INIS)

    Bleecker, Kathleen de; Bogaerts, Annemie; Goedheer, Wim

    2006-01-01

    The initial stage of nanoparticle formation and growth in radiofrequency acetylene (C 2 H 2 ) plasmas is investigated by means of a self-consistent one-dimensional fluid model. A detailed chemical kinetic scheme, containing electron impact, ion-neutral, and neutral-neutral reactions, has been developed in order to predict the underlying dust growth mechanisms and the most important dust precursors. The model considers 41 different species (neutrals, radicals, ions, and electrons) describing hydrocarbons (C n H m ) containing up to 12 carbon atoms. Possible routes for particle growth are discussed. Both positive and negative ion reaction pathways are considered, as consecutive anion- and cation-molecule reactions seem to lead to a fast build up of the carbon skeleton

  19. CHEMICAL ABUNDANCES IN FIELD RED GIANTS FROM HIGH-RESOLUTION H-BAND SPECTRA USING THE APOGEE SPECTRAL LINELIST

    International Nuclear Information System (INIS)

    Smith, Verne V.; Cunha, Katia; Shetrone, Matthew D.; Meszaros, Szabolcs; Allende Prieto, Carlos; Bizyaev, Dmitry; Garcìa Pèrez, Ana; Majewski, Steven R.; Schiavon, Ricardo; Holtzman, Jon; Johnson, Jennifer A.

    2013-01-01

    High-resolution H-band spectra of five bright field K, M, and MS giants, obtained from the archives of the Kitt Peak National Observatory Fourier transform spectrometer, are analyzed to determine chemical abundances of 16 elements. The abundances were derived via spectrum synthesis using the detailed linelist prepared for the Sloan Digital Sky Survey III Apache Point Galactic Evolution Experiment (APOGEE), which is a high-resolution near-infrared spectroscopic survey to derive detailed chemical abundance distributions and precise radial velocities for 100,000 red giants sampling all Galactic stellar populations. The red giant sample studied here was chosen to probe which chemical elements can be derived reliably from the H-band APOGEE spectral region. These red giants consist of two K-giants (α Boo and μ Leo), two M-giants (β And and δ Oph), and one thermally pulsing asymptotic giant branch (TP-AGB) star of spectral type MS (HD 199799). Measured chemical abundances include the cosmochemically important isotopes 12 C, 13 C, 14 N, and 16 O, along with Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. The K and M giants exhibit the abundance signature of the first dredge-up of CN-cycle material, while the TP-AGB star shows clear evidence of the addition of 12 C synthesized during 4 He-burning thermal pulses and subsequent third dredge-up. A comparison of the abundances derived here with published values for these stars reveals consistent results to ∼0.1 dex. The APOGEE spectral region and linelist is thus well suited for probing both Galactic chemical evolution, as well as internal nucleosynthesis and mixing in populations of red giants via high-resolution spectroscopy.

  20. CHEMICAL ABUNDANCES IN FIELD RED GIANTS FROM HIGH-RESOLUTION H-BAND SPECTRA USING THE APOGEE SPECTRAL LINELIST

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Verne V.; Cunha, Katia [National Optical Astronomy Observatories, Tucson, AZ 85719 (United States); Shetrone, Matthew D. [Department of Astronomy and McDonald Observatory, University of Texas, Austin, TX 78712 (United States); Meszaros, Szabolcs; Allende Prieto, Carlos [Instituto d' Astrofisica de Canarias, E-38205, La Laguna, Tenerife (Spain); Bizyaev, Dmitry [Apache Point Observatory, Sunspot, NM 88349 (United States); Garcia Perez, Ana; Majewski, Steven R. [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Schiavon, Ricardo [Astrophysics Research Institute, Liverpool John Moores University, Liverpool L3 5UX (United Kingdom); Holtzman, Jon [Department of Astronomy, New Mexico State University, Las Cruces, NM 88003 (United States); Johnson, Jennifer A., E-mail: vsmith@noao.edu [Department of Astronomy, Ohio State University, Columbus, OH 43210 (United States)

    2013-03-01

    High-resolution H-band spectra of five bright field K, M, and MS giants, obtained from the archives of the Kitt Peak National Observatory Fourier transform spectrometer, are analyzed to determine chemical abundances of 16 elements. The abundances were derived via spectrum synthesis using the detailed linelist prepared for the Sloan Digital Sky Survey III Apache Point Galactic Evolution Experiment (APOGEE), which is a high-resolution near-infrared spectroscopic survey to derive detailed chemical abundance distributions and precise radial velocities for 100,000 red giants sampling all Galactic stellar populations. The red giant sample studied here was chosen to probe which chemical elements can be derived reliably from the H-band APOGEE spectral region. These red giants consist of two K-giants ({alpha} Boo and {mu} Leo), two M-giants ({beta} And and {delta} Oph), and one thermally pulsing asymptotic giant branch (TP-AGB) star of spectral type MS (HD 199799). Measured chemical abundances include the cosmochemically important isotopes {sup 12}C, {sup 13}C, {sup 14}N, and {sup 16}O, along with Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. The K and M giants exhibit the abundance signature of the first dredge-up of CN-cycle material, while the TP-AGB star shows clear evidence of the addition of {sup 12}C synthesized during {sup 4}He-burning thermal pulses and subsequent third dredge-up. A comparison of the abundances derived here with published values for these stars reveals consistent results to {approx}0.1 dex. The APOGEE spectral region and linelist is thus well suited for probing both Galactic chemical evolution, as well as internal nucleosynthesis and mixing in populations of red giants via high-resolution spectroscopy.

  1. Mid-IR Absorption Cross-Section Measurements of Hydrocarbons

    KAUST Repository

    Alrefae, Majed Abdullah

    2013-05-01

    Laser diagnostics are fast-response, non-intrusive and species-specific tools perfectly applicable for studying combustion processes. Quantitative measurements of species concentration and temperature require spectroscopic data to be well-known at combustion-relevant conditions. Absorption cross-section is an important spectroscopic quantity and has direct relation to the species concentration. In this work, the absorption cross-sections of basic hydrocarbons are measured using Fourier Transform Infrared (FTIR) spectrometer, tunable Difference Frequency Generation laser and fixed wavelength helium-neon laser. The studied species are methane, methanol, acetylene, ethylene, ethane, ethanol, propylene, propane, 1-butene, n-butane, n-pentane, n-hexane, and n-heptane. The Fourier Transform Infrared (FTIR) spectrometer is used for the measurements of the absorption cross-sections and the integrated band intensities of the 13 hydrocarbons. The spectral region of the spectra is 2800 – 3400 cm-1 (2.9 – 3.6 μm) and the temperature range is 673 – 1100 K. These valuable data provide huge opportunities to select interference-free wavelengths for measuring time-histories of a specific species in a shock tube or other combustion systems. Such measurements can allow developing/improving chemical kinetics mechanisms by experimentally determining reaction rates. The Difference Frequency Generation (DFG) laser is a narrow line-width, tunable laser in the 3.35 – 3.53 μm wavelength region which contains strong absorption features for most hydrocarbons due to the fundamental C-H vibrating stretch. The absorption cross-sections of propylene are measured at seven different wavelengths using the DFG laser. The temperature range is 296 – 460 K which is reached using a Reflex Cell. The DFG laser is very attractive for kinetic studies in the shock tube because of its fast time response and the potential possibility of making species-specific measurements. The Fixed wavelength

  2. Hydrocarbon degradation potential in reference soils and soils contaminated with jet fuel

    International Nuclear Information System (INIS)

    Lee, R.F.; Hoeppel, R.

    1991-01-01

    Petroleum degradation in surface and subsurface soils is affected by such factors as moisture content, pH, soil type, soil organics, temperature, and oxygen concentrations. In this paper, the authors determine the degradation rates of 14 C-labeled hydrocarbons added to soils collected from a contaminated surface site, contaminated subsurface sites, and a clean reference site. The radiolabeled hydrocarbons used include benzene, toluene, naphthalene, 1-methynaphthalene, phenanthrene, fluorene, anthracene, chrysene, and hexadecane. Microbial degradation rates were based on determination of mineralization rates (production of 14 CO 2 ) of hydrocarbons that were added to soil samples. Since water was added and oxygen was not limiting, the hydrocarbon rates determined are likely to be higher than those occurring in situ. Using radiolabeled hydrocarbons, information can be provided on differences in the degradation rates of various petroleum compounds in different types of soils at a site, on possible production of petroleum metabolites in the soil, and on the importance of anaerobic petroleum degradation and the effects of nutrient, water, and surfactant addition on biodegradation rates

  3. THE SDSS-III APOGEE SPECTRAL LINE LIST FOR H-BAND SPECTROSCOPY

    Energy Technology Data Exchange (ETDEWEB)

    Shetrone, M. [University of Texas at Austin, McDonald Observatory (United States); Bizyaev, D.; Chojnowski, D. [Apache Point Observatory and New Mexico State University, P.O. Box 59, Sunspot, NM, 88349-0059 (United States); Lawler, J. E. [Department of Physics, University of Wisconsin-Madison, 1150 University Avenue, Madison, WI 53706 (United States); Prieto, C. Allende; Zamora, O.; García-Hernández, D. A.; Souto, D. [Instituto de Astrofísica de Canarias, Calle Vía Lactea s/n, E-38205 La Laguna, Tenerife (Spain); Johnson, J. A. [Department of Astronomy, The Ohio State University, Columbus, OH 43210 (United States); Smith, V. V. [National Optical Astronomy Observatory, 950 North Cherry Avenue, Tucson, AZ 85719 (United States); Cunha, K. [Observatório Nacional, Rua General Jose Cristino, 77, 20921-400 São Cristóvão, Rio de Janeiro, RJ (Brazil); Holtzman, J. [Department of Astronomy, New Mexico State University, Las Cruces, NM 88003 (United States); Pérez, A. E. García; Sobeck, J.; Majewski, S. [Department of Astronomy, University of Virginia, P.O. Box 400325, Charlottesville, VA 22904-4325 (United States); Mészáros, Sz. [ELTE Gothard Astrophysical Observatory, H-9704 Szombathely, Szent Imre herceg st. 112 (Hungary); Koesterke, L. [The University of Texas at Austin, Texas Advanced Computing Center (United States); Zasowski, G. [Department of Physics and Astronomy, Johns Hopkins University, Baltimore, MD 21218 (United States)

    2015-12-15

    We present the H-band spectral line lists adopted by the Apache Point Observatory Galactic Evolution Experiment (APOGEE). The APOGEE line lists comprise astrophysical, theoretical, and laboratory sources from the literature, as well as newly evaluated astrophysical oscillator strengths and damping parameters. We discuss the construction of the APOGEE line list, which is one of the critical inputs for the APOGEE Stellar Parameters and Chemical Abundances Pipeline, and present three different versions that have been used at various stages of the project. The methodology for the newly calculated astrophysical line lists is reviewed. The largest of these three line lists contains 134,457 molecular and atomic transitions. In addition to the format adopted to store the data, the line lists are available in MOOG, Synspec, and Turbospectrum formats. The limitations of the line lists along with guidance for its use on different spectral types are discussed. We also present a list of H-band spectral features that are either poorly represented or completely missing in our line list. This list is based on the average of a large number of spectral fit residuals for APOGEE observations spanning a wide range of stellar parameters.

  4. SRTM mission-cross comparison of X adn C band data properties

    Science.gov (United States)

    Rosen, P.; Eineder, M.; Rabus, B.; Gurrola, E.; Hensley, S.; Knopfle, W.; Breit, H.; Roth, A.; Werner, M.

    2001-01-01

    This paper compares the specific properties of the X and C band data sets with respect to global coverage, height accuracy, sensor specific errors, product definition, product format and availability.

  5. Experimental and Theoretical Studies of the Factors Affecting the Cycloplatination of the Chiral Ferrocenylaldimine (SC-[(η5-C5H5Fe{(η5-C5H4–C(H=N–CH(Me(C6H5}

    Directory of Open Access Journals (Sweden)

    Concepción López

    2014-11-01

    Full Text Available The study of the reactivity of the enantiopure ferrocenyl Schiff base (SC-[FcCH=N–CH(Me(C6H5] (1 (Fc = (η5-C5H5Fe(η5-C5H4 with cis-[PtCl2(dmso2] under different experimental conditions is reported. Four different types of chiral Pt(II have been isolated and characterized. One of them is the enantiomerically pure trans-(SC-[Pt{κ1-N[FcCH=N–CH(Me(C6H5]}Cl2(dmso] (2a in which the imine acts as a neutral N-donor ligand; while the other three are the cycloplatinated complexes: [Pt{κ2-C,N [(C6H4–N=CHFc]}Cl(dmso] (7a and the two diastereomers {(Sp,SC and (Rp,SC} of [Pt{κ2-C,N[(η5-C5H3–CH=N–{CH(Me(C6H5}]Fe(η5-C5H5}Cl(dmso] (8a and 9a, respectively. Isomers 7a-9a, differ in the nature of the metallated carbon atom [CPh (in 7a or CFc (in 8a and 9a] or the planar chirality of the 1,2-disubstituted ferrocenyl unit (8a and 9a. Reactions of 7a–9a with PPh3 gave [Pt{κ2-C,N[(C6H4–N=CHFc]}Cl(PPh3] (in 7b and the diastereomers (Sp,SC and (Rp,SC of [Pt{κ2-C,N[(η5-C5H3–CH=N–{CH(Me(C6H5}] Fe(η5-C5H5}Cl(PPh3] (8b and 9b, respectively. Comparative studies of the electrochemical properties and cytotoxic activities on MCF7 and MDA-MB231 breast cancer cell lines of 2a and cycloplatinated complexes 7b-9b are also reported. Theoretical studies based on DFT calculations have also been carried out in order to rationalize the results obtained from the cycloplatination of 1, the stability of the Pt(II complexes and their electrochemical properties.

  6. New Accurate Wavenumbers of H35Cl^+ and H37Cl^+ Rovibrational Transitions in the v=0-1 Band of the ^2Π State.

    Science.gov (United States)

    Domenech, Jose Luis; Cueto, Maite; Herrero, Victor Jose; Tanarro, Isabel; Cernicharo, Jose; Drouin, Brian

    2015-06-01

    HCl^+ is a key intermediate in the interstellar chemistry of chlorine. It has been recently identified in space from Herschel's spectra and it has also been detected in the laboratory through its optical emission, infrared and mm-wave spectra. Now that Hershchel is decomissioned, further astrophysical studies on this radical ion will likely rely on ground-based observations in the mid-infrared. We have used a difference frequency laser spectrometer coupled to a hollow cathode discharge to measure the absorption spectrum of H35Cl^+ and H37Cl^+ in the v=0-1 band of the ^2Π state with Dopppler limited resolution. The accuracy of the individual measurements (˜ 10 MHz (3σ)) relies on a solid state wavemeter referenced to an iodine-stabilized Ar^+ laser. The new data are being fit using the CALPGM software from JPL, and the current status will be presented. M. De Luca et al., Astrophys. J. Lett. 751, L37 (2012) W. D. Sheasley and C. W. Mathews, J. Mol. Spectrosc. 47, 420 (1973) P. B. Davies, P. A. Hamilton, B. A. Johnson, Mol. Phys. 57, 217 (1986) H. Gupta, B. J. Drouin, and J. C. Pearson, Astrophys. J. Lett. 751, L37 (2012)

  7. Doped Sc2C(OH)2 MXene: new type s-pd band inversion topological insulator.

    Science.gov (United States)

    Balcı, Erdem; Akkuş, Ünal Özden; Berber, Savas

    2018-04-18

    The electronic structures of Si and Ge substitutionally doped Sc 2 C(OH) 2 MXene monolayers are investigated in density functional theory. The doped systems exhibit band inversion, and are found to be topological invariants in Z 2 theory. The inclusion of spin orbit coupling results in band gap openings. Our results point out that the Si and Ge doped Sc 2 C(OH) 2 MXene monolayers are topological insulators. The band inversion is observed to have a new mechanism that involves s and pd states.

  8. Doped Sc2C(OH)2 MXene: new type s-pd band inversion topological insulator

    Science.gov (United States)

    Balcı, Erdem; Özden Akkuş, Ünal; Berber, Savas

    2018-04-01

    The electronic structures of Si and Ge substitutionally doped Sc2C(OH)2 MXene monolayers are investigated in density functional theory. The doped systems exhibit band inversion, and are found to be topological invariants in Z 2 theory. The inclusion of spin orbit coupling results in band gap openings. Our results point out that the Si and Ge doped Sc2C(OH)2 MXene monolayers are topological insulators. The band inversion is observed to have a new mechanism that involves s and pd states.

  9. Bi-reforming of methane from any source with steam and carbon dioxide exclusively to metgas (CO-2H2) for methanol and hydrocarbon synthesis.

    Science.gov (United States)

    Olah, George A; Goeppert, Alain; Czaun, Miklos; Prakash, G K Surya

    2013-01-16

    A catalyst based on nickel oxide on magnesium oxide (NiO/MgO) thermally activated under hydrogen is effective for the bi-reforming with steam and CO(2) (combined steam and dry reforming) of methane as well as natural gas in a tubular flow reactor at elevated pressures (5-30 atm) and temperatures (800-950 °C). By adjusting the CO(2)-to-steam ratio in the gas feed, the H(2)/CO ratio in the produced syn-gas could be easily adjusted in a single step to the desired value of 2 for methanol and hydrocarbon synthesis.

  10. F/Cl + C2H2 reactions: Are the addition and hydrogen abstraction direct processes?

    International Nuclear Information System (INIS)

    Li Jilai; Geng Caiyun; Huang Xuri; Zhan Jinhui; Sun Chiachung

    2006-01-01

    The reactions of atomic radical F and Cl with acetylene have been studied theoretically using ab initio quantum chemistry methods and transition state theory. The doublet potential energy surfaces were calculated at the CCSD(T)/aug-cc-pVDZ//CCSD/6-31G(d,p), CCSD(T)/aug-cc-pVDZ//UMP2/6-311++G(d,p) and compound method Gaussian-3 levels. Two reaction mechanisms including the addition-elimination and the hydrogen abstraction reaction mechanisms are considered. In the addition-elimination reactions, the halogen atoms approach C 2 H 2 , perpendicular to the C≡C triple bond, forming the pre-reactive complex C1 at the reaction entrance. C1 transforms to intermediate isomer I1 via transition state TSC1/1 with a negative/small barrier for C 2 H 2 F/C 2 H 2 Cl system, which can proceed by further eliminating H atom endothermally. While the hydrogen abstraction reactions also involve C1 for the fluorine atom abstraction of hydrogen, yet the hydrogen abstraction by chlorine atom first forms a collinear hydrogen-bonded complex C2. The other reaction pathways on the doublet PES are less competitive due to thermodynamical or kinetic factors. According to our results, the presence of pre-reactive complexes indicates that the simple hydrogen abstraction and addition in the halogen atoms reaction with unsaturated hydrocarbon should be more complex. Furthermore, based on the analysis of the kinetics of all channels through which the addition and abstraction reactions proceed, we expect that the actual feasibility of the reaction channels may depend on the reaction conditions in the experiment. The present study may be helpful for probing the mechanisms of the title reactions and understanding the halogen chemistry

  11. Evaluation of the Removal of Hydrocarbons from Soil Media Using Persulfate Oxidation in the Presence of Mineral Siderite

    Directory of Open Access Journals (Sweden)

    Farzad Mohammadi

    2016-09-01

    Full Text Available Introduction and purpose: Soil contamination by petroleum is mostly resulted from oil exploration, refining processes, leaking of oil products from storage tanks, leaking from pipelines due to pipe friction and decay, refinery wastewater discharge and agricultural irrigation with such materials. Sodium persulfate (Na2S2O8, which is a chemical oxidant, could be activated in the presence of ferrous (Fe2+ and, leading to the treatment of a wide range of soil contaminants. Therefore, this study aimed to evaluate the removal of hydrocarbons from soil media using persulfate oxidation in the presence of mineral siderite. Methods: Initially, oil-contaminated soil was prepared in the form of two separate samples, including silt-clay and sandy-loam soils, which were orderly spiked with 5000 mg fuel oil per kilogram of dry soil. Following that, the effects of various factors, such as different concentrations of persulfate (100-500 mmol/L and siderite (0.1-0.5 g/L, pH (3-9 and temperature (20-60◦C and the removal of petroleum hydrocarbon were assessed.Results: In this study, the optimum condition for degeneration of total petroleum hydrocarbon in silt-clay soils was reported, as follows: temperature: 60◦C, pH: 3, and persulfate/siderite molar ratio of 400 mmol/L to 4.0 g/L. Meanwhile, the optimum condition for the removal of hydrocarbon from sandy-loam soils was pH: 3, temperature: 60◦C and persulfate/siderite molar ratio of 300 mmol/L to 3.0 g/L.Conclusion: According to the results of this study, the optimal amount of persulfate and siderite could be used to remove hydrocarbons from contaminated soils.

  12. Palladium Catalyzed Allylic C-H Alkylation

    DEFF Research Database (Denmark)

    Engelin, Casper Junker; Fristrup, Peter

    2011-01-01

    are highlighted with emphasis on those leading to C-C bond formation, but where it was deemed necessary for the general understanding of the process closely related C-H oxidations and aminations are also included. It is found that C-H cleavage is most likely achieved by ligand participation which could involve......-H alkylation reaction which is the topic of the current review. Particular emphasis is put on current mechanistic proposals for the three reaction types comprising the overall transformation: C-H activation, nucleophillic addition, and re-oxidation of the active catalyst. Recent advances in C-H bond activation...... an acetate ion coordinated to Pd. Several of the reported systems rely on benzoquinone for re-oxidation of the active catalyst. The scope for nucleophilic addition in allylic C-H alkylation is currently limited, due to demands on pKa of the nucleophile. This limitation could be due to the pH dependence...

  13. Purifying hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Rostin, H

    1938-08-11

    A process is described for continuously purifying hydrocarbon oils consisting in conducting the vapors of the same at a temperature of 300 to 400/sup 0/C over the oelitic ore minette together with reducing gases in presence of steam the proportion of the reducing gases and steam being such that the sulfur of the hydrocarbons escapes from the reaction chamber in the form of sulfuretted hydrogen without permanent sulfide of iron being formed.

  14. Plasma conversion of methane into higher hydrocarbons at surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sackinger, W.M.; Kamath, V.A. [Univ. of Alaska, Fairbanks, AK (United States)

    1995-12-31

    Natural gas is widely abundant, is easily withdrawn from reservoirs, is commonly produced as an associated gas along with crude oil production, and is found in many geologic settings as a resource separate from oil. A much larger fraction of the natural gas may be produced from a gas reservoir, as compared with a crude oil reservoir. However, natural gas is normally transported by pipeline, and the energy throughput of such a pipeline is perhaps only 20% to 30% of the throughput of an oil pipeline of the same size and cost. Gas is difficult to transport in moderate quantities at low cost, as it must either have a special pipeline or must be liquified into LNG, shipped in cryogenic LNG tankers, and regasified chemical stability of methane has made it difficult to convert it directly into conventional hydrocarbon fuel mixtures, and has also impeded its use as a feedstock for petrochemical production. Experiments are described in which a methane plasma is created, and the resulting methyl and hydrogen ions have been accelerated within a microchannel array so that they interact with neutral methane molecules on the inside surfaces of the microchannels. No catalysts are used, and the device operates at room temperature. Impact energies of the ions are in the range of 15 ev to greater than 100 ev, and the energy delivered in the interaction at the surfaces has caused the production of larger hydrocarbon molecules, such as C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}, along with C{sub 3}, C{sub 4}, C{sub 5}, C{sub 6}, C{sub 7}, and C{sub 8} molecules. Conversion effectiveness is greater at higher pressure, due to the increased ionic activity. The costs of production of the plasma conversion devices are projected to be quite low, and the technology appears to be commercially and economically feasible.

  15. A compact O-plus C-band switchable quad-wavelength fiber laser using arrayed waveguide grating

    International Nuclear Information System (INIS)

    Latif, A A; Zulkifli, M Z; Hassan, N A; Ahmad, H; Harun, S W; Ghani, Z A

    2010-01-01

    In this paper, a design of a quad-wavelength fiber laser (QWFL) operating in two different regions namely the O-band covering from 1302 nm to1317.4 nm and C-band from 1530.5 nm to 1548.0 nm is presented. Two different ASE sources from semiconductor optical amplifiers (SOAs) are used, one at 1310 nm and the other at1550 nm. By using a 1×24 channels arrayed waveguide grating (AWG) with 100 GHz interchannel spacing, the system is capable of generating 24 different wavelengths in more than 24 ways of quad-wavelength fiber laser with 0.6 nm and 0.8 nm of interval channel for O-band and C-band regions, respectively

  16. Catalysts for the production of hydrocarbons from carbon monoxide and water

    Science.gov (United States)

    Sapienza, R.S.; Slegeir, W.A.; Goldberg, R.I.

    1985-11-06

    A method of converting low H/sub 2//CO ratio syngas to carbonaceous products comprising reacting the syngas with water or steam at 200 to 350/sup 0/C in the presence of a metal catalyst supported on zinc oxide. Hydrocarbons are produced with a catalyst selected from cobalt, nickel or ruthenium and alcohols are produced with a catalyst selected from palladium, platinum, ruthenium or copper on the zinc oxide support. The ratio of the reactants are such that for alcohols and saturated hydrocarbons: (2n + 1) greater than or equal to x greater than or equal to O and for olefinic hydrocarbons: 2n greater than or equal to x greater than or equal to O where n is the number of carbon atoms in the product and x is the molar amount of water in the reaction mixture.

  17. Retrieving hurricane wind speeds using cross-polarization C-band measurements

    NARCIS (Netherlands)

    Van Zadelhoff, G.J.; Stoffelen, A.; Vachon, P.W.; Wolfe, J.; Horstmann, J.; Belmonte Rivas, M.

    2014-01-01

    Hurricane-force wind speeds can have a large societal impact and in this paper microwave C-band cross-polarized (VH) signals are investigated to assess if they can be used to derive extreme wind-speed conditions. European satellite scatterometers have excellent hurricane penetration capability at

  18. Flow-through Fourier transform infrared sensor for total hydrocarbons determination in water.

    Science.gov (United States)

    Pérez-Palacios, David; Armenta, Sergio; Lendl, Bernhard

    2009-09-01

    A new flow-through Fourier transform infrared (FT-IR) sensor for oil in water analysis based on solid-phase spectroscopy on octadecyl (C18) silica particles has been developed. The C18 non-polar sorbent is placed inside the sensor and is able to retain hydrocarbons from water samples. The system does not require the use of chlorinated solvents, reducing the environmental impact, and the minimal sample handling stages serve to ensure sample integrity whilst reducing exposure of the analyst to any toxic hydrocarbons present within the samples. Fourier transform infrared (FT-IR) spectra were recorded by co-adding 32 scans at a resolution of 4 cm(-1) and the band located at 1462 cm(-1) due to the CH(2) bending was integrated from 1475 to 1450 cm(-1) using a baseline correction established between 1485 and 1440 cm(-1) using the areas as analytical signal. The technique, which provides a limit of detection (LOD) of 22 mg L(-1) and a precision expressed as relative standard deviation (RSD) lower than 5%, is considerably rapid and allows for a high level of automation.

  19. Effect of the CO2/SiH4 Ratio in the p-μc-SiO:H Emitter Layer on the Performance of Crystalline Silicon Heterojunction Solar Cells

    Directory of Open Access Journals (Sweden)

    Jaran Sritharathikhun

    2014-01-01

    Full Text Available This paper reports the preparation of wide gap p-type hydrogenated microcrystalline silicon oxide (p-μc-SiO:H films using a 40 MHz very high frequency plasma enhanced chemical vapor deposition technique. The reported work focused on the effects of the CO2/SiH4 ratio on the properties of p-μc-SiO:H films and the effectiveness of the films as an emitter layer of crystalline silicon heterojunction (c-Si-HJ solar cells. A p-μc-SiO:H film with a wide optical band gap (E04, 2.1 eV, can be obtained by increasing the CO2/SiH4 ratio; however, the tradeoff between E04 and dark conductivity must be considered. The CO2/SiH4 ratio of the p-μc-SiO:H emitter layer also significantly affects the performance of the solar cells. Compared to the cell using p-μc-Si:H (CO2/SiH4 = 0, the cell with the p-μc-SiO:H emitter layer performs more efficiently. We have achieved the highest efficiency of 18.3% with an open-circuit voltage (Voc of 692 mV from the cell using the p-μc-SiO:H layer. The enhancement in the Voc and the efficiency of the solar cells verified the potential of the p-μc-SiO:H films for use as the emitter layer in c-Si-HJ solar cells.

  20. Formation of Nitriles in the Interstellar Medium via Reactions of Cyano Radicals, CN(X2Σ+), with Unsaturated Hydrocarbons

    Science.gov (United States)

    Balucani, N.; Asvany, O.; Huang, L. C. L.; Lee, Y. T.; Kaiser, R. I.; Osamura, Y.; Bettinger, H. F.

    2000-12-01

    Crossed molecular beam experiments of cyano radicals, CN(X2Σ+, ν=0), in their electronic and vibrational ground state reacting with unsaturated hydrocarbons acetylene, C2H2(X1Σ+g), ethylene, C2H4(X1Ag), methylacetylene, CH3CCH(X1A1), allene, H2CCCH2(X1A1), dimethylacetylene, CH3CCCH3(X1A1'), and benzene, C6H6 (X1A1g), were performed at relative collision energies between 13.3 and 36.4 kJ mol-1 to unravel the formation of unsaturated nitriles in the outflows of late-type AGB carbon stars and molecular clouds. In all reactions, the CN radical was found to attack the π electron density of the hydrocarbon molecule with the radical center located at the carbon atom; the formation of an initial addition complex is a prevalent pathway on all the involved potential energy surfaces. A subsequent carbon-hydrogen bond rupture yields the nitriles cyanoacetylene, HCCCN (X1Σ+), vinylcyanide, C2H3CN (X1A'), 1-methylcyanoacetylene, CH3CCCN (X1A1), cyanoallene, H2CCCH(CN) (X1A'), 3-methylcyanoacetylene, HCCCH2CN(X1A'), 1,1-cyanomethylallene, H2CCC(CN)(CH3) (X1A'), and cyanobenzene, C6H5CN (X1A1). In case of acetylene and ethylene, a second reaction channel involves a [1, 2]-H atom shift in the initial HCCHCN and H2CCH2CN collision complexes prior to a hydrogen atom release to form cyanoacetylene, HCCCN (X1Σ+), and vinylcyanide, C2H3CN (X1A'). Since all these radical-neutral reactions show no entrance barriers, have exit barriers well below the energy of the reactant molecules, and are exothermic, the explicit identification of this CN versus H atom exchange pathway under single collision conditions makes this reaction class a compelling candidate to synthesize unsaturated nitriles in interstellar environments holding temperatures as low as 10 K. This general concept makes it even feasible to predict the formation of nitriles once the corresponding unsaturated hydrocarbons are identified in the interstellar medium. Here HCCCN, C2H3CN, and CH3CCCN have been already observed

  1. The 12C/ 13C isotopic ratio in Titan hydrocarbons from Cassini/CIRS infrared spectra

    Science.gov (United States)

    Nixon, C. A.; Achterberg, R. K.; Vinatier, S.; Bézard, B.; Coustenis, A.; Irwin, P. G. J.; Teanby, N. A.; de Kok, R.; Romani, P. N.; Jennings, D. E.; Bjoraker, G. L.; Flasar, F. M.

    2008-06-01

    We have analyzed infrared spectra of Titan recorded by the Cassini Composite Infrared Spectrometer (CIRS) to measure the isotopic ratio 12C/ 13C in each of three chemical species in Titan's stratosphere: CH 4, C 2H 2 and C 2H 6. This is the first measurement of 12C/ 13C in any C 2 molecule on Titan, and the first measurement of 12CH 4/ 13CH 4 (non-deuterated) on Titan by remote sensing. Our spectra cover five widely-spaced latitudes, 65° S to 71° N and we have searched for both latitude variability of 12C/ 13C within a given species, and also for differences between the 12C/ 13C in the three gases. For CH 4 alone, we find C12/C13=76.6±2.7 (1- σ), essentially in agreement with the 12CH 4/ 13CH 4 measured by the Huygens Gas Chromatograph/Mass Spectrometer instrument (GCMS) [Niemann, H.B., and 17 colleagues, 2005. Nature 438, 779-784]: 82.3±1.0, and also with measured values in H 13CN and 13CH 3D by CIRS at lower precision [Bézard, B., Nixon, C., Kleiner, I., Jennings, D., 2007. Icarus 191, 397-400; Vinatier, S., Bézard, B., Nixon, C., 2007. Icarus 191, 712-721]. For the C 2 species, we find C12/C13=84.8±3.2 in C 2H 2 and 89.8±7.3 in C 2H 6, a possible trend of increasingly value with molecular mass, although these values are both compatible with the Huygens GCMS value to within error bars. There are no convincing trends in latitude. Combining all fifteen measurements, we obtain a value of C12/C13=80.8±2.0, also compatible with GCMS. Therefore, the evidence is mounting that 12C/ 13C is some 8% lower on Titan than on the Earth (88.9, inorganic standard), and lower than typical for the outer planets ( 88±7 [Sada, P.V., McCabe, G.H., Bjoraker, G.L., Jennings, D.E., Reuter, D.C., 1996. Astrophys. J. 472, 903-907]). There is no current model for this enrichment, and we discuss several mechanisms that may be at work.

  2. Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); Gong, Yun, E-mail: gongyun7211@cqu.edu.cn [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); Lin, Jianhua, E-mail: jhlin@pku.edu.cn [Department of Applied Chemistry, College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400030 (China); State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China)

    2016-05-15

    4-(4-oxopyridin-1(4 H)-yl)phthalic acid (H{sub 2}L) and three H{sub 2}L-based metal-organic frameworks (MOFs) formulated as ZnL(DPE)(H{sub 2}O)·H{sub 2}O (DPE=(E)-1, 2-di(pyridine −4-yl)ethene) (1), CdL(H{sub 2}O){sub 2} (2) and CdL (3) were synthesized and structurally characterized by single-crystal X-ray diffraction. The free H{sub 2}L ligand shows an enol-form and the L{sup 2−} ligand in the three MOFs exists as the keto-form. Density functional theory (DFT) calculations indicate H{sub 2}L and the three MOFs possess different band structures. Due to the existence of the N-donor, DPE in MOF 1, the conduction band (CB) minimum and band gap of MOF 1 are much lower than those of H{sub 2}L. And MOF 1 yielded much larger photocurrent density than H{sub 2}L upon visible light illumination. Electrochemical impedance spectroscopy (EIS) shows the interfacial charge transfer impedance in the presence of MOF 1 is lower than that in the presence of H{sub 2}L. The hydrous MOF 2 and the anhydrous MOF 3 are both constructed by Cd(II) and L{sup 2−}, and they can be reversibly transformed to each other. However, MOFs 2 and 3 possess different CB minimums and VB maximums, and their band gaps are much larger than that of MOF 1. - Graphical abstract: The free ligand, 4-(4-oxopyridin-1(4H)-yl)phthalic acid (H{sub 2}L) shows different configuration from its three MOFs, and they possess different band structures. MOF 1 yielded much larger visible-light-driven photocurrent density than H{sub 2}L. The hydrous MOF 2 and the anhydrous MOF 3 can be transformed to each other, and they have larger band gaps than MOF 1.

  3. Upgrading of syngas hydrotreated fractionated oxidized bio-oil to transportation grade hydrocarbons

    International Nuclear Information System (INIS)

    Luo, Yan; Hassan, El Barbary; Guda, Vamshi; Wijayapala, Rangana; Steele, Philip H.

    2016-01-01

    Highlights: • Hydrotreating of fractionated oxidized bio-oil with syngas was feasible. • Hydrocarbon properties were similar with all syngas H_2/CO molar ratios except viscosity. • Syngas with H_2/CO molar ratio of (4:6) produced the highest hydrocarbon yield. • The produced hydrocarbons were in the range of gasoline, jet fuel and diesel boiling points. - Abstract: Fast pyrolysis bio-oils have the potential to replace a part of transportation fuels obtained from fossil. Bio-oil can be successfully upgraded into stable hydrocarbons (gasoline, jet fuel and diesel) through a two-stage hydrodeoxygenation process. Consumption large amount of expensive hydrogen during this process is the major hurdle for commercialization of this technology. Applying syngas in the hydrotreating step can significantly reduce the cost of the whole process and make it competitive. In this study, four different models of syngas with different H_2 concentrations (H_2/CO molar ratios = 2:8, 4:6, 6:4 and 8:2) were used for the 1st-stage hydrotreating step of oxidized fractionated bio-oil (OFB). The 2nd-stage hydrocracking step was performed on the produced organic liquid products (OLPs) by using pure H_2 gas. The effect of syngas H_2 concentrations on the yields and properties of OLPs and the 2nd-stage hydrocarbons (HCs) was investigated. Physical and chemical properties of the 2nd-stage hydrocarbons were similar regardless syngas H_2 content, with the exception of the viscosity. Syngas with H_2/CO molar ratio of 4:6 gave significantly highest HCs yield (24.8 wt.%) based on the OFB. Simulated distillation analysis proved that all 2nd-stage hydrocarbons were mixture from a wide range boiling point fuels. These results also indicated that the successful 1st-stage syngas hydrotreating step was having the potential to produce different hydrocarbons.

  4. Identification and Characterisation of Major Hydrocarbons in ...

    African Journals Online (AJOL)

    Identification and Characterisation of Major Hydrocarbons in Thermally Degraded Low Density Polyethylene Films. ... There were alkanes, alkenes, halogenated alkanes, and very few aromatics in the liquid product and, the hydrocarbons were observed to range between C10 - C27. The FTIR and GC-MS results show the ...

  5. a-SixC1−x:H thin films with subnanometer surface roughness for biological applications

    International Nuclear Information System (INIS)

    Herrera-Celis, José; Reyes-Betanzo, Claudia; Itzmoyotl-Toxqui, Adrián; Orduña-Díaz, Abdu; Pérez-Coyotl, Ana

    2015-01-01

    The characterization of a-Si x C 1−x :H thin films by plasma-enhanced chemical vapor deposition with high hydrogen dilution for biological applications is addressed. A root mean square roughness less than 1 nm was measured via atomic force microscopy for an area of 25 μm 2 . Structural analysis was done using Fourier transform infrared spectroscopy in the middle infrared region. It was found that under the deposition conditions, the formation of Si–C bonds is promoted. Electrical dark conductivity measurements were performed to evaluate the effect of high hydrogen dilution and to find the relation between carrier transport properties and the structural arrangement. Conductivities of the order of 10 −7 to 10 −9 S/cm at room temperature for methane–silane gas flow ratio from 0.35 to 0.85 were achieved, respectively. UV-visible spectra were used to obtain the optical band gap and the Tauc parameter. Optical band gap as wide as 3.55 eV was achieved in the regime of high carbon incorporation. Accordingly, deposition under low power density and high hydrogen dilution reduces the roughness, improves the structure of the network, and stabilizes the film properties as a greater percentage of carbon is incorporated. The biofunctionalization of a-Si x C 1−x :H surfaces with NH 2 -terminated self-assembled monolayers was obtained through silanization with 3-aminopropyltrimethoxysilane. This knowledge opens a window for the inclusion of these a-Si x C 1−x :H thin films in devices such as biosensors

  6. Thermodynamic properties of hydrated cement phases: C-S-H, C-A-S-H and M-S-H

    International Nuclear Information System (INIS)

    Roosz, Cedric

    2016-01-01

    Concrete is one of the most widely used building materials in the world. Durability, mechanical and chemical properties have made it a material of choice in storage concepts proposed by the French National Agency for Radioactive Waste Management (Andra), including the achievement of retaining structures, cell plugs, massive supports or conditioning waste. The study of the stability of the constituent phases of cementitious materials is needed in view of the planned quantities and the durability of the structures, and must consider (i) temperature ranges suitable for cement matrices containment in contact with exothermic waste (25-80 deg. C), and (ii) a representative time scale of the lifetime of the storage. The Andra ThermoChimie project therefore aims to develop a consistent thermodynamic database, to model the chemical evolution of cement materials in the environment of radioactive waste. However, in the present state, the database offers only thermodynamic data of cementitious crystalline phases, as well as a limited data set of three different chemical compositions for nano-crystalline C-S-H. This does not allow to reproduce the degradation of cementitious materials, or model the degradation of the new formulations, such as 'Low pH' concretes. The objective is therefore to acquire a thermodynamic complementary data set on phases such as C-S-H (Calcium Silicate Hydrates) C-A-S-H (Calcium Aluminate Silicate Hydrates) and M-S-H (Magnesium Silicate Hydrates), to complete the ThermoChimie database. This study is based on experimental, analytical and digital work, in order to obtain a set of thermodynamic data (Δ f G 0 , Δ f H 0 , Cp(T), S 0 ) sufficiently representative of the chemical variability of these phases. Finally, this set of data allows the development of a thermodynamic predictive model in extended spaces of compositions and temperatures. Development of this predictive model requires (i) The acquisition of thermodynamic properties on

  7. C-band main linac rf system for e+e- linear collider of 0.5 to 1.0 TeV C.M. energy

    International Nuclear Information System (INIS)

    Shintake, T.; Akasaka, N.; Kubo, K.; Matsumoto, H.; Matsumoto, S.; Takeda, Shigeru; Oide, K.; Yokoya, K.; Pearce, P.; Lee, H.S.; Cho, M.H.; Watanabe, K.; Takeda, Osamu; Baba, H.

    1996-01-01

    A hardware R and D for the C-band (5712 MHz) rf system for a linear collider started in 1996 at KEK. An accelerating gradient of 32 MV/m (including beam loading) will be generated by 50 MW C-band klystrons in combination with an rf-compression system. The klystron and its power supply can be fabricated by conventional technology. The straightness tolerance for the accelerating structures is 30 μm, which is also achievable with conventional fabrication processes. No critical new technology is required in a C-band system. Therefore, a reliable system can be constructed at low cost with a minimum of R and D studies. The first high-power test is scheduled for 1997. (author)

  8. Experimental (FT-IR, FT-Raman, 1H, 13C NMR) and theoretical study of alkali metal 2-aminobenzoates

    Science.gov (United States)

    Samsonowicz, M.; Świsłocka, R.; Regulska, E.; Lewandowski, W.

    2008-09-01

    The influence of lithium, sodium, potassium, rubidium and cesium on the electronic system of the 2-aminobenzoic acid was studied by the methods of molecular spectroscopy. The vibrational (FT-IR, FT-Raman) and NMR ( 1H and 13C) spectra for 2-aminobenzoic acid and its alkali metal salts were recorded. The assignment of vibrational spectra was done on the basis of literature data, theoretical calculations and our previous experience. Characteristic shifts of bands and changes in intensities of bands along the metal series were observed. The changes of chemical shifts of protons ( 1H NMR) and carbons ( 13C NMR) in the series of studied alkali metal 2-aminobenzoates were observed too. Optimized geometrical structures of studied compounds were calculated by B3LYP method using 6-311++G ∗∗ basis set. Geometric aromaticity indices, dipole moments and energies were also calculated. The theoretical wavenumbers and intensities of IR and Raman spectra were obtained. The calculated parameters were compared to experimental characteristic of studied compounds.

  9. Production of hydrogen from hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Lohmueller, R

    1984-03-01

    Hydrocarbons are the preferred starting materials for the industrial production of hydrogen. Most hydrogen is produced by steam reforming of light hydrocarbons. Partial oxidation of heavy oil and residue is used for the production of H/sub 2/ and synthesis gas in large plants. In both cases gas purification was improved. Hydrogen-rich gases like coke oven gas, refinery-offgas, and offgases from the chemical and petrochemical industry have high potential for becoming a major source of hydrogen. Processes for recovering H/sub 2/ (and by-products) are condensation and rectification at low temperatures and, most attractive and versatile for the production of very pure H/sub 2/, adsorption (PSA). The environmental impact of H/sub 2/ production lies mainly in the emission of CO/sub 2/ and heat. Other forms of pollution can be considerably reduced by conventional methods. The economy of H/sub 2/ production depends essentially on price and availability of the raw materials.

  10. Electrochemical Cobalt-Catalyzed C-H Activation.

    Science.gov (United States)

    Sauermann, Nicolas; Meyer, Tjark H; Ackermann, Lutz

    2018-06-19

    Carbon-heteroatom bonds represent omnipresent structural motifs of the vast majority of functionalized materials and bioactive compounds. C-H activation has emerged as arguably the most efficient strategy to construct C-Het bonds. Despite of major advances, these C-H transformations were largely dominated by precious transition metal catalysts, in combination with stoichiometric, toxic metal oxidants. Herein, we discuss the recent evolution of cobalt-catalyzed C-H activations that enable C-Het formations with electricity as the sole sustainable oxidant until May 2018. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Effect of deposition temperature and thermal annealing on the dry etch rate of a-C: H films for the dry etch hard process of semiconductor devices

    International Nuclear Information System (INIS)

    Lee, Seung Moo; Won, Jaihyung; Yim, Soyoung; Park, Se Jun; Choi, Jongsik; Kim, Jeongtae; Lee, Hyeondeok; Byun, Dongjin

    2012-01-01

    The effect of deposition and thermal annealing temperatures on the dry etch rate of a-C:H films was investigated to increase our fundamental understanding of the relationship between thermal annealing and dry etch rate and to obtain a low dry etch rate hard mask. The hydrocarbon contents and hydrogen concentration were decreased with increasing deposition and annealing temperatures. The I(D)/I(G) intensity ratio and extinction coefficient of the a-C:H films were increased with increasing deposition and annealing temperatures because of the increase of sp 2 bonds in the a-C:H films. There was no relationship between the density of the unpaired electrons and the deposition temperature, or between the density of the unpaired electrons and the annealing temperature. However, the thermally annealed a-C:H films had fewer unpaired electrons compared with the as-deposited ones. Transmission electron microscopy analysis showed the absence of any crystallographic change after thermal annealing. The density of the as-deposited films was increased with increasing deposition temperature. The density of the 600 °C annealed a-C:H films deposited under 450 °C was decreased but at 550 °C was increased, and the density of all 800 °C annealed films was increased. The dry etch rate of the as-deposited a-C:H films was negatively correlated with the deposition temperature. The dry etch rate of the 600 °C annealed a-C:H films deposited at 350 °C and 450 °C was faster than that of the as-deposited film and that of the 800 °C annealed a-C:H films deposited at 350 °C and 450 °C was 17% faster than that of the as-deposited film. However, the dry etch rate of the 550 °C deposited a-C:H film was decreased after annealing at 600 °C and 800 °C. The dry etch rate of the as-deposited films was decreased with increasing density but that of the annealed a-C:H films was not. These results indicated that the dry etch rate of a-C:H films for dry etch hard masks can be further decreased by

  12. Production of hydrocarbons, especially ethylene

    Energy Technology Data Exchange (ETDEWEB)

    1952-01-17

    The invention has for its object a process for the production of gaseous nonsaturated hydrocarbons, particularly ethylene and aromatic hydrocarbons, by starting with hydrocarbon oils entirely of paraffinic nature or their fractions, which consists in putting the separated products in contact with solid inert material especially with porous nonmetallic inert material or of heavy metals or their alloys, maybe in a finely divided state or in the form, of pieces or chips, at a temperature above 500/sup 0/C, or better between 600 and 700/sup 0/C at a velocity per hour of 0.6 to 3.0, and preferably 0.75 to 1.5 parts per volume of products per each part of space volume of catalyst.

  13. GAS-PHASE REACTIONS OF POLYCYCLIC AROMATIC HYDROCARBON ANIONS WITH MOLECULES OF INTERSTELLAR RELEVANCE

    International Nuclear Information System (INIS)

    Demarais, Nicholas J.; Yang Zhibo; Martinez, Oscar; Wehres, Nadine; Bierbaum, Veronica M.; Snow, Theodore P.

    2012-01-01

    We have studied reactions of small dehydrogenated polycyclic aromatic hydrocarbon anions with neutral species of interstellar relevance. Reaction rate constants are measured at 300 K for the reactions of phenide (C 6 H – 5 ), naphthalenide (C 10 H – 7 ), and anthracenide (C 14 H – 9 ) with atomic H, H 2 , and D 2 using a flowing afterglow-selected ion flow tube instrument. Reaction rate constants of phenide with neutral molecules (CO, O 2 , CO 2 , N 2 O, C 2 H 2 , CH 3 OH, CH 3 CN, (CH 3 ) 2 CO, CH 3 CHO, CH 3 Cl, and (CH 3 CH 2 ) 2 O) are also measured under the same conditions. Experimental measurements are accompanied by ab initio calculations to provide insight into reaction pathways and enthalpies. Our measured reaction rate constants should prove useful in the modeling of astrophysical environments, particularly when applied to dense regions of the interstellar and circumstellar medium.

  14. Gas-phase Reactions of Polycyclic Aromatic Hydrocarbon Anions with Molecules of Interstellar Relevance

    Science.gov (United States)

    Demarais, Nicholas J.; Yang, Zhibo; Martinez, Oscar; Wehres, Nadine; Snow, Theodore P.; Bierbaum, Veronica M.

    2012-02-01

    We have studied reactions of small dehydrogenated polycyclic aromatic hydrocarbon anions with neutral species of interstellar relevance. Reaction rate constants are measured at 300 K for the reactions of phenide (C6H- 5), naphthalenide (C10H- 7), and anthracenide (C14H- 9) with atomic H, H2, and D2 using a flowing afterglow-selected ion flow tube instrument. Reaction rate constants of phenide with neutral molecules (CO, O2, CO2, N2O, C2H2, CH3OH, CH3CN, (CH3)2CO, CH3CHO, CH3Cl, and (CH3CH2)2O) are also measured under the same conditions. Experimental measurements are accompanied by ab initio calculations to provide insight into reaction pathways and enthalpies. Our measured reaction rate constants should prove useful in the modeling of astrophysical environments, particularly when applied to dense regions of the interstellar and circumstellar medium.

  15. Photodissociation of C3H5Br and C4H7Br at 234 nm

    International Nuclear Information System (INIS)

    Kim, Hyun Kook; Paul, Dababrata; Hong, Ki Ryong; Cho, Ha Na; Kim, Tae Kyu; Lee, Kyoung Seok

    2012-01-01

    The photodissociation dynamics of cyclopropyl bromide (C-3H 5 Br) and cyclobutyl bromide (C 4 H 7 Br) at 234 nm was investigated. A two-dimensional photofragment ion-imaging technique coupled with a [2+1] resonance enhanced multiphoton ionization scheme was utilized to obtain speed and angular distributions of the nascent Br( 2 P 3/2 ) and Br*( 2 P 1/2 ) atoms. The recoil anisotropies for the Br and Br* channels were measured to be βBr = 0.92 ± 0.03 and βBr* = 1.52 ± 0.04 for C 3 H 5 Br and βBr = 1.10 ± 0.03 and βBr* = 1.49 ± 0.05 for C 4 H 7 Br. The relative quantum yield for Br was found to be ΦBr = 0.13 ± 0.03 and for C 3 H 5 Br and C 4 H 7 Br, respectively. The soft radical limit of the impulsive model adequately modeled the related energy partitioning. The nonadiabatic transition probability from the 3A' and 4A' potential energy surfaces was estimated and discussed

  16. Versatility of hydrocarbon production in cyanobacteria.

    Science.gov (United States)

    Xie, Min; Wang, Weihua; Zhang, Weiwen; Chen, Lei; Lu, Xuefeng

    2017-02-01

    Cyanobacteria are photosynthetic microorganisms using solar energy, H 2 O, and CO 2 as the primary inputs. Compared to plants and eukaryotic microalgae, cyanobacteria are easier to be genetically engineered and possess higher growth rate. Extensive genomic information and well-established genetic platform make cyanobacteria good candidates to build efficient biosynthetic pathways for biofuels and chemicals by genetic engineering. Hydrocarbons are a family of compounds consisting entirely of hydrogen and carbon. Structural diversity of the hydrocarbon family is enabled by variation in chain length, degree of saturation, and rearrangements of the carbon skeleton. The diversified hydrocarbons can be used as valuable chemicals in the field of food, fuels, pharmaceuticals, nutrition, and cosmetics. Hydrocarbon biosynthesis is ubiquitous in bacteria, yeasts, fungi, plants, and insects. A wide variety of pathways for the hydrocarbon biosynthesis have been identified in recent years. Cyanobacteria may be superior chassis for hydrocabon production in a photosynthetic manner. A diversity of hydrocarbons including ethylene, alkanes, alkenes, and terpenes can be produced by cyanobacteria. Metabolic engineering and synthetic biology strategies can be employed to improve hydrocarbon production in cyanobacteria. This review mainly summarizes versatility and perspectives of hydrocarbon production in cyanobacteria.

  17. THE ROLE OF NITROGEN IN TITAN’S UPPER ATMOSPHERIC HYDROCARBON CHEMISTRY OVER THE SOLAR CYCLE

    Energy Technology Data Exchange (ETDEWEB)

    Luspay-Kuti, A.; Mandt, K. E.; Greathouse, T. K. [Department of Space Research, Southwest Research Institute, San Antonio, TX 78228 (United States); Westlake, J. H. [Johns Hopkins University Applied Physics Laboratory, Laurel, MD 20723 (United States); Plessis, S., E-mail: aluspaykuti@swri.edu [Fund Kis, F-92160 Antony (France)

    2016-06-01

    Titan’s thermospheric photochemistry is primarily driven by solar radiation. Similarly to other planetary atmospheres, such as Mars’, Titan’s atmospheric structure is also directly affected by variations in the solar extreme-UV/UV output in response to the 11-year-long solar cycle. Here, we investigate the influence of nitrogen on the vertical production, loss, and abundance profiles of hydrocarbons as a function of the solar cycle. Our results show that changes in the atmospheric nitrogen atomic density (primarily in its ground state N({sup 4}S)) as a result of photon flux variations have important implications for the production of several minor hydrocarbons. The solar minimum enhancement of CH{sub 3}, C{sub 2}H{sub 6}, and C{sub 3}H{sub 8}, despite the lower CH{sub 4} photodissociation rates compared with solar maximum conditions, is explained by the role of N({sup 4}S). N({sup 4}S) indirectly controls the altitude of termolecular versus bimolecular chemical regimes through its relationship with CH{sub 3}. When in higher abundance during solar maximum at lower altitudes, N({sup 4}S) increases the importance of bimolecular CH{sub 3} + N({sup 4}S) reactions producing HCN and H{sub 2}CN. The subsequent remarkable CH{sub 3} loss and decrease in the CH{sub 3} abundance at lower altitudes during solar maximum affects the overall hydrocarbon chemistry.

  18. Experimental and theoretical studies of the C{sub 6}H{sub 5} + C{sub 6}H{sub 6} reaction

    Energy Technology Data Exchange (ETDEWEB)

    Park, J.; Burova, S.; Rodgers, A.S.; Lin, M.C.

    1999-11-11

    The absolute rate constants for the C{sub 6}H{sub 5} + C{sub 6}H{sub 6} and C{sub 6}D{sub 6} reactions have been measured by cavity ringdown spectrometry at temperatures between 298 and 495 K at a constant 40 Torr Ar pressure. The new results, which reveal no detectable kinetic isotopic effect, can be represented by the Arrhenius equation, {kappa}{sub 1} = 10{sup (11.91{+-}0.13)} exp[{minus}(2,102 {+-} 106)/T] cm{sup 3}/(mol s). Low-temperature data for the addition/stabilization process, C{sub 6}H{sub 5} + C{sub 6}H{sub 6} {r{underscore}arrow} C{sub 12}H{sub 11}, can be correlated with those obtained in a low-pressure, high-temperature Knudsen cell study for the addition/displacement reaction, C{sub 6}H{sub 5} + C{sub 6}H{sub 6} {r{underscore}arrow} C{sub 12}H{sub 10} + H, by the RRKM theory using the molecular and transition-state parameters computed at the B3LYP/6-311G(d,p) level of theory. Combination of these two sets of data gives {kappa}{sub 1} = 10{sup (11.98{+-}0.03)} exp[{minus}(2168 {+-} 34)/T] cm{sup 3}/(mol s) covering the temperature range 298--1,330 K. The RRKM theory also correlates satisfactorily the forward reaction data with the high-temperature shock-tube result for the reverse H-for-C{sub 6}H{sub 5} substitution process with 2.7 and 4.7 kcal/mol barriers for the entrance (C{sub 6}H{sub 5} + C{sub 6}H{sub 6}) and reverse (H + C{sub 12}H{sub 10}) reactions, respectively. For modeling applications, the authors have calculated the forward reaction rate constants for the formation of the two competing products, H + C{sub 12}H{sub 10} and C{sub 12}H{sub 11}, at several pressures covering 300 K {lt} T {lt} 2,500 K.

  19. A new adsorption isotherm for C5 hydrocarbons on metal–organic framework Cu3(BTC)2

    Czech Academy of Sciences Publication Activity Database

    Zukal, Arnošt; Kubů, Martin

    2015-01-01

    Roč. 21, 1-2 (2015), s. 99-105 ISSN 0929-5607 R&D Projects: GA ČR GA14-07101S Institutional support: RVO:61388955 Keywords : Cu3(BTC)2 * adsorption * C5 hydrocarbons Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.870, year: 2015

  20. EFFECT OF OXYGENATED HYDROCARBON ADDITIVES ON EXHAUST EMISSIONS OF A DIESEL ENGINE

    Directory of Open Access Journals (Sweden)

    C. Sundar Raj

    2010-12-01

    Full Text Available The use of oxygenated fuels seems to be a promising solution for reducing particulate emissions in existing and future diesel motor vehicles. In this work, the influence of the addition of oxygenated hydrocarbons to diesel fuels on performance and emission parameters of a diesel engine is experimentally studied. 3-Pentanone (C5H10O and Methyl anon (C7H12O were used as oxygenated fuel additives. It was found that the addition of oxygenated hydrocarbons reduced the production of soot precursors with respect to the availability of oxygen content in the fuel. On the other hand, a serious increase of NOx emissions is observed. For this reason the use of exhaust gas recirculation (EGR to control NOx emissions is examined. From the analysis of it is examined experimental findings, it is seen that the use of EGR causes a sharp reduction in NOx and smoke simultaneously. On the other hand, EGR results in a slight reduction of engine efficiency and maximum combustion pressure which in any case does not alter the benefits obtained from the oxygenated fuel.

  1. Vacuum ultraviolet spectroscopy of some hydrocarbons by electron impact technique

    International Nuclear Information System (INIS)

    Azevedo e Souza, A.C. de.

    1985-07-01

    A detailed description of the construction and operation of the electron impact spectrometer of the Electron Impact Laboratory at the Chemistry Institute of Federal University of Rio de Janeiro are presented. The main characteristics of this spectrometer are: incident energy from 0.5 to 3.0 KeV; angular range from -60 0 to + 60 0 ; energy loss from 0 to 500 eV; energy resolution from 0.5 to 2.5 eV and; electron velocity analyser equal to electrostatic (Mollenstedt type. The data acquisition system is based on a microcomputer Motorola; recently an APPLE II system has been incorporated to the spectrometer. Electron energy loss spectra for the nitrogen molecule as well as for some hydrocarbons (C 2 H 6 , C 2 H 4 , C 2 H 2 ) have been obtained. The data were converted into double differential cross sections and generalized oscillator strenghts. (author) [pt

  2. Remediation of total petroleum hydrocarbons using combined in-vessel composting ‎and oxidation by activated persulfate

    Directory of Open Access Journals (Sweden)

    A.R. Asgari

    2017-12-01

    Full Text Available This study was investigated the efficiency of activated persulfate and ‎in-vessel composting for removal of total petroleum hydrocarbons. ‎Remediation by activated persulfate with ferrous sulfate as pre-treatment was done at batch system. In the chemical oxidation, various variables including persulfate concentrations (10-3000 mg/g as waste, pH (3-7, ferrous sulfate (0.5-4 mg/g as wasteand temperature (20-60°C were studied. In the biological system, premature compost was added as an amendment. The filter cake to compost ratio were 1:0 (as control and 1:5 to 15 (as dry basis. C: N: P ratio and moisture content were 100:5:1 and 45-60%, respectively. The results showed that acidic pH (pH=3 had high efficiency for the removal of total petroleum hydrocarbons by activated persulfate. Temperature had the significant effect during the persulfate oxidation. When ferrous sulfate was used as an activator for degradation at acidic condition and 60°C, removal efficiency increased to 47.32%. The results of biological process showed that the minimum total petroleum hydrocarbons removal in all reactors was 62 percent. The maximum and minimum removal efficiency was obtained at 1:5 (69.46% and 1:10 (62.42% mixing ratios, respectively. Kinetic study showed that second order kinetic model (R2>0.81 shows the best agreement with the experimental data and the rate of TPH degradation at low mixing ratio (1:3 was faster than high mixing ratio (1:15. Therefore, according to the results, in-vessel composting after pre-treatment by activated persulfate is suggested as an efficient process for degradation of total petroleum hydrocarbons.

  3. Disproportionation and thermochemical sulfate reduction reactions in S-H20-Ch4 and S-D2O-CH4 systems from 200 to 340 °C at elevated pressures

    Science.gov (United States)

    Yuan, Shunda; Chou, I-Ming; Burruss, Robert A.

    2013-01-01

    Elemental sulfur, as a transient intermediate compound, by-product, or catalyst, plays significant roles in thermochemical sulfate reduction (TSR) reactions. However, the mechanisms of the reactions in S-H2O-hydrocarbons systems are not clear. To improve our understanding of reaction mechanisms, we conducted a series of experiments between 200 and 340 °C for S-H2O-CH4, S-D2O-CH4, and S-CH4-1m ZnBr2 systems in fused silica capillary capsules (FSCC). After a heating period ranging from 24 to 2160 hours (hrs), the quenched samples were analyzed by Raman spectroscopy. Combined with the in situ Raman spectra collected at high temperatures and pressures in the S-H2O and S-H2O-CH4 systems, our results showed that (1) the disproportionation of sulfur in the S-H2O-CH4 system occurred at temperatures above 200 °C and produced H2S, SO42-, and possibly trace amount of HSO4-; (2) sulfate (and bisulfate), in the presence of sulfur, can be reduced by methane between 250 and 340 °C to produce CO2 and H2S, and these TSR temperatures are much closer to those of the natural system (2O-CH4 system may take place simultaneously, with TSR being favored at higher temperatures; and (4) in the system S-D2O-CH4, both TSR and the competitive disproportionation reactions occurred simultaneously at temperatures above 300 °C, but these reactions were very slow at lower temperatures. Our observation of methane reaction at 250 °C in a laboratory time scale suggests that, in a geologic time scale, methane may be destroyed by TSR reactions at temperatures > 200 °C that can be reached by deep drilling for hydrocarbon resources.

  4. Crystal structure, quantum mechanical investigation, IR and NMR spectroscopy of two new organic salts: (C8H12NO)·[NO3] (I) and (C8H14N4)·[ClO4]2 (II)

    Science.gov (United States)

    Bayar, I.; Khedhiri, L.; Soudani, S.; Lefebvre, F.; Pereira da Silva, P. S.; Ben Nasr, C.

    2018-06-01

    Two new organic-inorganic hybrid materials, 4-methoxybenzylammonium nitrate, (C8H12NO)·[NO3] (I), and 2-(1-piperazinyl)pyrimidinium bis(perchlorate), (C8H14N4)·[ClO4]2(II), have been synthesized by an acid/base reaction at room temperature, their structures were determined by single crystal X-ray diffraction. Compound (I) crystallizes in the orthorhombic system and Pnma space group with a = 15.7908 (7), b = 6.8032 (3), c = 8.7091 (4) Å, V = 935.60 (7) Å3 with Z = 4. Full-matrix least-squares refinement converged at R = 0.038 and wR(F2) = 0.115. Compound (II) belongs to the monoclinic system, space group P21/c with the following parameters: a = 10.798(2), b = 7.330(1), c = 21.186(2) Å, β = 120.641 (4)°, V = 1442.7 (3) Å3and Z = 4. The structure was refined to R = 0.044, wR(F2) = 0.132. In the structures of (I) and (II), the anionic and cationic entities are interconnected by hydrogen bonding contacts forming three-dimensional networks. Intermolecular interactions were investigated by Hirshfeld surfaces and the contacts of the four different chloride atoms in (II) were compared. The Molecular Electrostatic Potential (MEP) maps and the HOMO and LUMO energy gaps of both compounds were computed. The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid-state 13C, 35Cl and 15N NMR spectroscopy. DFT calculations allowed the attribution of the IR and NMR bands.

  5. Influence of soil and hydrocarbon properties on the solvent extraction of high-concentration weathered petroleum from contaminated soils.

    Science.gov (United States)

    Sui, Hong; Hua, Zhengtao; Li, Xingang; Li, Hong; Wu, Guozhong

    2014-05-01

    Petroleum ether was used to extract petroleum hydrocarbons from soils collected from six oil fields with different history of exploratory and contamination. It was capable of fast removing 76-94 % of the total petroleum hydrocarbons including 25 alkanes (C11-C35) and 16 US EPA priority polycyclic aromatic hydrocarbons from soils at room temperature. The partial least squares analysis indicated that the solvent extraction efficiencies were positively correlated with soil organic matter, cation exchange capacity, moisture, pH, and sand content of soils, while negative effects were observed in the properties reflecting the molecular size (e.g., molecular weight and number of carbon atoms) and hydrophobicity (e.g., water solubility, octanol-water partition coefficient, soil organic carbon partition coefficient) of hydrocarbons. The high concentration of weathered crude oil at the order of 10(5) mg kg(-1) in this study was demonstrated adverse for solvent extraction by providing an obvious nonaqueous phase liquid phase for hydrocarbon sinking and increasing the sequestration of soluble hydrocarbons in the insoluble oil fractions during weathering. A full picture of the mass distribution and transport mechanism of petroleum contaminants in soils will ultimately require a variety of studies to gain insights into the dynamic interactions between environmental indicator hydrocarbons and their host oil matrix.

  6. Deposition and characterisation of multilayer hard coatings. Ti/TiNδ/TiCxNy/(TiC) a-C:H/(Ti) a-C:H

    International Nuclear Information System (INIS)

    Burinprakhon, T.

    2001-02-01

    Multilayer hard coatings containing Ti, TiNδ, TiC x N y , (TiC m ) a-C:H, (TiC n ) a-C:H, and (Ti) a-C:H were deposited on commercially pure titanium substrates by using an asymmetric bipolar pulsed-dc reactive magnetron sputtering of a titanium target, with Ar, Ar+N 2 , Ar+N 2 +CH 4 , and Ar+CH 4 gas mixtures. The microstructures, elemental compositions and bonding states of the interlayers and the coating surfaces were studied by using cross-sectional transmission electron microscopy (XTEM), electron energy loss spectroscopy (EELS), X-ray diffraction (XRD), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The microstructure development of the multilayer coating was strongly influenced by target poisoning. As a result of the complete poisoning of the titanium target during the deposition of TiNδ and TiC x N y interlayers, the a-C:H interlayers containing graded titanium and nitrogen contents were found to develop successively to the TiC x N y interlayer without the formation of near-stoichiometric TiC. The (TiC m ) a-C:H interlayer consisted of nano-particles of distorted fcc crystal structure embedded in the a-C:H matrix. The (TiC n ) a-C:H and (Ti) a-C:H top layers were found to be a-C:H matrix without nano-particles. In the (Ti) a-C:H top layer there was no measurable amount of Ti observed, regardless of the variation of CH 4 concentration between 37.5 and 60 % flow rate in Ar+-CH4 gas mixture. The top layer (Ti) a-C:H was found to contain approximately 10 atomic % nitrogen, due to N 2 contamination during deposition caused by low conductance of N 2 through the nominally closed valve of the mass flow controller. The change of the CH 4 concentration during deposition of the top layer (Ti) a-C:H, however, showed a strong influence on the hydrogen content. The comparison of the fluorescence background of the Raman spectra revealed that hydrogen-less (Ti) a-C:H was deposited at a CH 4 concentration of less than 50 % flow rate in Ar. The hardness

  7. Hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    1927-02-22

    Coal tar, mineral oils, bitumens, coal extraction products, hydrogenation products of coal, oil schists can be atomized and heated with steam to decompose pyrogenetically and form gases rich in olefins which may be heated with or without pressure and with or without catalysts to produce liquid hydrocarbons of low boiling point, some of which may be aromatic. The apparatus should be lined with copper, silica, or ferrosilicon to prevent contact of the bases with iron which causes deposition of soot. Catalysts used may be metal oxides, silica, graphite, active charcoal, mica, pumice, porcelain, barium carbonate, copper, silver, gold, chromium, boron, or their compounds. At temperatures from 300 to 400/sup 0/C, olefins are produced. At higher temperatures, naphthenes and benzene hydrocarbons are produced.

  8. Selective detection of isomers with photoionization mass spectrometry for studies of hydrocarbon flame chemistry

    International Nuclear Information System (INIS)

    Cool, Terrill A.; Nakajima, Koichi; Mostefaoui, Toufik A.; Qi, Fei; McIlroy, Andrew; Westmoreland, Phillip R.; Law, Matthew E.; Poisson, Lionel; Peterka, Darcy S.; Ahmed, Musahid

    2003-01-01

    We report the first use of synchrotron radiation, continuously tunable from 8 to 15 eV, for flame-sampling photoionization mass spectrometry (PIMS). Synchrotron radiation offers important advantages over the use of pulsed vacuum ultraviolet lasers for PIMS; these include superior signal-to-noise, soft ionization, and access to photon energies outside the limited tuning ranges of current VUV laser sources. Near-threshold photoionization efficiency measurements were used to determine the absolute concentrations of the allene and propyne isomers of C 3 H 4 in low-pressure laminar ethylene-oxygen and benzene-oxygen flames. Similar measurements of the isomeric composition of C 2 H 4 O species in a fuel-rich ethylene-oxygen flame revealed the presence of substantial concentrations of ethenol (vinyl alcohol) and acetaldehyde. Ethenol has not been previously detected in hydrocarbon flames. Absolute photoionization cross sections were measured for ethylene, allene, propyne, and acetaldehyde, using propene as a calibration standard. PIE curves are presented for several additional reaction intermediates prominent in hydrocarbon flames

  9. Banding or Burdizzo castration and carprofen administration on peripheral leukocyte inflammatory cytokine transcripts.

    Science.gov (United States)

    Pang, W Y; Earley, B; Murray, M; Sweeney, T; Gath, V; Crowe, M A

    2011-02-01

    The objective was to investigate if Banding or Burdizzo castration of bulls would alter the gene expression profile of a range of peripheral leukocyte inflammatory cytokines (IL-1, IL-6, IL-8, IL-10, interferon-γ and tumor necrosis factor-α) and to determine if the administration of carprofen (C) before castration would affect the expression of these genes. Thirty Holstein-Friesian bulls (5.5 months; Mean 191±(SEM) 3.7 kg) were blocked by weight and randomly assigned to one of five treatments: (1) untreated control (CON); (2) Banding castration at 0 min (BAND); (3) BAND following an i.v. injection of 1.4 mg/kg BW of carprofen (C) at -20 min (BAND+C); (4) Burdizzo castration at 0 min (BURD); or (5) BURD following 1.4 mg/kg BW of carprofen at -20 min (BURD+C). Blood samples were collected at 1 h before castration and 6, 24 and 48 h post-castration for routine hematology and quantitative real-time PCR analysis of cytokine gene expression analysis. Generally, there were no differences (P>0.05) among treatment groups in hematological variables following castration. Cortisol concentrations were unchanged throughout the experimental period in CON bulls. BURD animals had greater cortisol concentrations than BAND and CON animals at 6 h post treatment. Transitory effects were observed only in the expression of IL-6 and TNF-α. The relative expression of IL-6 was greater in the BURD than in the BAND treatment (Pcarprofen administration can affect IL-6 gene expression levels in BURD castrated animals. Copyright © 2010 Elsevier Ltd. All rights reserved.

  10. Development of High Temperature SiC Based Hydrogen/Hydrocarbon Sensors with Bond Pads for Packaging

    Science.gov (United States)

    Xu, Jennifer C.; Hunter, Gary W.; Chen, Liangyu; Biagi-Labiosa, Azlin M.; Ward, Benjamin J.; Lukco, Dorothy; Gonzalez, Jose M., III; Lampard, Peter S.; Artale, Michael A.; Hampton, Christopher L.

    2011-01-01

    This paper describes efforts towards the transition of existing high temperature hydrogen and hydrocarbon Schottky diode sensor elements to packaged sensor structures that can be integrated into a testing system. Sensor modifications and the technical challenges involved are discussed. Testing of the sensors at 500 C or above is also presented along with plans for future development.

  11. Volume properties and refraction of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids lysine, threonine, and oxyproline (C60(C6H13N2O2)2, C60(C4H8NO3)2, and C60(C5H9NO2)2) at 25°C

    Science.gov (United States)

    Semenov, K. N.; Ivanova, N. M.; Charykov, N. A.; Keskinov, V. A.; Kalacheva, S. S.; Duryagina, N. N.; Garamova, P. V.; Kulenova, N. A.; Nabieva, A.

    2017-02-01

    Concentration dependences of the density of aqueous solutions of bisadducts of light fullerene C60 and essential amino acids are studied by pycnometry. Concentration dependences of the average molar volumes and partial volumes of components (H2O and corresponding bisadducts) are calculated for C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems at 25°C. Concentration dependences of the indices of refraction of C60(C6H13N2O2)2-H2O, C60(C4H8NO3)2-H2O, and C60(C5H9NO2)2-H2O binary systems are determined at 25°C. The concentration dependences of specific refraction and molar refraction of bisadducts and aqueous solutions of them are calculated.

  12. Enhanced visible light photocatalytic H{sub 2} evolution of metal-free g-C{sub 3}N{sub 4}/SiC heterostructured photocatalysts

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Biao, E-mail: wangbiao@fjirsm.ac.cn [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Zhang, Jingtao, E-mail: zhangjtao@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou 510006 (China); Huang, Feng, E-mail: huangfeng@mail.sysu.edu.cn [Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-sen University, Guangzhou 510006 (China)

    2017-01-01

    Highlights: • Novel g-C{sub 3}N{sub 4}/SiC composite was prepared by synthesizing g-C{sub 3}N{sub 4} on the surface of SiC. • g-C{sub 3}N{sub 4}/SiC composites exhibit much higher H{sub 2} production activity than pure g-C{sub 3}N{sub 4}. • The g-C{sub 3}N{sub 4}/SiC heterojunction mainly accounts for improved photocatalytic activity. - Abstract: g-C{sub 3}N{sub 4} has been attracting much attention for application in visible light photocatalytic water splitting due to its suitable band structure, and high thermal and chemical stability. However, the rapid recombination of photogenerated carriers has inhibited its wide use. For this reason, novel g-C{sub 3}N{sub 4}/SiC composites were prepared via in situ synthesis of g-C{sub 3}N{sub 4} on the surface of SiC, with which g-C{sub 3}N{sub 4} shows tight interaction (chemical bonding). The g-C{sub 3}N{sub 4}/SiC composites exhibit high stability in H{sub 2} production under irradiation with visible light (λ ≥ 420 nm), demonstrating a maximum of 182 μmol g{sup −1} h{sup −1}, being 3.4 times higher than that of pure g-C{sub 3}N{sub 4}. The enhanced photocatalytic H{sub 2} production ability for g-C{sub 3}N{sub 4}/SiC photocatalysts is primarily ascribed to the combined effects of enhanced separation of photogenerated carriers through efficient migration of electron and enlarged surface areas, in addition to the possible contributions of increased hydrophilicity of SiC and polymerization degree of g-C{sub 3}N{sub 4}. This study may provide new insights into the development of g-C{sub 3}N{sub 4}-based composites as stable and efficient photocatalysts for H{sub 2} production from water splitting.

  13. Validation of S-NPP VIIRS Day-Night Band and M Bands Performance Using Ground Reference Targets of Libya 4 and Dome C

    Science.gov (United States)

    Chen, Xuexia; Wu, Aisheng; Xiong, Xiaoxiong; Lei, Ning; Wang, Zhipeng; Chiang, Kwofu

    2015-01-01

    This paper provides methodologies developed and implemented by the NASA VIIRS Calibration Support Team (VCST) to validate the S-NPP VIIRS Day-Night band (DNB) and M bands calibration performance. The Sensor Data Records produced by the Interface Data Processing Segment (IDPS) and NASA Land Product Evaluation and Algorithm Testing Element (PEATE) are acquired nearly nadir overpass for Libya 4 desert and Dome C snow surfaces. In the past 3.5 years, the modulated relative spectral responses (RSR) change with time and lead to 3.8% increase on the DNB sensed solar irradiance and 0.1% or less increases on the M4-M7 bands. After excluding data before April 5th, 2013, IDPS DNB radiance and reflectance data are consistent with Land PEATE data with 0.6% or less difference for Libya 4 site and 2% or less difference for Dome C site. These difference are caused by inconsistent LUTs and algorithms used in calibration. In Libya 4 site, the SCIAMACHY spectral and modulated RSR derived top of atmosphere (TOA) reflectance are compared with Land PEATE TOA reflectance and they indicate a decrease of 1.2% and 1.3%, respectively. The radiance of Land PEATE DNB are compared with the simulated radiance from aggregated M bands (M4, M5, and M7). These data trends match well with 2% or less difference for Libya 4 site and 4% or less difference for Dome C. This study demonstrate the consistent quality of DNB and M bands calibration for Land PEATE products during operational period and for IDPS products after April 5th, 2013.

  14. Production of low molecular weight hydrocarbons by volcanic eruptions on early Mars.

    Science.gov (United States)

    Segura, Antígona; Navarro-González, Rafael

    2005-10-01

    Methane and other larger hydrocarbons have been proposed as possible greenhouse gases on early Mars. In this work we explore if volcanic processes may have been a source for such molecules based on theoretical and experimental considerations. Geologic evidence and numerical simulations indicate that explosive volcanism was widely distributed throughout Mars. Volcanic lightning is typically produced in such explosive volcanism. Therefore this geologic setting was studied to determine if lightning could be a source for hydrocarbons in volcanic plumes. Volcanic lightning was simulated by focusing a high-energy infrared laser beam inside of a Pyrex reactor that contained the proposed volcanic gas mixture composed of 64% CH(4), 24% H(2), 10% H(2)O and 2% N(2), according to an accretion model and the nitrogen content measured in Martian meteorites. The analysis of products was performed by gas chromatography coupled to infrared and mass spectroscopy. Eleven hydrocarbons were identified among the products, of which acetylene (C(2)H(2)) was the most abundant. A thermochemical model was used to determine which hydrocarbons could arise only from volcanic heat. In this case, acetylene and ethylene are formed at magmatic temperatures. Our results indicate that explosive volcanism may have injected into the atmosphere of early Mars approximately 6 x 10(12) g yr(-1) of acetylene, and approximately 2 x 10(12) g yr(-1) of 1,3-butadiyne, both produced by volcanic lightning, approximately 5 x 10(11) g yr(-1) of ethylene produced by volcanic heat, and 10(13) g yr(-1) of methane.

  15. Synthesis, structure, optical, photoluminescence and magnetic properties of K2[Co(C2O4)2(H2O)2]·4H2O

    Science.gov (United States)

    Narsimhulu, M.; Hussain, K. A.

    2018-06-01

    The synthesis, crystal structure, optical, photoluminescence and magnetic behaviour of potassium bis(oxalato)cobaltate(II)tertrahydrate{K2[Co(C2O4)2(H2O)2]·4H2O} are described. The compound was grown at room temperature from mixture of aqueous solutions by slow evaporation method. The X-ray crystallographic data showed that the compound belongs to the monoclinic crystal system with P21/n space group and Z = 4. The UV-visible diffuse absorbance spectra exhibited bands at 253, 285 and 541 nm in the visible and ultraviolet regions. The optical band gap of the compound was estimated as 3.4 eV. At room temperature, an intense photoluminescence was observed from this material around 392 nm when it excited at 254 nm. The variable temperature dc magnetic susceptibility measurements exposed paramagnetic behaviour at high temperatures and antiferromagnetic ordering at low temperatures.

  16. A comparison of the C{sub 2}-C{sub 9} hydrocarbon compositions of vehicle fuels and urban air in Dublin, Ireland

    Energy Technology Data Exchange (ETDEWEB)

    Broderick, B M; Marnane, I S [Trinity College, Dublin (Ireland). Dept. of Civil, Structural and Environmental Engineering

    2002-07-01

    Hourly roadside hydrocarbon concentrations were measured over a six-week period at a heavily trafficked junction in Dublin city centre. Samples of ten typical leaded and unleaded petrol fuels used in Irish vehicles were also collected and their hydrocarbon compositions determined. The measured ambient hydrocarbon concentrations are presented, as are the properties of each of the analysed fuels. Comparison of the ambient hydrocarbon concentrations and the fuel hydrocarbon composition reveals a strong correlation for most hydrocarbons, except those compounds that were wholly combustion derived (i.e. not present in the fuel). Different characteristics were noted for aromatics, alkanes and alkenes. The comparison of roadside ambient air and fuel hydrocarbon content agrees well with other studies that have compared fuel content and exhaust composition. The relative impacts of exhaust and evaporative emissions on roadside hydrocarbon concentrations are apparent. (Author)

  17. Modification of structure and optical band-gap of nc-Si:H films with ion irradiation

    International Nuclear Information System (INIS)

    Zhu Yabin; Wang Zhiguang; Sun Jianrong; Yao Cunfeng; Shen Tielong; Li Bingsheng; Wei Kongfang; Pang Lilong; Sheng Yanbin; Cui Minghuan; Li Yuanfei; Wang Ji; Zhu Huiping

    2012-01-01

    Hydrogenated nano-crystalline silicon (nc-Si:H) films fabricated by using hot-wire chemical vapor deposition are irradiated at room temperature with 6.0 MeV Xe-ions. The irradiation fluences are 1.0 × 10 13 , 5.0 × 10 13 and 1.0 × 10 14 Xe-ions/cm 2 . The structure and optical band-gap of the irradiated films varying with ion fluence are investigated by means of X-ray diffraction, Raman and UV–Vis–NIR spectroscopes, as well as transmission electron microscopy. It is found that the crystallite size, the crystalline fraction and the optical band-gap decrease continuously with increasing the ion fluence. The crystalline fraction of the films irradiated to the fluences from 0 to 1.0 × 10 14 Xe-ions/cm 2 decreases from about 65.7% to 2.9% and the optical band-gap decreases from about 2.1 to 1.6 eV. Possible origins of the modification of the nc-Si:H films under 6.0 MeV Xe-ions irradiation are briefly discussed.

  18. Dependency of the band gap of electrodeposited Copper oxide thin films on the concentration of copper sulfate (CuSO4.5H2O) and pH in bath solution for photovoltaic applications

    KAUST Repository

    Islam, Md. Anisul

    2016-03-10

    In this study, Copper oxide thin films were deposited on copper plate by electrodeposition process in an electrolytic bath containing CuSO4.5H2O, 3M lactic acid and NaOH. Copper oxide films were electrodeposited at different pH and different concentration of CuSO4.5H2O and the optical band gap was determined from their absorption spectrum which was obtained from UV-Vis absorption spectroscopy. It was found that copper oxide films which were deposited at low concentration of CuSO4.5H2O have higher band gap than those deposited at higher bath concentration. The band gap of copper oxide films also significantly changes with pH of the bath solution. It was also observed that with the increase of the pH of bath solution band gap of copper oxide film decreased. © 2015 IEEE.

  19. Constructed wetlands for treatment of dissolved phase hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Moore, B J; Ross, S D [Komex International, Calgary, AB (Canada); Gibson, D [Calgary Univ., AB (Canada); Hardisty, P E [Komex Clarke Bond, Bristol (United Kingdom)

    1999-01-01

    The use of constructed wetlands as an alternative to conventional treatment of condensate-contaminated groundwater was studied. In 1997 a pilot scale wetland was constructed and implemented at the Gulf Strachan Gas Processing Plant to determine its ability in treating extracted groundwater contaminated with natural gas condensates. This paper presented the results of hydrocarbon removal efficiency, hydrocarbon removal mechanisms, winter operation, and the effect of hydrocarbons on vegetation health. The inflow water to the wetland contains 15 to 20 mg/L of C[sub 5]-C[sub 10] hydrocarbons, including 50 per cent BTEX compounds. During the summer months, hydrocarbon removal efficiency was 100 per cent, but decreased to 60 and 30 per cent in the spring and late fall, respectively. The hydrocarbons not removed in the wetland were eventually removed along the outflow channel. Temperature was determined to be an important factor in the variable removal rates, particularly when there is no aeration. The main hydrocarbon removal mechanisms appear to be volatilization, biodegradation and dilution. At present, plant uptake is not a factor. 12 refs., 1 tab., 3 figs.

  20. Constructed wetlands for treatment of dissolved phase hydrocarbons

    International Nuclear Information System (INIS)

    Moore, B.J.; Ross, S.D.; Gibson, D.; Hardisty, P.E.

    1999-01-01

    The use of constructed wetlands as an alternative to conventional treatment of condensate-contaminated groundwater was studied. In 1997 a pilot scale wetland was constructed and implemented at the Gulf Strachan Gas Processing Plant to determine its ability in treating extracted groundwater contaminated with natural gas condensates. This paper presented the results of hydrocarbon removal efficiency, hydrocarbon removal mechanisms, winter operation, and the effect of hydrocarbons on vegetation health. The inflow water to the wetland contains 15 to 20 mg/L of C 5 -C 10 hydrocarbons, including 50 per cent BTEX compounds. During the summer months, hydrocarbon removal efficiency was 100 per cent, but decreased to 60 and 30 per cent in the spring and late fall, respectively. The hydrocarbons not removed in the wetland were eventually removed along the outflow channel. Temperature was determined to be an important factor in the variable removal rates, particularly when there is no aeration. The main hydrocarbon removal mechanisms appear to be volatilization, biodegradation and dilution. At present, plant uptake is not a factor. 12 refs., 1 tab., 3 figs

  1. Process for refining hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Risenfeld, E H

    1924-11-26

    A process is disclosed for the refining of hydrocarbons or other mixtures through treatment in vapor form with metal catalysts, characterized by such metals being used as catalysts, which are obtained by reduction of the oxide of minerals containing the iron group, and by the vapors of the hydrocarbons, in the presence of the water vapor, being led over these catalysts at temperatures from 200 to 300/sup 0/C.

  2. Linkage Map of the Long Arm of Barley Chromosome 3 Using C-Bands and Marker Genes

    DEFF Research Database (Denmark)

    Linde-Laursen, Ib

    1982-01-01

    locations. No recombination was observed between the two proximal C-band locations whereas the two distal locations recombined with a frequency of 12 2 per cent. The three C-band locations were linked with loci cer-zd, uz, and cer-zn, but not with the tightly linked loci Est-1 and Est-4. The order...

  3. Interfacial chemical bonding state and band alignment of CaF2/hydrogen-terminated diamond heterojunction

    International Nuclear Information System (INIS)

    Liu, J. W.; Liao, M. Y.; Cheng, S. H.; Imura, M.; Koide, Y.

    2013-01-01

    CaF 2 films are deposited on hydrogen-terminated diamond (H-diamond) by a radio-frequency sputter-deposition technique at room temperature. Interfacial chemical bonding state and band alignment of CaF 2 /H-diamond heterojunction are investigated by X-ray photoelectron spectroscopy. It is confirmed that there are only C-Ca bonds at the CaF 2 /H-diamond heterointerface. Valence and conductance band offsets of the CaF 2 /H-diamond heterojunciton are determined to be 3.7 ± 0.2 and 0.3 ± 0.2 eV, respectively. It shows a type I straddling band configuration. The large valence band offset suggests advantage of the CaF 2 /H-diamond heterojunciton for the development of high power and high frequency field effect transistors.

  4. High-resolution H-band spectroscopy of Be stars with SDSS-III/apogee. I. New Be stars, line identifications, and line profiles

    International Nuclear Information System (INIS)

    Chojnowski, S. Drew; Majewski, Steven R.; Hall, Matthew; Beaton, Rachael; Burton, Adam; Damke, Guillermo; Wilson, John; Whelan, David G.; Wisniewski, John P.; Shetrone, Matthew; Eikenberry, Steve; Hasselquist, Sten; Holtzman, Jon A.; Brewington, Howard; Brinkmann, J.; Mészáros, Szabolcs; Nidever, David; Schneider, Donald P.; Zasowski, Gail; Bizyaev, Dmitry

    2015-01-01

    The Apache Point Observatory Galactic Evolution Experiment (APOGEE) has amassed the largest ever collection of multi-epoch, high-resolution (R∼22,500), H-band spectra for B-type emission line (Be) stars. These stars were targeted by APOGEE as telluric standard stars and subsequently identified via visual inspection as Be stars based on H i Brackett series emission or shell absorption in addition to otherwise smooth continua and occasionally non-hydrogen emission features. The 128/238 APOGEE Be stars for which emission had never previously been reported serve to increase the total number of known Be stars by ∼6%. Because the H band is relatively unexplored compared to other wavelength regimes, we focus here on identification of the H-band lines and analysis of the emission peak velocity separations (Δv p ) and emission peak intensity ratios (V/R) of the usually double-peaked H i and non-hydrogen emission lines. H i Br11 emission is found to preferentially form in the circumstellar disks at an average distance of ∼2.2 stellar radii. Increasing Δv p toward the weaker Br12–Br20 lines suggests these lines are formed interior to Br11. By contrast, the observed IR Fe ii emission lines present evidence of having significantly larger formation radii; distinctive phase lags between IR Fe ii and H i Brackett emission lines further supports that these species arise from different radii in Be disks. Several emission lines have been identified for the first time including C i 16895, a prominent feature in the spectra for almost a fifth of the sample and, as inferred from relatively large Δv p compared to the Br11–Br20, a tracer of the inner regions of Be disks. Emission lines at 15760 Å and 16781 Å remain unidentified, but usually appear along with and always have similar line profile morphology to Fe ii 16878. Unlike the typical metallic lines observed for Be stars in the optical, the H-band metallic lines, such as Fe ii 16878, never exhibit any evidence of

  5. Multi-frequency EDMR studies of light-activated paramagnetic centers in μc-Si:H thin-film solar cells

    International Nuclear Information System (INIS)

    Meier, Christoph

    2014-01-01

    This thesis presents a comprehensive study of paramagnetic centers in fully-processed microcrystalline silicon (μc-Si:H) thin-film solar cells. The heterogeneous material gives rise to a complex band structure with deep defects in the middle of the energy band gap as well as localized states close to the energy band edges. They can act as recombination centers and traps and, thereby, influence the charge transport of photogenerated charge carriers. Thus, they diminish the performance of the cell. To reduce the disadvantageous influence of the defect states on the cell efficiency, a detailed understanding of the charge transport processes via these states is necessary. In this work, light-activated paramagnetic centers are studied with electrically detected magnetic resonance (EDMR) at various microwave frequencies. This technique combines electron paramagnetic resonance spectroscopy (EPR) with the photocurrent measurement in the solar cell, thus, delivering information about the transport processes and magnetic parameters of the involved defect states. Multi-frequency EDMR at low temperatures reveals four paramagnetic states in μc-Si:H. Dangling bond (db) defects and holes in valence band tail (h) states are located in the disordered phase, whereas so-called CE and V states originate from the crystalline phase. The multi-frequency approach allows for a separation of field-dependent and -independent line widths. All EDMR signals are affected by line broadening due to spin-spin interaction, which could be used to estimate mean inter-spin distances of around ∼ 0.5 nm for the V center and of ∼ 1-2 nm for the remaining centers. Based on the strong spin-spin coupling and on transient nutation experiments the V signal could be correlated with a vacancy site in its excited triplet state. From the particular properties of the CE line it was concluded that the corresponding states are located in inversion layers and potential wells close to the conduction band of

  6. Endophytic Bacteria Associated with Hieracium piloselloides: Their Potential for Hydrocarbon-Utilizing and Plant Growth-Promotion.

    Science.gov (United States)

    Pawlik, Małgorzata; Piotrowska-Seget, Zofia

    2015-01-01

    The aim of this study was to assess the potential of 18 crude-oil-degrading endophytic bacteria for removal of hydrocarbons and promotion of plant growth. Strains were isolated from Hieracium piloselloides (tall hawkweed), which grows in soil heavily polluted with petroleum hydrocarbons. Bacteria from the genus Pseudomonas were abundant among the isolates. The potential for hydrocarbon degradation was evaluated by polymerase chain reaction (PCR) analyses of the genes alkB, alkH, C23O, P450, and pah. It was found that 88.89% of the endophytic bacteria contained gene-encoding polycyclic aromatic hydrocarbon (PAH) initial dioxygenase, 61% possessed the 2,3-catechol dioxygenase gene, and 39% of strains that were tested had the cytochrome P-450 hydroxylase gene. All isolates were capable of producing indole-3-acetic acid (1.8-76.4 μg/ml). Only 17% of them were able to produce siderophores, excrete cellulase, and solubilize phosphate. Hydrogen cyanide synthesis occurred in 33% of endophytic bacteria. The 1-aminocyclopropane-1-carboxylate deaminase activity in isolates that were screened was in the range of 2.6 to 74.1 μmol α-ketobutyrate/mg/h. This feature of the bacteria indicated that isolates may enhance the phytoremediation process. Data suggest that crude-oil-degrading endophytic bacteria possess potential to be promising candidates for enhancement of phytoremediation of hydrocarbon-contaminated soil. Further evaluation of these bacteria is needed in order to assess the role played in the degradation of petroleum hydrocarbons.

  7. SINGLE-BAND, TRIPLE-BAND, OR MULTIPLE-BAND HUBBARD MODELS

    NARCIS (Netherlands)

    ESKES, H; SAWATZKY, GA

    1991-01-01

    The relevance of different models, such as the one-band t-J model and the three-band Emery model, as a realistic description of the electronic structure of high-T(c) materials is discussed. Starting from a multiband approach using cluster calculations and an impurity approach, the following

  8. Cusp and W peak analysis in electron capture to the continuum of bare H and He projectiles from hydrocarbon and fluorocarbon gases

    Energy Technology Data Exchange (ETDEWEB)

    Joyce, J.M.; Bissinger, G.

    1987-04-01

    The ECC cusp and W peak shapes for continuum electron capture by approx. = MeV/u H/sup +/ and He/sup 2 +/ from hydrocarbon and fluorocarbon gas molecules are analyzed with the general parametric expression of Meckbach, Nemirovsky and Garibotti (i) to look for trends in the coefficients of these parameters, (ii) as a way of generating computed cusp shapes to reduce statistical fluctuations in cusp difference spectra, and (iii) to provide information on the deconvoluted d/sup 2/sigma/d..nu.. dtheta values for cusp and W peaks in the hydrocarbon gases.

  9. Structural characterization of chemical warfare agent degradation products in decontamination solutions with proton band-selective (1)H-(31)P NMR spectroscopy.

    Science.gov (United States)

    Koskela, Harri; Hakala, Ullastiina; Vanninen, Paula

    2010-06-15

    Decontamination solutions, which are usually composed of strong alkaline chemicals, are used for efficient detoxification of chemical warfare agents (CWAs). The analysis of CWA degradation products directly in decontamination solutions is challenging due to the nature of the matrix. Furthermore, occasionally an unforeseen degradation pathway can result in degradation products which could be eluded to in standard analyses. Here, we present the results of the application of proton band-selective (1)H-(31)P NMR spectroscopy, i.e., band-selective 1D (1)H-(31)P heteronuclear single quantum coherence (HSQC) and band-selective 2D (1)H-(31)P HSQC-total correlation spectroscopy (TOCSY), for ester side chain characterization of organophosphorus nerve agent degradation products in decontamination solutions. The viability of the approach is demonstrated with a test mixture of typical degradation products of nerve agents sarin, soman, and VX. The proton band-selective (1)H-(31)P NMR spectroscopy is also applied in characterization of unusual degradation products of VX in GDS 2000 solution.

  10. 6-Electron exchange function as a simple estimator of aromaticity in large polyaromatic hydrocarbons

    Science.gov (United States)

    Mandado, Marcos; Mosquera, Ricardo A.

    2009-02-01

    The 6-electron exchange function (6-EEF) is defined and calculated for a series of large polyaromatic hydrocarbons (PAHs). It is shown that the 6-EEF, computed at selected points in space, is able to reproduce in PAHs the same relative values as the multicenter electron delocalization indices with an affordable computational cost and without using any definition of the atom in the molecule. Calculations for a series of D 6h PAHs ranging from C 6H 6 to C 216H 36 are performed. The results can be extrapolated to even larger PAHs and allow predicting the behaviour of a benzene ring in an infinite sheet of graphite.

  11. Investigating Superhydrogenated Polycyclic Aromatic Hydrocarbons on HOPG and their catalytic abilities of H2 formation

    DEFF Research Database (Denmark)

    Simonsen, Frederik Doktor Skødt

    Scanning tunneling microscopy and temperature programmed desorption techniques have been used to investigate adsorption and abstraction of hydrogen atoms on the polycyclic aromatic hydrocarbon, coronene. The coronene molecules were exposed to different hydrogen fluences at a dosing temperature......). Both scanning tunneling microscopy (STM) and temperature programmed desorption (TPD) techniques have been used. Coronene monolayers were prepared on graphite and exposed to different fluences of 1000K H or D atoms. STM images show brigth spots on the coronene monolayers after hydrogenation indicating...... calcutions have also been made on desorption of H from a fully hydrogenated coronene molecule. The desorption DFT calculation reveals a favourable desorption route and stable configurations consistent with our TPD measurements[5]. References [1] Tielens, A., Reviews of Modern Physics, 85 (2013) 1021-1081 [2...

  12. Solvation of carbonaceous molecules by para-H{sub 2} and ortho-D{sub 2} clusters. I. Polycyclic aromatic hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Calvo, F., E-mail: florent.calvo@univ-grenoble-alpes.fr [Univ. Grenoble Alpes, LIPHY, F-38000 Grenoble, France and CNRS, LIPHY, F-38000 Grenoble (France); Yurtsever, E. [Koç University, Rumelifeneriyolu, Sariyer, Istanbul 34450 (Turkey)

    2016-06-14

    This work theoretically examines the progressive coating of planar polycyclic aromatic hydrocarbon (PAH) molecules ranging from benzene to circumcoronene (C{sub 54}H{sub 18}) by para-hydrogen and ortho-deuterium. The coarse-grained Silvera-Goldman potential has been extended to model the interactions between hydrogen molecules and individual atoms of the PAH and parametrized against quantum chemical calculations for benzene-H{sub 2}. Path-integral molecular dynamics simulations at 2 K were performed for increasingly large amounts of hydrogen coating the PAH up to the first solvation shell and beyond. From the simulations, various properties were determined such as the size of the first shell and its thickness as well as the solvation energy. The degree of delocalization was notably quantified from an energy landscape perspective, by monitoring the fluctuations among inherent structures sampled by the trajectories. Our results generally demonstrate a high degree of localization owing to relatively strong interactions between hydrogen and the PAH, and qualitatively minor isotopic effects. In the limit of large hydrogen amounts, the shell size and solvation energy both follow approximate linear relations with the numbers of carbon and hydrogen in the PAH.

  13. Hydrocarbon formation mechanism during uranium monocarbide hydrolysis

    International Nuclear Information System (INIS)

    Ermolaev, M.I.; Tishchenko, G.V.

    1979-01-01

    The hydrolysis of uranium monocarbide in oxidative media and in the presence of excessive hydrogen in statu nascendi has been investigated. It was found that oxydants promote the formation of elementary carbon, while in the presence of hydrogen the yield of light C-C hydrocarbons increases. EPR data confirm the radical mechanism of hydrocarbons formation during the decomposition of uranium monocarbide

  14. Full C-band Tunable MEMS-VCSEL for Next Generation G.metro Mobile Front- and Backhauling

    DEFF Research Database (Denmark)

    Wagner, Christoph; Zou, Shihuan Jim; Ortsiefer, Markus

    2017-01-01

    We report full C-band tunable, 10 Gbit/s capability, directly modulated MEMS-VCSEL for next generation converged mobile fronthaul and backhaul applications. Bit error rates below 10(-9) were achieved over up to 40 km SSMF.......We report full C-band tunable, 10 Gbit/s capability, directly modulated MEMS-VCSEL for next generation converged mobile fronthaul and backhaul applications. Bit error rates below 10(-9) were achieved over up to 40 km SSMF....

  15. Process for making unsaturated hydrocarbons using microchannel process technology

    Science.gov (United States)

    Tonkovich, Anna Lee [Dublin, OH; Yuschak, Thomas [Lewis Center, OH; LaPlante, Timothy J [Columbus, OH; Rankin, Scott [Columbus, OH; Perry, Steven T [Galloway, OH; Fitzgerald, Sean Patrick [Columbus, OH; Simmons, Wayne W [Dublin, OH; Mazanec, Terry Daymo, Eric

    2011-04-12

    The disclosed invention relates to a process for converting a feed composition comprising one or more hydrocarbons to a product comprising one or more unsaturated hydrocarbons, the process comprising: flowing the feed composition and steam in contact with each other in a microchannel reactor at a temperature in the range from about 200.degree. C. to about 1200.degree. C. to convert the feed composition to the product, the process being characterized by the absence of catalyst for converting the one or more hydrocarbons to one or more unsaturated hydrocarbons. Hydrogen and/or oxygen may be combined with the feed composition and steam.

  16. Evaluation of synthetic hydrocarbons for mark-recapture studies on the red milkweed beetle.

    Science.gov (United States)

    Ginzel, Matthew D; Hanks, Lawrence M

    2002-05-01

    This study evaluates the potential for using blends of synthetic hydrocarbons in mark-recapture studies of insects. To test the durability of hydrocarbons, we applied a blend of five straight-chain hydrocarbons (C24, C21, C26. C28, C30) to detached elytra of the red milkweed beetle, Tetraopes tetrophthalmus (Forster) (Coleoptera: Cerambycidae), mounted the elytra on pins, and placed them in an exposed location outdoors. The amount of hydrocarbons on the elytra did not change over time, even after two months of exposure to sun and rain. Synthetic hydrocarbons applied to the elytra of living beetles did not significantly influence their longevity or mating success in a laboratory study. and the amounts of hydrocarbons did not change with age. The invariability of hydrocarbon ratios over time suggests that blends could provide a nearly infinite variety of ratios to mark individual insects uniquely and indelibly with a hydrocarbon "fingerprint." This technique offers a convenient, safe, and durable means of individually marking insects and may find application in field studies of larger bodied insects that are long-lived and sedentary.

  17. Risk analysis associated with petroleum hydrocarbons: is everything running smoothly?

    International Nuclear Information System (INIS)

    Morin, D.

    1999-01-01

    Petroleum products represent one of the main sources of environmental contamination, and these products are complex, composed of several hundred individual hydrocarbons. The evaluation of the risks associated with petroleum products is often limited by certain specific parameters such as benzene. The petroleum hydrocarbons running from C(10) to C(50) are not often integrated in an analysis of the toxological risks since the toxological characterization of a complex mixture of hydrocarbons is difficult to carry out. There exist in the United States two approaches that were developed recently that allow the integration of various hydrocarbons comprising a mixture. In this presentation, two of these approaches are described and compared. An overview of these approaches related to Canadian regulatory bodies is included, and a case study completes the account. The two approaches that are most well known in this area are: 1) that of the Massachusetts Dept. of Environmental Protection, and 2) that of the Total Petroleum Hydrocarbon Criteria Working Group. The integration of petroleum hydrocarbons in a quantitative evaluation of their toxological risk is possible by present methods. This integration allows a reduction in the uncertainty associated with the use of an integrating parameter in the case of these petroleum hydrocarbons in the C(10) to the C(50) range

  18. Kinetic mechanism of plasma-assisted ignition of hydrocarbons

    International Nuclear Information System (INIS)

    Kosarev, I N; Aleksandrov, N L; Kindysheva, S V; Starikovskaia, S M; Starikovskii, A Yu

    2008-01-01

    Ignition of hydrocarbon-containing gaseous mixtures has been studied experimentally and numerically under the action of a high-voltage nanosecond discharge at elevated temperatures. Ignition delay times were measured behind a reflected shock wave in stoichiometric C n H 2n+2 : O 2 mixtures (10%) diluted with Ar (90%) for n = 1-5. It was shown that the application of the gas discharge leads to more than an order of magnitude decrease in ignition delay time for all hydrocarbons under consideration. The measured values of ignition delay time agree well with the results of a numerical simulation of the ignition based on the calculation of atom and radical production during the discharge and in its afterglow. The analysis of simulation results showed that a non-equilibrium plasma favours the ignition mainly due to O atoms produced in the active phase of the discharge. (fast track communication)

  19. GC×GC measurements of C7-C11 aromatic and n-alkane hydrocarbons on Crete, in air from Eastern Europe during the MINOS campaign

    Science.gov (United States)

    Xu, X.; Williams, C.; Plass-Dülmer, H.; Berresheim, H.; Salisbury, G.; Lange, L.; Lelieveld, J.

    2003-09-01

    During the Mediterranean Intensive Oxidant Study (MINOS) campaign in August 2001 gas-phase organic compounds were measured using comprehensive two-dimensional gas chromatography (GCxGC) at the Finokalia ground station, Crete. In this paper, C7-C11 aromatic and n-alkane measurements are presented and interpreted. The mean mixing ratios of the hydrocarbons varied from 1±1 pptv (i-propylbenzene) to 43±36 pptv (toluene). The observed mixing ratios showed strong day-to-day variations and generally higher levels during the first half of the campaign. Mean diel profiles showed maxima at local midnight and late morning, and minima in the early morning and evening. Results from analysis using a simplified box model suggest that both the chemical sink (i.e. reaction with OH) and the variability of source strengths were the causes of the observed variations in hydrocarbon mixing ratios. The logarithms of hydrocarbon concentrations were negatively correlated with the OH concentrations integral over a day prior to the hydrocarbon measurements. Slopes of the regression lines derived from these correlations for different compounds are compared with literature rate constants for their reactions with OH. The slopes for most compounds agree reasonably well with the literature rate constants. A sequential reaction model has been applied to the interpretation of the relationship between ethylbenzene and two of its potential products, i.e. acetophenone and benzeneacetaldehyde. The model can explain the good correlation observed between [acetophenone]/[ethylbenzene] and [benzeneacetaldehyde]/[ethylbenzene]. The model results and field measurements suggest that the reactivity of benzeneacetaldehyde may lie between those of acetophenone and ethylbenzene and that the ratio between yields of acetophenone and benzeneacetaldehyde may be up to 28:1. Photochemical ages of trace gases sampled at Finokalia during the campaign are estimated using the sequential reaction model and related data

  20. On the impact of olefins and aromatics in the methanol-to-hydrocarbon conversion over H-ZSM-5 catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Sun, X.; Mueller, S.; Veen, A.C. van; Lercher, J.A. [Technische Univ. Muenchen, Garching (Germany). Dept. of Chemistry

    2012-07-01

    -feeding scarcely affects the formation pathway of propylene originating mainly from the olefin cycle. On the other hand, the contribution of both cycles to the ethylene formation depends largely on the co-feeding. Aromatics enriched feeds lead to significantly higher ethylene selectivity at the expense of C{sub 3+} hydrocarbons formation. In contrast, olefin co-feeding results in unchanged ethylene and C{sub 3+} selectivity, and within C{sub 3+} fraction, the propene selectivity decreases and C{sub 4=} selectivity is enhanced. In addition to the classical hydride transfer between olefins, a different hydrogen transfer pathway involving methanol-related intermediates seems being in place. (orig.)

  1. Chemical erosion of sintered boron carbide due to H+ impact

    International Nuclear Information System (INIS)

    Davis, J.W.; Haasz, A.A.

    1990-06-01

    The production of hydrocarbons and boron hydrides due to H + bombardment of sintered B 4 C has been investigated as a function of sample temperature and incident ion energy. While hydrocarbon production was observed, the yields were approximately two orders of magnitude smaller than observed for graphite. There was no evidence to indicate the production of any volatile boron-containing compounds. (3 figs., 11 refs.)

  2. Hydrocarbon footprints as a record of bumblebee flower visitation.

    Science.gov (United States)

    Witjes, Sebastian; Eltz, Thomas

    2009-11-01

    Bumblebees leave traces of cuticular hydrocarbons on flowers they visit, with the amount deposited being positively related to the number of visits. We asked whether such footprint hydrocarbons are retained on flowers for sufficiently long periods of time so as to reflect bee visitation in pollination studies. In laboratory experiments, flower corollae (Primula veris, Digitalis grandiflora) visited by Bombus terrestris workers retained bee-derived nonacosenes (C(29)H(58)) in near-unchanged quantities for 24 hours, both at 15 and 25 degrees C. Additionally, synthetic (Z)-9-tricosene applied to flower corollae of the deadnettle Lamium maculatum was retained for 48 hours in an unchanged quantity. In a field survey, the amount of footprint alkenes on flowers of comfrey (Symphytum officinale) plants was positively correlated with the number of bumblebee visits that those plants had received during the day. Together, these data suggest that flowers retain a long-term quantitative record of bumblebee visitation. The analysis of petal extracts by gas chromatography could provide a cheap and reliable way of quantifying bumblebee visits in landscape scale studies of pollination.

  3. Insights into hydrocarbon formation by nitrogenase cofactor homologs.

    Science.gov (United States)

    Lee, Chi Chung; Hu, Yilin; Ribbe, Markus W

    2015-04-14

    The L-cluster is an all-iron homolog of nitrogenase cofactors. Driven by europium(II) diethylenetriaminepentaacetate [Eu(II)-DTPA], the isolated L-cluster is capable of ATP-independent reduction of CO and CN(-) to C1 to C4 and C1 to C6 hydrocarbons, respectively. Compared to its cofactor homologs, the L-cluster generates considerably more CH4 from the reduction of CO and CN(-), which could be explained by the presence of a "free" Fe atom that is "unmasked" by homocitrate as an additional site for methanation. Moreover, the elevated CH4 formation is accompanied by a decrease in the amount of longer hydrocarbons and/or the lengths of the hydrocarbon products, illustrating a competition between CH4 formation/release and C-C coupling/chain extension. These observations suggest the possibility of designing simpler synthetic clusters for hydrocarbon formation while establishing the L-cluster as a platform for mechanistic investigations of CO and CN(-) reduction without complications originating from the heterometal and homocitrate components. Nitrogenase is a metalloenzyme that is highly complex in structure and uniquely versatile in function. It catalyzes two reactions that parallel two important industrial processes: the reduction of nitrogen to ammonia, which parallels the Haber-Bosch process in ammonia production, and the reduction of carbon monoxide to hydrocarbons, which parallels the Fischer-Tropsch process in fuel production. Thus, the significance of nitrogenase can be appreciated from the perspective of the useful products it generates: (i) ammonia, the "fixed" nitrogen that is essential for the existence of the entire human population; and (ii) hydrocarbons, the "recycled" carbon fuel that could be used to directly address the worldwide energy shortage. This article provides initial insights into the catalytic characteristics of various nitrogenase cofactors in hydrocarbon formation. The reported assay system provides a useful tool for mechanistic

  4. Directing-Group-mediated C-H-Alkynylations.

    Science.gov (United States)

    Caspers, Lucien D; Nachtsheim, Boris J

    2018-05-18

    C-C triple bonds are amongst the most versatile functional groups in synthetic chemistry. Complementary to the Sonogashira coupling the direct metal-catalyzed alkynylation of C-H bonds has emerged as a highly promising approach in recent years. To guarantee a high regioselectivity suitable directing groups (DGs) are necessary to guide the transition metal (TM) into the right place. In this Focus Review we present the current developments in DG-mediated C(sp 2 )-H and C(sp 3 )-H modifications with terminal alkynes under oxidative conditions and with electrophilic alkynylation reagents. We will discuss further modifications of the alkyne, in particular subsequent cyclizations to carbo- and heterocycles and modifications of the DG in the presence of the alkyne. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Thermal stability of nanocomposite CrC/a-C:H thin films

    International Nuclear Information System (INIS)

    Gassner, G.; Mayrhofer, P.H.; Patscheider, J.; Mitterer, C.

    2007-01-01

    The thermal stability of low-friction Me-C/a-C:H coatings is important for their potential applications in the tool and automotive industry. Recently we showed that CrC x /a-C:H coatings prepared by unbalanced magnetron sputtering of a Cr target in Ar + CH 4 glow discharges exhibit a nanocomposite structure where metastable fcc CrC nanocrystals are encapsulated by an a-C:H phase. Here, we present the structural evolution of these nanocomposite CrC/a-C:H coatings during annealing. High-temperature X-ray diffraction in vacuum and differential scanning calorimetry (DSC) combined with thermo-gravimetric analysis in Ar atmosphere indicate decomposition of the formed metastable fcc CrC phase and subsequent formation of Cr 3 C 2 and Cr 7 C 3 and structural transformation of the a-C:H matrix phase towards higher sp 2 bonding contents at temperatures above 450 deg. C. Combined DSC and mass spectrometer analysis as well as elemental profiling after annealing in vacuum by elastic recoil detection analysis relate this transformation to the loss of bonded hydrogen at temperatures above 200 deg. C. Due to these structural changes the coefficient of friction depends on the annealing temperature of the nanocomposite a-C:H coatings and shows a minimum of ∼ 0.13 for T = 200 deg. C. The more complex tribochemical reactions, influenced by the hydrogen loss from the coating during in-situ high temperatures ball-on disc tests, result in coefficient of friction values below 0.05 for T < 120 deg. C

  6. First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe(110) surface

    International Nuclear Information System (INIS)

    Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

    2010-01-01

    Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C 2 H 2 molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C 2 H 2 molecules. The most stable site for C 2 H 2 on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C 2 H 2 molecule, the barrier height energies for the C atom, C 2 -dimer and CH as well as the C 2 H 2 molecule are estimated using the nudged elastic band method. The barrier height energy for C 2 H 2 is 0.71 eV and this indicates that the C 2 H 2 diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C 2 H 2 on Fe. The first step is the dissociation of C 2 H 2 into C 2 H and H, and the second step is that of C 2 H into C 2 and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C 2 H 2 into C 2 H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C 2 H 2 . The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C 2 H 2 which characterizes the beginning of the formation of the graphene.

  7. First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe110 surface.

    Science.gov (United States)

    Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

    2010-09-29

    Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C(2)H(2) molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C(2)H(2) molecules. The most stable site for C(2)H(2) on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C(2)H(2) molecule, the barrier height energies for the C atom, C(2)-dimer and CH as well as the C(2)H(2) molecule are estimated using the nudged elastic band method. The barrier height energy for C(2)H(2) is 0.71 eV and this indicates that the C(2)H(2) diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C(2)H(2) on Fe. The first step is the dissociation of C(2)H(2) into C(2)H and H, and the second step is that of C(2)H into C(2) and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C(2)H(2) into C(2)H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C(2)H(2). The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C(2)H(2) which characterizes the beginning of the formation of the graphene.

  8. Halogenation of SiC for band-gap engineering and excitonic functionalization

    Science.gov (United States)

    Drissi, L. B.; Ramadan, F. Z.; Lounis, S.

    2017-11-01

    The optical excitation spectra and excitonic resonances are investigated in systematically functionalized SiC with Fluorine and/or Chlorine utilizing density functional theory in combination with many-body perturbation theory. The latter is required for a realistic description of the energy band-gaps as well as for the theoretical realization of excitons. Structural, electronic and optical properties are scrutinized and show the high stability of the predicted two-dimensional materials. Their realization in laboratory is thus possible. Large band-gaps of the order of 4 eV are found in the so-called GW approximation, with the occurrence of bright excitons, optically active in the four investigated materials. Their binding energies vary from 0.9 eV to 1.75 eV depending on the decoration choice and in one case, a dark exciton is foreseen to exist in the fully chlorinated SiC. The wide variety of opto-electronic properties suggest halogenated SiC as interesting materials with potential not only for solar cell applications, anti-reflection coatings or high-reflective systems but also for a possible realization of excitonic Bose-Einstein condensation.

  9. Nido-Carborane building-block reagents. 2. Bulky-substituent (alkyl)2C2B4H6 derivatives and (C6H5)2C2B4H6: synthesis and properties

    International Nuclear Information System (INIS)

    Boyter, H.A. Jr.; Grimes, R.N.

    1988-01-01

    The preparation and chemistry of nido-2,3-R 2 C 2 C 2 B 4 H 6 carboranes in which R is n-butyl, isopentyl, n-hexyl, and phenyl was investigated in order to further assess the steric and electronic influence of the R groups on the properties of the nido-C 2 B 4 cage, especially with respect to metal complexation at the C 2 B 3 face and metal-promoted oxidative fusion. The three dialkyl derivatives were prepared from the corresponding dialkylacetylenes via reaction with B 5 H 9 and triethylamine, but the diphenyl compound could not be prepared in this manner and was obtained instead in a thermal reaction of B 5 H 9 with diphenylacetylene in the absence of amine. All four carboranes are readily bridge-deprotonated by NaH in THF, and the anions of the dialkyl species, on treatment with FeCl 2 and air oxidation, generate the respective R 4 C 4 B 8 H 8 carborane fusion products were R = n-C 4 H 9 , i-C 5 H 11 or n-C 6 H 13 . The diphenylcarborane anion Ph 2 C 2 B 4 H 5 - did not form detectable metal complexes with Fe 2+ , Co 2+ , or Ni 2+ , and no evidence of a Ph 4 C 4 B 8 H 8 fusion product has been found. Treatment of Ph 2 C 2 B 4 H 6 with Cr(CO) 6 did not lead to metal coordination of the phenyl rings, unlike (PhCH 2 ) 2 C 2 B 4 H 6 , which had previously been shown to form mono- and bis(tricarbonylchromium) complexes. However, the reaction of Ph 2 C 2 B 4 H 5 - , CoCl 2 , and (PhPCH 2 ) 2 did give 1,1-(Ph 2 PCH 2 ) 2 -1-Cl-1,2,3-Co(Ph 2 C 2 B 4 H 4 ), the only case in which metal complexation of the diphenylcarborane was observed. 14 references, 3 figures, 3 tables

  10. A method of refining aromatic hydrocarbons from coal chemical production

    Energy Technology Data Exchange (ETDEWEB)

    Zieborak, K.; Koprowski, A.; Ratajczak, W.

    1979-10-01

    A method is disclosed for refining aromatic hydrocarbons of coal chemical production by contact of liquid aromatic hydrocarbons and their mixtures with a strongly acid macroporous sulfocationite in the H-form at atmospheric pressure and high temperature. The method is distinguished in that the aromatic hydrocarbons and their mixtures, from which alkali compounds have already been removed, are supplied for refinement with the sulfocationite with simultaneous addition of olefin derivatives of aromatic hydrocarbons, followed by separation of pure hydrocarbons by rectification. Styrene or alpha-methylstyrene is used as the olefin derivatives of the aromatic hydrocarbons. The method is performed in several stages with addition of olefin derivatives of aromatic hydrocarbons at each stage.

  11. Coastal flood inundation monitoring with Satellite C-band and L-band Synthetic Aperture Radar data

    Science.gov (United States)

    Ramsey, Elijah W.; Rangoonwala, Amina; Bannister, Terri

    2013-01-01

    Satellite Synthetic Aperture Radar (SAR) was evaluated as a method to operationally monitor the occurrence and distribution of storm- and tidal-related flooding of spatially extensive coastal marshes within the north-central Gulf of Mexico. Maps representing the occurrence of marsh surface inundation were created from available Advanced Land Observation Satellite (ALOS) Phased Array type L-Band SAR (PALSAR) (L-band) (21 scenes with HH polarizations in Wide Beam [100 m]) data and Environmental Satellite (ENVISAT) Advanced SAR (ASAR) (C-band) data (24 scenes with VV and HH polarizations in Wide Swath [150 m]) during 2006-2009 covering 500 km of the Louisiana coastal zone. Mapping was primarily based on a decrease in backscatter between reference and target scenes, and as an extension of previous studies, the flood inundation mapping performance was assessed by the degree of correspondence between inundation mapping and inland water levels. Both PALSAR- and ASAR-based mapping at times were based on suboptimal reference scenes; however, ASAR performance seemed more sensitive to reference-scene quality and other types of scene variability. Related to water depth, PALSAR and ASAR mapping accuracies tended to be lower when water depths were shallow and increased as water levels decreased below or increased above the ground surface, but this pattern was more pronounced with ASAR. Overall, PALSAR-based inundation accuracies averaged 84% (n = 160), while ASAR-based mapping accuracies averaged 62% (n = 245).

  12. Parameterization of L-, C- and X-band Radiometer-based Soil Moisture Retrieval Algorithm Using In-situ Validation Sites

    Science.gov (United States)

    Gao, Y.; Colliander, A.; Burgin, M. S.; Walker, J. P.; Chae, C. S.; Dinnat, E.; Cosh, M. H.; Caldwell, T. G.

    2017-12-01

    Passive microwave remote sensing has become an important technique for global soil moisture estimation over the past three decades. A number of missions carrying sensors at different frequencies that are capable for soil moisture retrieval have been launched. Among them, there are Japan Aerospace Exploration Agency's (JAXA's) Advanced Microwave Scanning Radiometer-EOS (AMSR-E) launched in May 2002 on the National Aeronautics and Space Administration (NASA) Aqua satellite (ceased operation in October 2011), European Space Agency's (ESA's) Soil Moisture and Ocean Salinity (SMOS) mission launched in November 2009, JAXA's Advanced Microwave Scanning Radiometer 2 (AMSR2) onboard the GCOM-W satellite launched in May 2012, and NASA's Soil Moisture Active Passive (SMAP) mission launched in January 2015. Therefore, there is an opportunity to develop a consistent inter-calibrated long-term soil moisture data record based on the availability of these four missions. This study focuses on the parametrization of the tau-omega model at L-, C- and X-band using the brightness temperature (TB) observations from the four missions and the in-situ soil moisture and soil temperature data from core validation sites across various landcover types. The same ancillary data sets as the SMAP baseline algorithm are applied for retrieval at different frequencies. Preliminary comparison of SMAP and AMSR2 TB observations against forward-simulated TB at the Yanco site in Australia showed a generally good agreement with each other and higher correlation for the vertical polarization (R=0.96 for L-band and 0.93 for C- and X-band). Simultaneous calibrations of the vegetation parameter b and roughness parameter h at both horizontal and vertical polarizations are also performed. Finally, a set of model parameters for successfully retrieving soil moisture at different validation sites at L-, C- and X-band respectively are presented. The research described in this paper is supported by the Jet Propulsion

  13. The evolution of the rest-frame J- and H-band luminosity function of galaxies to z=3.5

    OpenAIRE

    Stefanon, Mauro; Marchesini, Danilo

    2011-01-01

    We present the rest-frame J- and H-band luminosity function (LF) of field galaxies, based on a deep multi-wavelength composite sample from the MUSYC, FIRES and FIREWORKS survey public catalogues, covering a total area of 450 arcmin^2. The availability of flux measurements in the Spitzer IRAC 3.6, 4.5, 5.8, and 8 um channels allows us to compute absolute magnitudes in the rest-frame J and H bands up to z=3.5 minimizing the dependence on the stellar evolution models. We compute the LF in the fo...

  14. Low temperature removal of surface oxides and hydrocarbons from Ge(100) using atomic hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Walker, M., E-mail: m.walker@warwick.ac.uk; Tedder, M.S.; Palmer, J.D.; Mudd, J.J.; McConville, C.F.

    2016-08-30

    Highlights: • Preparation of a clean, well-ordered Ge(100) surface with atomic hydrogen. • Surface oxide layers removed by AHC at room temperature, but not hydrocarbons. • Increasing surface temperature during AHC dramatically improves efficiency. • AHC with the surface heated to 250 °C led to a near complete removal of contaminants. • (2 × 1) LEED pattern from IBA and AHC indicates asymmetric dimer reconstruction. - Abstract: Germanium is a group IV semiconductor with many current and potential applications in the modern semiconductor industry. Key to expanding the use of Ge is a reliable method for the removal of surface contamination, including oxides which are naturally formed during the exposure of Ge thin films to atmospheric conditions. A process for achieving this task at lower temperatures would be highly advantageous, where the underlying device architecture will not diffuse through the Ge film while also avoiding electronic damage induced by ion irradiation. Atomic hydrogen cleaning (AHC) offers a low-temperature, damage-free alternative to the common ion bombardment and annealing (IBA) technique which is widely employed. In this work, we demonstrate with X-ray photoelectron spectroscopy (XPS) that the AHC method is effective in removing surface oxides and hydrocarbons, yielding an almost completely clean surface when the AHC is conducted at a temperature of 250 °C. We compare the post-AHC cleanliness and (2 × 1) low energy electron diffraction (LEED) pattern to that obtained via IBA, where the sample is annealed at 600 °C. We also demonstrate that the combination of a sample temperature of 250 °C and atomic H dosing is required to clean the surface. Lower temperatures prove less effective in removal of the oxide layer and hydrocarbons, whilst annealing in ultra-high vacuum conditions only removes weakly bound hydrocarbons. Finally, we examine the subsequent H-termination of an IBA-cleaned sample using XPS, LEED and ultraviolet

  15. Challenges with space-time rainfall in urban hydrology highlighted with a semi-distributed model using C-band and X-band radar data

    Science.gov (United States)

    da Silva Rocha Paz, Igor; Ichiba, Abdellah; Skouri-Plakali, Ilektra; Lee, Jisun; Gires, Auguste; Tchiguirinskaia, Ioulia; Schertzer, Daniel

    2017-04-01

    Climate change and global warming are expected to make precipitation events more frequent, more severe and more local. This may have serious consequences for human health, the environment, cultural heritage, economic activities, utilities and public service providers. Then precipitation risk and water management is a key challenge for densely populated urban areas. Applications derived from high (time and space) resolution observation of precipitations are to make our cities more weather-ready. Finer resolution data available from X-band dual radar measurements enhance engineering tools as used for urban planning policies as well as protection (mitigation/adaptation) strategies to tackle climate-change related weather events. For decades engineering tools have been developed to work conveniently either with very local rain gauge networks, or with mainly C-band weather radars that have gradually been set up for space-time remote sensing of precipitation. Most of the time, the C-band weather radars continue to be calibrated by the existing rain gauge networks. Inhomogeneous distributions of rain gauging networks lead to only a partial information on the rainfall fields. In fact, the statistics of measured rainfall is strongly biased by the fractality of the measuring networks. This fractality needs to be properly taken in to account to retrieve the original properties of the rainfall fields, in spite of the radar data calibration. In this presentation, with the help of multifractal analysis, we first demonstrate that the semi-distributed hydrological models statistically reduce the rainfall fields into rainfall measured by a much scarcer network of virtual rain gauges. For this purpose, we use C-band and X-band radar data. The first has a resolution of 1 km in space and 5 min in time and is in fact a product provided by RHEA SAS after treating the Météo-France C-band radar data. The latter is measured by the radar operated at Ecole des Ponts and has a resolution of

  16. Induction of c-Jun by air particulate matter (PM₁₀) of Mexico city: Participation of polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Salcido-Neyoy, Martha Estela; Sánchez-Pérez, Yesennia; Osornio-Vargas, Alvaro Román; Gonsebatt, María Eugenia; Meléndez-Zajgla, Jorge; Morales-Bárcenas, Rocío; Petrosyan, Pavel; Molina-Servin, Edith Danny; Vega, Elizabeth; Manzano-León, Natalia; García-Cuellar, Claudia M

    2015-08-01

    The carcinogenic potential of urban particulate matter (PM) has been partly attributed to polycyclic aromatic hydrocarbons (PAHs) content, which activates the aryl hydrocarbon receptor (AhR). Here we report the effect of PM with an aerodynamic size of 10 μm (PM10) on the induction of AhR pathway in A549 cells, evaluating its downstream targets CYP1B1, IL-6, IL-8 and c-Jun. Significant increases in CYP1B1 protein and enzyme activity; IL-6 and IL-8 secretion and c-Jun protein were found in response to PM10. The formation of PAH-DNA adducts was also detected. The involvement of AhR pathway was confirmed with Resveratrol as AhR antagonist, which reversed CYP1B1 and c-Jun induction. Nevertheless, in IL-6 and IL-8 secretion, the Resveratrol was ineffective, suggesting an effect independent of this pathway. Considering the role of c-Jun in oncogenesis, its induction by PM may be contributing to its carcinogenic potential through induction of AhR pathway by PAHs present in PM10. Copyright © 2015 Elsevier Ltd. All rights reserved.

  17. Interaction between poly(vinyl pyrrolidone) PVP and fullerene C60 at the interface in PVP-C60 nanofluids–A spectroscopic study

    Science.gov (United States)

    Behera, M.; Ram, S.

    2018-03-01

    Fourier transform infrared and Raman bands shows a discernible enhancement in band intensity of C–H stretching, C=O stretching, C–N stretching, C–H2 bending, and C–H2 in-plane bending in PVP molecules in the presence of C60 molecules. Amplification in intensity is ascribed to microscopic interactions results when a donation of nonbonding electron (n) occurs from a “>N–C=O” entity of PVP into a lowest unoccupied molecular orbital of the C60 molecule in PVP-C60 charge transfer (CT) complex. The C=O stretching band intensity (integrated) Vs C60 content plot exhibits a peak near a critical 13.9 μM C60 value owing to percolation effect. Light emission spectra show that even a small addition of 4.63 μM C60 able to suppress the band intensity by ~23% as a result of an energy loss. The integrated band intensity also decreases through a peak near 13.9 μM when plotted against the C60-content. In correlation to the vibration spectra, the maximum effect observed both in light emission and excitation spectra suggests a percolation effect in the CT complex. Exhibition of percolation threshold in C60-PVP donor-acceptor complex will be helpful in optimizing the photovoltaic properties vital for solar cell applications.

  18. Electrooxidative Ruthenium-Catalyzed C-H/O-H Annulation by Weak O-Coordination.

    Science.gov (United States)

    Qiu, Youai; Tian, Cong; Massignan, Leonardo; Rogge, Torben; Ackermann, Lutz

    2018-05-14

    Electrocatalysis has been identified as a powerful strategy for organometallic catalysis, and yet electrocatalytic C-H activation is restricted to strongly N-coordinating directing groups. The first example of electrocatalytic C-H activation by weak O-coordination is presented, in which a versatile ruthenium(II) carboxylate catalyst enables electrooxidative C-H/O-H functionalization for alkyne annulations in the absence of metal oxidants; thereby exploiting sustainable electricity as the sole oxidant. Mechanistic insights provide strong support for a facile organometallic C-H ruthenation and an effective electrochemical reoxidation of the key ruthenium(0) intermediate. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Hydrodeoxygenation processes: advances on catalytic transformations of biomass-derived platform chemicals into hydrocarbon fuels.

    Science.gov (United States)

    De, Sudipta; Saha, Basudeb; Luque, Rafael

    2015-02-01

    Lignocellulosic biomass provides an attractive source of renewable carbon that can be sustainably converted into chemicals and fuels. Hydrodeoxygenation (HDO) processes have recently received considerable attention to upgrade biomass-derived feedstocks into liquid transportation fuels. The selection and design of HDO catalysts plays an important role to determine the success of the process. This review has been aimed to emphasize recent developments on HDO catalysts in effective transformations of biomass-derived platform molecules into hydrocarbon fuels with reduced oxygen content and improved H/C ratios. Liquid hydrocarbon fuels can be obtained by combining oxygen removal processes (e.g. dehydration, hydrogenation, hydrogenolysis, decarbonylation etc.) as well as by increasing the molecular weight via C-C coupling reactions (e.g. aldol condensation, ketonization, oligomerization, hydroxyalkylation etc.). Fundamentals and mechanistic aspects of the use of HDO catalysts in deoxygenation reactions will also be discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Zeolitic catalytic conversion of alcohols to hydrocarbons

    Science.gov (United States)

    Narula, Chaitanya K.; Davison, Brian H.; Keller, Martin

    2018-04-10

    A method for converting an alcohol to a hydrocarbon, the method comprising contacting said alcohol with a metal-loaded zeolite catalyst at a temperature of at least 100.degree. C. and up to 550.degree. C., wherein said alcohol can be produced by a fermentation process, said metal is a positively-charged metal ion, and said metal-loaded zeolite catalyst is catalytically active for converting said alcohol to said hydrocarbon.

  1. Zeolitic catalytic conversion of alochols to hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Narula, Chaitanya K.; Davison, Brian H.; Keller, Martin

    2017-01-03

    A method for converting an alcohol to a hydrocarbon, the method comprising contacting said alcohol with a metal-loaded zeolite catalyst at a temperature of at least 100.degree. C. and up to 550.degree. C., wherein said alcohol can be produced by a fermentation process, said metal is a positively-charged metal ion, and said metal-loaded zeolite catalyst is catalytically active for converting said alcohol to said hydrocarbon.

  2. Laboratory Gas-phase Infrared Spectra of Two Astronomically Relevant PAH Cations: Diindenoperylene, {{\\rm{C}}}_{32}{{\\rm{H}}}_{16}^{+} and Dicoronylene, {{\\rm{C}}}_{48}{{\\rm{H}}}_{20}^{+}

    Science.gov (United States)

    Zhen, Junfeng; Candian, Alessandra; Castellanos, Pablo; Bouwman, Jordy; Linnartz, Harold; Tielens, Alexander G. G. M.

    2018-02-01

    The first gas-phase infrared spectra of two isolated astronomically relevant and large polycyclic aromatic hydrocarbon (PAH) cations—diindenoperylene (DIP) and dicoronylene (DC)—in the 530–1800 cm‑1 (18.9‑5.6 μm) range—are presented. Vibrational band positions are determined for comparison to the aromatic infrared bands. The spectra are obtained via infrared multiphoton dissociation spectroscopy of ions stored in a quadrupole ion trap using the intense and tunable radiation of the free electron laser for infrared experiments (FELIX). DIP+ shows its main absorption peaks at 737 (13.57), 800 (12.50), 1001 (9.99), 1070 (9.35), 1115 (8.97), 1152 (8.68), 1278 (7.83), 1420 (7.04), and 1550 (6.45) cm‑1(μm), in good agreement with density functional theory (DFT) calculations that are uniformly scaled to take anharmonicities into account. DC+ has its main absorption peaks at 853 (11.72), 876 (11.42), 1032 (9.69), 1168 (8.56), 1300 (7.69), 1427 (7.01), and 1566 (6.39) cm‑1(μm), which also agree well with the scaled DFT results presented here. The DIP+ and DC+ spectra are compared with the prominent infrared features observed toward NGC 7023. This results both in matches and clear deviations. Moreover, in the 11.0–14.0 μm region, specific bands can be linked to CH out-of-plane (oop) bending modes of different CH edge structures in large PAHs. The molecular origin of these findings and their astronomical relevance are discussed.

  3. DNA-Binding Study of Tetraaqua-bis(p-nitrobenzoatocobalt(II Dihydrate Complex: [Co(H2O4(p-NO2C6H4COO2]·2H2O

    Directory of Open Access Journals (Sweden)

    Hacali Necefoglu

    2007-06-01

    Full Text Available The interaction of [Co(H2O4(p-NO2C6H4COO2]. 2H2O with sheep genomicDNA has been investigated by spectroscopic studies and electrophoresis measurements.The interaction between cobalt(II p-nitrobenzoate and DNA has been followed by gelelectrophoresis while the concentration of the complex was increased from 0 to 14 mM.The spectroscopic study and electrophoretic experiments support the fact that the complexbinds to DNA by intercalation via p-nitrobenzoate into the base pairs of DNA. Themobility of the bands decreased as the concentration of complex was increased, indicatingthat there was increase in interaction between the metal ion and DNA.

  4. Optimization and determination of polycyclic aromatic hydrocarbons in biochar-based fertilizers.

    Science.gov (United States)

    Chen, Ping; Zhou, Hui; Gan, Jay; Sun, Mingxing; Shang, Guofeng; Liu, Liang; Shen, Guoqing

    2015-03-01

    The agronomic benefit of biochar has attracted widespread attention to biochar-based fertilizers. However, the inevitable presence of polycyclic aromatic hydrocarbons in biochar is a matter of concern because of the health and ecological risks of these compounds. The strong adsorption of polycyclic aromatic hydrocarbons to biochar complicates their analysis and extraction from biochar-based fertilizers. In this study, we optimized and validated a method for determining the 16 priority polycyclic aromatic hydrocarbons in biochar-based fertilizers. Results showed that accelerated solvent extraction exhibited high extraction efficiency. Based on a Box-Behnken design with a triplicate central point, accelerated solvent extraction was used under the following optimal operational conditions: extraction temperature of 78°C, extraction time of 17 min, and two static cycles. The optimized method was validated by assessing the linearity of analysis, limit of detection, limit of quantification, recovery, and application to real samples. The results showed that the 16 polycyclic aromatic hydrocarbons exhibited good linearity, with a correlation coefficient of 0.996. The limits of detection varied between 0.001 (phenanthrene) and 0.021 mg/g (benzo[ghi]perylene), and the limits of quantification varied between 0.004 (phenanthrene) and 0.069 mg/g (benzo[ghi]perylene). The relative recoveries of the 16 polycyclic aromatic hydrocarbons were 70.26-102.99%. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. A chemical definition of the effective reducing power of thulium(II) diiodide by its reactions with cyclic unsaturated hydrocarbons.

    Science.gov (United States)

    Fedushkin, I L; Bochkarev, M N; Dechert, S; Schumann, H

    2001-08-17

    Thulium diiodide reduces cyclic aromatic hydrocarbons that have reduction potentials more positive than - 2.0 V versus SCE. Thus, TmI2 reacts with cyclooctatetraene or acenaphthylene in THF, or with lithium anthracenide in 1,2-dimethoxyethane (DME) to give thulium triiodide and the thulium(III) complexes [(eta8-C8H8)TmI(thf)2] (1), rac-ansa-[(eta5-C12H8)2TmI(thf)] (2), or [(eta2-C14H10)TmI-(dme)2] (3), respectively. The molecular structures of 1-3 were determined by single-crystal X-ray diffraction.

  6. Fast Homoepitaxial Growth of 4H-SiC Films on 4° off-Axis Substrates in a SiH4-C2H4-H2 System

    International Nuclear Information System (INIS)

    Liu Bin; Sun Guo-Sheng; Liu Xing-Fang; Zhang Feng; Dong Lin; Zheng Liu; Yan Guo-Guo; Liu Sheng-Bei; Zhao Wan-Shun; Wang Lei; Zeng Yi-Ping; Wang Zhan-Guo; Li Xi-Guang; Yang Fei

    2013-01-01

    Homoepitaxial growth of 4H-SiC epilayers is conducted in a SiH 4 -C 2 H 4 -H 2 system by low pressure hot-wall vertical chemical vapor deposition (CVD). Thick epilayers of 45 μm are achieved at a high growth rate up to 26 μm/h under an optimized growth condition, and are characterized by using a Normaski optical microscope, a scanning electronic microscope (SEM), an atomic force microscope (AFM) and an x-ray diffractometer (XRD), indicating good crystalline quality with mirror-like smooth surfaces and an rms roughness of 0.9 nm in a 5 μm × 5μm area. The dependence of the 4H-SiC growth rate on growth conditions on 4° off-axis 4H-SiC substrates and its mechanism are investigated. It is found that the H 2 flow rate could influence the surface roughness, while good surface morphologies without Si droplets and epitaxial defects such as triangular defects could be obtained by increasing temperature

  7. Sensitivity of C-Band Polarimetric Radar-Based Drop Size Distribution Measurements to Maximum Diameter Assumptions

    Science.gov (United States)

    Carey, Lawrence D.; Petersen, Walter A.

    2011-01-01

    The estimation of rain drop size distribution (DSD) parameters from polarimetric radar observations is accomplished by first establishing a relationship between differential reflectivity (Z(sub dr)) and the central tendency of the rain DSD such as the median volume diameter (D0). Since Z(sub dr) does not provide a direct measurement of DSD central tendency, the relationship is typically derived empirically from rain drop and radar scattering models (e.g., D0 = F[Z (sub dr)] ). Past studies have explored the general sensitivity of these models to temperature, radar wavelength, the drop shape vs. size relation, and DSD variability. Much progress has been made in recent years in measuring the drop shape and DSD variability using surface-based disdrometers, such as the 2D Video disdrometer (2DVD), and documenting their impact on polarimetric radar techniques. In addition to measuring drop shape, another advantage of the 2DVD over earlier impact type disdrometers is its ability to resolve drop diameters in excess of 5 mm. Despite this improvement, the sampling limitations of a disdrometer, including the 2DVD, make it very difficult to adequately measure the maximum drop diameter (D(sub max)) present in a typical radar resolution volume. As a result, D(sub max) must still be assumed in the drop and radar models from which D0 = F[Z(sub dr)] is derived. Since scattering resonance at C-band wavelengths begins to occur in drop diameters larger than about 5 mm, modeled C-band radar parameters, particularly Z(sub dr), can be sensitive to D(sub max) assumptions. In past C-band radar studies, a variety of D(sub max) assumptions have been made, including the actual disdrometer estimate of D(sub max) during a typical sampling period (e.g., 1-3 minutes), D(sub max) = C (where C is constant at values from 5 to 8 mm), and D(sub max) = M*D0 (where the constant multiple, M, is fixed at values ranging from 2.5 to 3.5). The overall objective of this NASA Global Precipitation Measurement

  8. Improving the back surface field on an amorphous silicon carbide (a-SiC:H) thin film photocathode for solar water splitting

    NARCIS (Netherlands)

    Perez Rodriguez, P.; Cardenas-Morcoso, Drialys; Digdaya, I.A.; Mangel Raventos, A.; Procel Moya, P.A.; Isabella, O.; Gimenez, Sixto; Zeman, M.; Smith, W.A.; Smets, A.H.M.

    2018-01-01

    Amorphous silicon carbide (a-SiC:H) is a promising material for photoelectrochemical water splitting owing to its relatively small band-gap energy and high chemical and optoelectrical stability. This work studies the interplay between charge-carrier separation and collection, and their injection

  9. The bulk isotopic composition of hydrocarbons in subaerial volcanic-hydrothermal emissions from different tectonic settings

    Science.gov (United States)

    Fiebig, J.; Tassi, F.; Vaselli, O.; Viveiros, M. F.; Silva, C.; Lopez, T. M.; D'Alessandro, W.; Stefansson, A.

    2015-12-01

    Assuming that methane and its higher chain homologues derive from a common source, carbon isotope patterns have been applied as a criterion to identify occurrences of abiogenic hydrocarbons. Based on these, it has been postulated that abiogenic hydrocarbon production occurs within several (ultra)mafic environments. More evolved volcanic-hydrothermal systems may also provide all the prerequisites necessary for abiogenic hydrocarbon production, such as availability of inorganic CO2, hydrogen and heat. We have investigated the chemical and isotopic composition of n-alkanes contained within subaerial hydrothermal discharges emitted from a range of hot spot, subduction and rift-related volcanoes to determine the origin of hydrocarbons in these systems. Amongst these are Nisyros (Greece), Vesuvio, Campi Flegrei, Ischia, Pantelleria and Vulcano (all Italy), Mt. Mageik and Trident (USA), Copahue (Argentina), Teide (Spain), Furnas and Fogo (Portugal). The carbon isotopic composition of methane emitted from these sites varies from -65 to -8‰ , whereas δ13C of ethane and propane exhibit a much narrower variation from -17‰ to -31‰. Methane that occurs most enriched in 13C is also characterized by relatively positive δD values ranging up to -80‰. Carbon isotope reversals between methane and ethane are only observed for locations exhibiting δ13C-CH4 values > -20‰, such as Teide, Pantelleria, Trident and Furnas. At Furnas, δ13C-CH4 varies by 50‰ within a relatively short distance of <50m between two vents, whereas δ13C-C2H6 varies by less than 2‰ only. For some of the investigated locations apparent carbon isotopic temperatures between methane and CO2 are in agreement with those derived from gas concentration geothermometers. At these locations methane, however seems to be in disequilibrium with ethane and propane. These findings imply that methane on the one hand and the C2+ hydrocarbons on the other hand often might derive from distinct sources.

  10. Mineralisation of target hydrocarbons in three contaminated soils from former refinery facilities.

    Science.gov (United States)

    Towell, Marcie G; Bellarby, Jessica; Paton, Graeme I; Coulon, Frédéric; Pollard, Simon J T; Semple, Kirk T

    2011-02-01

    This study investigated the microbial degradation of (14)C-labelled hexadecane, octacosane, phenanthrene and pyrene and considered how degradation might be optimised in three genuinely hydrocarbon-contaminated soils from former petroleum refinery sites. Hydrocarbon mineralisation by the indigenous microbial community was monitored over 23 d. Hydrocarbon mineralisation enhancement by nutrient amendment (biostimulation), hydrocarbon degrader addition (bioaugmentation) and combined nutrient and degrader amendment, was also explored. The ability of indigenous soil microflora to mineralise (14)C-target hydrocarbons was appreciable; ≥ 16% mineralised in all soils. Generally, addition of nutrients or degraders increased the rates and extents of mineralisation of (14)C-hydrocarbons. However, the addition of nutrients and degraders in combination had a negative effect upon (14)C-octacosane mineralisation and resulted in lower extents of mineralisation in the three soils. In general, the rates and extents of mineralisation will be dependent upon treatment type, nature of the contamination and adaptation of the ingenious microbial community. Copyright © 2010 Elsevier Ltd. All rights reserved.

  11. Evaluation of the performance and response of the bacharach TLV sniffer and H-Nu photoionization gas analyzer to common hydrocarbon solvents.

    Science.gov (United States)

    Chelton, C F; Zakraysek, N; Lautner, G M; Confer, R G

    1983-10-01

    Two direct reading instruments, the H-Nu PI 101 photoionization analyzer and the J.W. Bacharach TLV Sniffer, were evaluated under laboratory conditions to determine their performance characteristics when challenged by vapors of common hydrocarbon solvent mixtures. Each instrument was evaluated against the manufacturer's recommended test solvent for rise time, fall time, noise, span drift, zero drift, position sensitivity, battery life, and recharge time. The precision, accuracy, and operating linear range were also determined for the test solvents and some petroleum solvent mixtures which are common refinery products. For these latter mixtures, correction factors are presented which allow for an improved estimate of ambient concentrations when monitoring with each of these instruments. All tests except operating humidity range were performed by challenging each instrument with a known concentration of hydrocarbon generated by evaporating calculated liquid volumes into a static chamber. Humidity tests were performed using a dynamic dilution apparatus generating a fixed concentration of hydrocarbon while relative humidity was varied. Concentrations in both systems were verified by gas injection into gas chromatograph. Each instrument performed well when challenged by manufacturers' recommended test solvents. Humidity was shown to influence each instrument's readings. Also, the instruments were shown to have application as monitors of airborne concentrations of common hydrocarbon solvent mixtures.

  12. Radioisotopic Study of Methanol Transformation over H- and Fe-Beta Zeolites; Influence of Si/Al Ratio on Distribution of Products

    International Nuclear Information System (INIS)

    Sarkadi-Priboczki, E.; Kovacs, Z.; Kumar, N.; Murzin, D.Yu.

    2006-01-01

    Complete text of publication follows. The acid-basic properties of Beta zeolite can be modified by dealumination and/or ionexchange. The wide-pore H-Beta zeolite has strong Bronsted acid sites and other chemical environment which govern adsorption and conversion of methanol to dimethyl ether and hydrocarbons during catalysis [1-2]. Partly Fe-ion-exchanged Beta i.e. Fe-H-Beta zeolite keeps this behavior to a certain extent; however, the presence of Fe ions can modify the reaction pathway. In the present work, the methanol conversion was studied over H- and Fe-Beta zeolites at two different Si/Al ratios. 11 C-methanol was used to follow-up adsorption as well as desorption of methanol and its derivates. Therefore, a radioactivity detector was integrated to the gas chromatograph for exact identification of the labelled methanol and its derivates. H-Beta and Fe-Beta zeolites were applied at two different Si/Al ratios i.e. H-Beta(25) and H-Beta(300) and Fe-H-Beta(25) and Fe- H-Beta (300), respectively. A glass tube fixed-bed reactor was used as a closed static reactor. The 11 C-radioisotope (T 1/2 =20.4 min) was produced in 11 C-labelled carbon dioxide form by cyclotron. The 11 C-methanol tracer was produced by radiochemical process [3]. The mixture of 11 C-methanol and non-radioactive methanol was then introduced into zeolite by He gas flow. The volatile products of catalytic conversion of 11 C-methanol were analyzed by radio-gas chromatography (gas chromatograph with flame ionization detector (FID) coupled on-line with a radioactivity detector). The methanol conversion rate and product selectivities to dimethyl ether, hydrocarbons (methane, C 2 -C 6 olefins and paraffins), formaldehyde and carbon-oxides were measured and calculated over H- and Fe-Beta zeolites at two different Si/Al ratios at 250 and 350 deg C. Over H-Beta(25) C 2 -C 6 hydrocarbons (mostly as alkanes) with high conversion rate and some dimethyl ether were detected due to presence of strong Bronsted

  13. Update from the Analysis of High Resolution Propane Spectra and the Interpretation of Titan's Infrared Spectra

    Science.gov (United States)

    Klavans, V.; Nixon, C.; Hewagama, T.; Jennings, D. E.

    2012-01-01

    Titan has an extremely thick atmosphere dominated by nitrogen, but includes a range of trace species such as hydrocarbons and nitriles. One such hydrocarbon is propane (C3H8). Propane has 21 active IR bands covering broad regions of the mid-infrared. Therefore, its ubiquitous signature may potentially mask weaker signatures of other undetected species with important roles in Titan's chemistry. Cassini's Composite Infrared Spectrometer (CIRS) observations of Titan's atmosphere hint at the presence of such molecules. Unfortunately, C3H8 line atlases for the vibration bands V(sub 8), V(sub 21), V(sub 20), and V(sub 7) (869, 922, 1054, and 1157 per centimeter, respectively) are not currently available for subtracting the C3H8 signal to reveal, or constrain, the signature of underlying chemical species. Using spectra previously obtained by Jennings, D. E., et al. at the McMath-Pierce FTIR at Kitt Peak, AZ, as the source and automated analysis utilities developed for this application, we are compiling an atlas of spectroscopic parameters for propane that characterize the ro-vibrational transitions in the above bands. In this paper, we will discuss our efforts for inspecting and fitting the aforementioned bands, present updated results for spectroscopic parameters including absolute line intensities and transition frequencies in HITRAN and GEISA formats, and show how these optical constants will be used in searching for other trace chemical species in Titan's atmosphere. Our line atlas for the V(sub 21) band contains a total number of 2971 lines. The band integrated strength calculated for the V(sub 21) band is 1.003 per centimeter per (centimeter-atm).

  14. Study of the fragmentation of astrophysical interest molecules (C{sub n}H{sub m}) induced by high velocity collision; Etude de la fragmentation de molecules d'interet astrophysique de type C{sub n}H{sub m} par collision atomique de haute vitesse

    Energy Technology Data Exchange (ETDEWEB)

    Tuna, Th

    2008-07-15

    This work shows the study of atom-molecule collision processes in the high velocity domain (v=4,5 a.u). The molecules concerned by this work are small unsaturated hydrocarbons C{sub 1-4}H and C{sub 3}H{sub 2}. Molecules are accelerated with the Tandem accelerator in Orsay and their fragmentation is analyzed by the 4{pi}, 100% efficient detector, AGAT. Thanks to a shape analysis of the current signal from the silicon detectors in association with the well known grid method, we are able to measure all the fragmentation channels of the incident molecule. These dissociation measurements have been introduced in the modelization of two objects of the interstellar medium in which a lot of hydrocarbon molecules have been observed (TMC1, horse-head nebula). We have extended our branching ratios obtained by high velocity collision to other electronic processes included in the chemical database like photodissociation and dissociative recombination. This procedure is feasible under an assumption of the statistical point of view of the molecular fragmentation. The deviations following our modification are very small in the modelization of TMC1 but significant in the photodissociation region. The first part is dedicated to the description of the experimental setting that has enabled us to study the fragmentation of C{sub n}H{sub m} molecules: the Orsay's Tandem accelerator and the Agat detector. The second part deals with negative ion sources and particularly with the Sahat source that is based on electronic impact and has shown good features for the production of anions and correct stability for its use with accelerators. The third part is dedicated to the experimental results in terms of cross-sections, number of fragments and branching ratios, associated to the various collisional processes. The last part presents an application of our measurement of fragmentation data to astro-chemistry. In this field, the simulation codes of the inter-stellar medium require databases

  15. Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography

    NARCIS (Netherlands)

    Haftka, J.J.H.; Parsons, J.R.; Govers, H.A.J.

    2006-01-01

    A gas chromatographic method using Kovats retention indices has been applied to determine the liquid vapour pressure (P-i), enthalpy of vaporization (Delta H-i) and difference in heat capacity between gas and liquid phase (Delta C-i) for a group of polycyclic aromatic hydrocarbons (PAHs). This group

  16. C-Band Airport Surface Communications System Engineering-Initial High-Level Safety Risk Assessment and Mitigation

    Science.gov (United States)

    Zelkin, Natalie; Henriksen, Stephen

    2011-01-01

    This document is being provided as part of ITT's NASA Glenn Research Center Aerospace Communication Systems Technical Support (ACSTS) contract: "New ATM Requirements--Future Communications, C-Band and L-Band Communications Standard Development." ITT has completed a safety hazard analysis providing a preliminary safety assessment for the proposed C-band (5091- to 5150-MHz) airport surface communication system. The assessment was performed following the guidelines outlined in the Federal Aviation Administration Safety Risk Management Guidance for System Acquisitions document. The safety analysis did not identify any hazards with an unacceptable risk, though a number of hazards with a medium risk were documented. This effort represents an initial high-level safety hazard analysis and notes the triggers for risk reassessment. A detailed safety hazards analysis is recommended as a follow-on activity to assess particular components of the C-band communication system after the profile is finalized and system rollout timing is determined. A security risk assessment has been performed by NASA as a parallel activity. While safety analysis is concerned with a prevention of accidental errors and failures, the security threat analysis focuses on deliberate attacks. Both processes identify the events that affect operation of the system; and from a safety perspective the security threats may present safety risks.

  17. Hydrogen production by reforming of hydrocarbons and alcohols in a dielectric barrier discharge

    Energy Technology Data Exchange (ETDEWEB)

    Sarmiento, Belen; Brey, J. Javier; Viera, Inmaculada G. [Hynergreen Technologies, S.A. Avda. de la Buhaira, 2. 41018 Sevilla (Spain); Gonzalez-Elipe, Agustin R.; Cotrino, Jose; Rico, Victor J. [Instituto de Ciencia de los Materiales de Sevilla (CSIC-University Sevilla), Avda. Americo Vespucio, 49, 41092 Sevilla (Spain)

    2007-06-10

    This work reports about the use of plasmas to obtain hydrogen by reforming of hydrocarbons or alcohols in mixtures with CO{sub 2} or H{sub 2}O. The plasma is activated in a dielectric barrier discharge (DBD) reactor working at atmospheric pressure and low temperatures (i.e., about 100 C). The reactor presents a great versatility in operation and a low manufacturing cost. Results are presented for the reforming of methane, methanol and ethanol. Methane transforms up to a 70% into CO and H{sub 2} without formation of any kind of superior hydrocarbon. For the two alcohols 100% conversion into the same products is found for flows much higher than in the case of methane. The work reports a description of the reactor and the operational conditions of the power supply enabling the ignition of the plasma and its steady state operation. (author)

  18. The NASA Ames Polycyclic Aromatic Hydrocarbon Infrared Spectroscopic Database : The Computed Spectra

    NARCIS (Netherlands)

    Bauschlicher, C. W.; Boersma, C.; Ricca, A.; Mattioda, A. L.; Cami, J.; Peeters, E.; de Armas, F. Sanchez; Saborido, G. Puerta; Hudgins, D. M.; Allamandola, L. J.

    The astronomical emission features, formerly known as the unidentified infrared bands, are now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory experiments and computational modeling done at the NASA Ames Research Center to create a collection of PAH IR spectra relevant

  19. On-line database of the spectral properties of polycyclic aromatic hydrocarbons

    International Nuclear Information System (INIS)

    Malloci, Giuliano; Joblin, Christine; Mulas, Giacomo

    2007-01-01

    We present an on-line database of computed molecular properties for a large sample of polycyclic aromatic hydrocarbons in four charge states: -1, 0, +1, and +2. At present our database includes 40 molecules ranging in size from naphthalene and azulene (C 10 H 8 ) up to circumovalene (C 66 H 20 ). We performed our calculations in the framework of the density functional theory (DFT) and the time-dependent DFT to obtain the most relevant molecular parameters needed for astrophysical applications. For each molecule in the sample, our database presents in a uniform way the energetic, rotational, vibrational, and electronic properties. It is freely accessible on the web at (http://astrochemistry.ca.astro.it/database/) and (http://www.cesr.fr/~joblin/database/)

  20. a-Si:H/c-Si heterojunction front- and back contacts for silicon solar cells with p-type base

    Energy Technology Data Exchange (ETDEWEB)

    Rostan, Philipp Johannes

    2010-07-01

    inherent a-Si:H/c-Si band offset distribution with a low conduction band offset and a large valence band offset is disadvantageous for p-c-Si heterojunction solar cells if compared to their n-c-Si counterparts. A calculation of the saturation current densities of the cell's emitter, bulk and back contact demonstrates that the n-a-Si:H/p-c-Si emitter suffers from a low built-in potential. Modelling of the back contact based on the charge carrier transport equations shows that the insertion of an i-a-Si:H layer with a thickness d {>=} 3 nm (that is mandatory for a high surface passivation quality) leads to a series resistance that is critical for usage in a solar cell. The model mainly ascribes the high back contact resistance to the large valence band offset at the heterojunction. (orig.)

  1. Reaction of active uranium and thorium with aromatic carbonyls and pinacols in hydrocarbon solvents

    International Nuclear Information System (INIS)

    Kahn, B.E.; Rieke, R.D.

    1988-01-01

    Highly reactive uranium and thorium metal powders have been prepared by reduction of the anhydrous metal(IV) chlorides in hydrocarbon solvents. The reduction employs the crystalline hydrocarbon-soluble reducing agent [(TMEDA)Li] 2 [Nap] (TMEDA = N,N,N',N'-tetramethylethylenediamine, Nap = naphthalene). The resulting active metal powders have been shown to be extremely reactive with oxygen-containing compounds and have been used in the reductive coupling of aromatic ketones giving tetra-arylethylenes. Reactions with pinacols have given some mechanistic insight into the ketone coupling reaction. These finely divided metal powders activate very weakly acidic C-H bonds forming metal hydrides, which can be transferred to organic substrates

  2. Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

    Science.gov (United States)

    Adams, Nigel G.; Fondren, L. Dalila; McLain, Jason L.; Jackson, Doug M.

    2006-01-01

    Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAHs, have been implicated as carriers of diffuse interstellar bands (DIBs) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C5H5N, C4H4N2, C5H11N and C4H8O2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C4H4(+), C3H3N(+) and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

  3. Production of a New Emulsifier Material for the Formation Heavy Hydrocarbon/Water Emulsion

    Directory of Open Access Journals (Sweden)

    Afshin Farahbakhsh

    2011-04-01

    Full Text Available Emulsifiers are a unique class of compounds that have proved to have a variety of potential applications in formation of hydrocarbon in water emulsion, in enhancement of oil recovery and in the reduction of heavy oil viscosity. In this paper, a bio emulsifier was synthesized by a strain of Bacillus licheniformis and was separated by an autoclave and centrifugal process; the purification of bio emulsifier and the increase quality of product was done by adding sulfuric acid (H2SO4 (98% to the solution and centrifuging this compound again. This bio emulsifier has the property of emulsification to a wide range of heavy hydrocarbon to form a stable hydrocarbon-water emulsion. This bio emulsifier could reduce Iranian Nuroze high viscosity oil of about 10000 cP down to 250 cP. This means about 97% decreases in the viscosity. The emulsion stable this condition for 48 hr and the viscosity slowly increases to 4000cp until 192 hr. The stability of the oil in water emulsion during 48hr allows the heavy oil to be transported practically over lengthy distances or remain stable for long periods of time prior to utilization.

  4. Recent Developments in C-H Activation for Materials Science in the Center for Selective C-H Activation.

    Science.gov (United States)

    Zhang, Junxiang; Kang, Lauren J; Parker, Timothy C; Blakey, Simon B; Luscombe, Christine K; Marder, Seth R

    2018-04-16

    Abstract : Organic electronics is a rapidly growing field driven in large part by the synthesis of ∏-conjugated molecules and polymers. Traditional aryl cross-coupling reactions such as the Stille and Suzuki have been used extensively in the synthesis of ∏-conjugated molecules and polymers, but the synthesis of intermediates necessary for traditional cross-couplings can include multiple steps with toxic and hazardous reagents. Direct arylation through C-H bond activation has the potential to reduce the number of steps and hazards while being more atom-economical. Within the Center for Selective C-H Functionalization (CCHF), we have been developing C-H activation methodology for the synthesis of ∏-conjugated materials of interest, including direct arylation of difficult-to-functionalize electron acceptor intermediates and living polymerization of ∏-conjugated polymers through C-H activation.

  5. Two-step processing of oil shale to linear hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Eliseev, O.L.; Ryzhov, A.N.; Latypova, D.Zh.; Lapidus, A.L. [Russian Academy of Sciences, Moscow (Russian Federation). N.D. Zelinsky Institute of Organic Chemistry; Avakyan, T.A. [Gubkin Russian State University of Oil and Gas, Moscow (Russian Federation)

    2013-11-01

    Thermal and catalytic steam reforming of oil shale mined from Leningrad and Kashpir deposits was studied. Experiments were performed in fixed bed reactor by varying temperature and steam flow rate. Data obtained were approximated by empirical formulas containing some parameters calculated by least-squares method. Thus predicting amount of hydrogen, carbon monoxide and methane in producer gas is possible for given particular kind of oil shale, temperature and steam flow rate. Adding Ni catalyst enriches hydrogen and depletes CO content in effluent gas at low gasification temperatures. Modeling gas simulating steam reforming gases (H{sub 2}, CO, CO{sub 2}, and N{sub 2} mixture) was tested in hydrocarbon synthesis over Co-containing supported catalyst. Selectivity of CO conversion into C{sub 5+} hydrocarbons reaches 84% while selectivity to methane is 7%. Molecular weight distribution of synthesized alkanes obeys Anderson-Schulz-Flory equation and chain growth probability 0.84. (orig.)

  6. Adsorption of small hydrocarbons on rutile TiO2(110)

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Long; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek

    2016-08-01

    Temperature programmed desorption and molecular beam scattering were used to study the adsorption and desorption of small hydrocarbons (n-alkanes, 1-alkenes and 1-alkynes with 1 - 4 carbon atoms of C1-C4) on rutile TiO2(110). We show that the sticking coefficients for all the hydrocarbons are close to unity (> 0.95) at an adsorption temperature of 60 K. The desorption energies for hydrocarbons of the same chain length increase from n-alkanes to 1-alkenes and to 1-alkynes. This trend is likely a consequence of an additional dative bonding of the alkene and alkyne π system to the coordinatively unsaturated Ti5c sites. Similar to previous studies on the adsorption of n-alkanes on metal and metal oxide surfaces, we find the desorption energies within each group (n-alkanes vs. 1-alkenes vs. 1-alkynes) from Ti5c sites increase linearly with the chain length. The absolute saturation coverages of each hydrocarbon on Ti5c sites were also determined. The saturation coverage of CH4, is found to be ~ 2/3 monolayer (ML). The saturation coverages of C2-C4 hydrocarbons are found nearly independent of the chain length with values of ~1/2 ML for n-alkanes and 1-alkenes and 2/3 ML for 1-alkynes. This result is surprising considering their similar sizes.

  7. Hydrogenation and Deuteration of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} on Cold Grains: A Clue to the Formation Mechanism of C{sub 2}H{sub 6} with Astronomical Interest

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Hitomi; Kawakita, Hideyo [Koyama Astronomical Observatory, Kyoto Sangyo University Motoyama, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Hidaka, Hiroshi; Hama, Tetsuya; Watanabe, Naoki [Institute of Low Temperature Science, Hokkaido University N19-W8, Kita-ku, Sapporo, Hokkaido 060-0819 (Japan); Lamberts, Thanja; Kästner, Johannes, E-mail: h_kobayashi@kyoto-nijikoubou.com [Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart (Germany)

    2017-03-10

    We quantitatively investigated the hydrogen addition reactions of acetylene (C{sub 2}H{sub 2}) and ethylene (C{sub 2}H{sub 4}) on amorphous solid water (ASW) at 10 and 20 K relevant to the formation of ethane (C{sub 2}H{sub 6}) on interstellar icy grains. We found that the ASW surface enhances the reaction rates for C{sub 2}H{sub 2} and C{sub 2}H{sub 4} by approximately a factor of 2 compared to those on the pure-solid C{sub 2}H{sub 2} and C{sub 2}H{sub 4} at 10 K, probably due to an increase in the sticking coefficient and adsorption energy of the H atoms on ASW. In contrast to the previous proposal that the hydrogenation rate of C{sub 2}H{sub 4} is orders of magnitude larger than that of C{sub 2}H{sub 2}, the present results show that the difference in hydrogenation rates of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} is only within a factor of 3 on both the surfaces of pure solids and ASW. In addition, we found the small kinetic isotope effect for hydrogenation/deuteration of C{sub 2}H{sub 2} and C{sub 2}H{sub 4} at 10 K, despite the requirement of quantum tunneling. At 20 K, the reaction rate of deuteration becomes even larger than that of hydrogenation. These unusual isotope effects might originate from a slightly larger number density of D atoms than H atoms on ASW at 20 K. The hydrogenation of C{sub 2}H{sub 2} is four times faster than CO hydrogenation and can produce C{sub 2}H{sub 6} efficiently through C{sub 2}H{sub 4} even in the environment of a dark molecular cloud.

  8. [Research on Oil Sands Spectral Characteristics and Oil Content by Remote Sensing Estimation].

    Science.gov (United States)

    You, Jin-feng; Xing, Li-xin; Pan, Jun; Shan, Xuan-long; Liang, Li-heng; Fan, Rui-xue

    2015-04-01

    Visible and near infrared spectroscopy is a proven technology to be widely used in identification and exploration of hydrocarbon energy sources with high spectral resolution for detail diagnostic absorption characteristics of hydrocarbon groups. The most prominent regions for hydrocarbon absorption bands are 1,740-1,780, 2,300-2,340 and 2,340-2,360 nm by the reflectance of oil sands samples. These spectral ranges are dominated by various C-H overlapping overtones and combination bands. Meanwhile, there is relatively weak even or no absorption characteristics in the region from 1,700 to 1,730 nm in the spectra of oil sands samples with low bitumen content. With the increase in oil content, in the spectral range of 1,700-1,730 nm the obvious hydrocarbon absorption begins to appear. The bitumen content is the critical parameter for oil sands reserves estimation. The absorption depth was used to depict the response intensity of the absorption bands controlled by first-order overtones and combinations of the various C-H stretching and bending fundamentals. According to the Pearson and partial correlation relationships of oil content and absorption depth dominated by hydrocarbon groups in 1,740-1,780, 2,300-2,340 and 2,340-2,360 nm wavelength range, the scheme of association mode was established between the intensity of spectral response and bitumen content, and then unary linear regression(ULR) and partial least squares regression (PLSR) methods were employed to model the equation between absorption depth attributed to various C-H bond and bitumen content. There were two calibration equations in which ULR method was employed to model the relationship between absorption depth near 2,350 nm region and bitumen content and PLSR method was developed to model the relationship between absorption depth of 1,758, 2,310, 2,350 nm regions and oil content. It turned out that the calibration models had good predictive ability and high robustness and they could provide the scientific

  9. Thermodynamics of many-band superconductors

    International Nuclear Information System (INIS)

    Waelte, A.

    2006-01-01

    In the present thesis the microscopical properties of the superconducting state of MgCNi 3 , MgB 2 , and some rare earth-transition metal borocarbides are studied by means of measurements of the specific heat. Furthermore the frequency spectrum of the lattice vibrations is estimated. The energy gap of the superconducting state can be determined from the specific heat of the superconducting state, which yields as like as the upper critical mafnetic field H c2 (0) hints on the electron-phonon coupling. From the analysis of these results and the comparison with results from transport measurements as well as the tunnel and point-contact spectroscopy can be concluded, how far the BCS model of superconductivity must be modified in order to be able to describe the superconducting state of the studied compounds. Studies on MgCNi 3 , which lies near a magnetic instability, show that occurring magnetic fluctuations have a bisection of the superconducting transition temperature T C as consequence. The under this aspect relatively high value of T C =7 K is a consequence of strong electron-phonon coupling, which is essentailly carried by nickel vibrations stabilized by carbon. A for the first time observed distinct anomaly in the specific heat of the classical many-band superconductor MgB 2 (here with pure 10 B) at about T c /4=10 K can be understood by means of a two-band model for the case of especially weak coupling between both bands. The analysis of the specific heat of the superconducting phase of the non-magnetic rare earth-nickel borocarbide YNi 2 B 2 C and LuNi 2 B 2 C leads to the conclusion thet visible effects of the many-band electron system are dependent on the mass on the position both of the rare earth and the transition metal. The signal of the superconducting phase transformation visible in the specific heat of the antiferromagnetic HoNi 2 B 2 C is smaller than expected

  10. Densities, viscosities, and refractive indexes for {C2H5CO2(CH2)2CH3+C6H13OH+C6H6} at T=308.15 K

    International Nuclear Information System (INIS)

    Casas, Herminio; Garcia-Garabal, Sandra; Segade, Luisa; Cabeza, Oscar.; Franjo, Carlos; Jimenez, Eulogio

    2003-01-01

    In this work we present densities, kinematic viscosities, and refractive indexes of the ternary system {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 13 OH+C 6 H 6 } and the corresponding binary mixtures {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 6 }, {C 2 H 5 CO 2 (CH 2 ) 2 CH 3 +C 6 H 13 OH}, and {C 6 H 13 OH+C 6 H 6 }. All data have been measured at T=308.15 K and atmospheric pressure over the whole composition range. The excess molar volumes, dynamic viscosity deviations, and changes of the refractive index on mixing were calculated from experimental measurements. The results for binary mixtures were fitted to a polynomial relationship to estimate the coefficients and standard deviations. The Cibulka equation has been used to correlate the experimental values of ternary mixtures. Also, the experimental values obtained for the ternary mixture were used to test the empirical methods of Kohler, Jacob and Fitzner, Colinet, Tsao and Smith, Toop, Scatchard et al., and Hillert. These methods predict excess properties of the ternary mixtures from those of the involved binary mixtures. The results obtained for dynamic viscosities of the binary mixtures were used to test the semi-empirical relations of Grunberg-Nissan, McAllister, Auslaender, and Teja-Rice. Finally, the experimental refractive indexes were compared with the predicted results for the Lorentz-Lorenz, Gladstone-Dale, Wiener, Heller, and Arago-Biot equations. In all cases, we give the standard deviation between the experimental data and that calculated with the above named relations

  11. Distilling hydrocarbon oils

    Energy Technology Data Exchange (ETDEWEB)

    Tausz, J

    1924-07-16

    Hydrocarbon oils such as petroleum, shale oils, lignite or coal tar oils are purified by distilling them and collecting the distillate in fractions within narrow limits so that all the impurities are contained in one or more of the narrow fractions. In distilling ligroin obtained by destructive distillation of brown coal, it is found that the coloring and resin-forming constituents are contained in the fractions distilling over at 62 to 86/sup 0/C and 108/sup 0/C. The ligroin is purified, therefore, by distillating in an apparatus provided with an efficient dephlegmotor and removing these two fractions. The distillation may be carried out wholly or in part under reduced pressure, and fractions separated under ordinary pressure may be subsequently distilled under reduced pressure. The hydrocarbons may be first separated into fractions over wider limits and the separate fractions be subjected to a further fractional distillation.

  12. Aliphatic hydrocarbons in surface sediments from South China Sea off Kuching Division, Sarawak

    International Nuclear Information System (INIS)

    Hafidz Yusoff; Zaini Assim; Samsur Mohamad

    2012-01-01

    Eighteen surface sediment samples collected from South China Sea off Kuching Division, Sarawak were analyzed for aliphatic hydrocarbons. These hydrocarbons were recovered from sediment by Soxhlet extraction method and then analyzed using gas chromatography equipped with mass spectrometer (GC/ MS). Total concentrations of aliphatic hydrocarbons in surface sediments from South China Sea off Kuching division are ranged from 35.6 μg/ g to 1466.1 μg/ g dry weights. The sediments collected from Bako Bay, Kuching showed high concentrations of total aliphatic hydrocarbons. Several molecular indices were used to predict the predominant sources of hydrocarbons. Carbon preference index (CPI) value revealed widespread anthropogenic input in this study area (CPI= 0 to 4.1). The ratio of C 31 / C 19 and C 29 / C 31 indicated that major input of aliphatic hydrocarbon mostly transfer by lateral input to the marine environment than atmospheric movements. Generally, the concentrations of aliphatic hydrocarbons in sediment from South China Sea off Kuching division are generally higher compare to other area in the world. (author)

  13. Band gap engineering for graphene by using Na+ ions

    International Nuclear Information System (INIS)

    Sung, S. J.; Lee, P. R.; Kim, J. G.; Ryu, M. T.; Park, H. M.; Chung, J. W.

    2014-01-01

    Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E g ) at DP in a controlled way by depositing positively charged Na + ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na + ions is found to deplete the π* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E g . The band gap increases with increasing Na + coverage with a maximum E g ≥0.70 eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na + ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na + ions, which may play a vital role in utilizing graphene in future nano-electronic devices.

  14. GC×GC measurements of C7-C11 aromatic and n-alkane hydrocarbons on Crete, in air from Eastern Europe during the MINOS campaign

    Directory of Open Access Journals (Sweden)

    X. Xu

    2003-01-01

    Full Text Available During the Mediterranean Intensive Oxidant Study (MINOS campaign in August 2001 gas-phase organic compounds were measured using comprehensive two-dimensional gas chromatography (GCxGC at the Finokalia ground station, Crete. In this paper, C7-C11 aromatic and n-alkane measurements are presented and interpreted. The mean mixing ratios of the hydrocarbons varied from 1±1 pptv (i-propylbenzene to 43±36 pptv (toluene. The observed mixing ratios showed strong day-to-day variations and generally higher levels during the first half of the campaign. Mean diel profiles showed maxima at local midnight and late morning, and minima in the early morning and evening. Results from analysis using a simplified box model suggest that both the chemical sink (i.e. reaction with OH and the variability of source strengths were the causes of the observed variations in hydrocarbon mixing ratios. The logarithms of hydrocarbon concentrations were negatively correlated with the OH concentrations integral over a day prior to the hydrocarbon measurements. Slopes of the regression lines derived from these correlations for different compounds are compared with literature rate constants for their reactions with OH. The slopes for most compounds agree reasonably well with the literature rate constants. A sequential reaction model has been applied to the interpretation of the relationship between ethylbenzene and two of its potential products, i.e. acetophenone and benzeneacetaldehyde. The model can explain the good correlation observed between [acetophenone]/[ethylbenzene] and [benzeneacetaldehyde]/[ethylbenzene]. The model results and field measurements suggest that the reactivity of benzeneacetaldehyde may lie between those of acetophenone and ethylbenzene and that the ratio between yields of acetophenone and benzeneacetaldehyde may be up to 28:1. Photochemical ages of trace gases sampled at Finokalia during the campaign are estimated using the sequential reaction model and

  15. Tank 24-C-103 headspace flammability

    International Nuclear Information System (INIS)

    Huckaby, J.L.

    1994-05-01

    Information regarding flammable vapors, gases, and aerosols is presented and interpreted to help resolve the tank 241-C-103 headspace flammability issue. Analyses of recent vapor and liquid samples, as well as visual inspections of the tank headspace, are discussed in the context of tank dynamics. Concern that the headspace of tank 241-C-103 may contain a flammable mixture of organic vapors and an aerosol of combustible organic liquid droplets arises from the presence of a layer of organic liquid in the tank. This organic liquid is believed to have originated in the plutonium-uranium extraction (PUREX) process, having been stored initially in tank 241-C-102 and apparently transferred to tank 241-C-103 in 1975 (Carothers 1988). Analyses of samples of the organic liquid collected in 1991 and 1993 indicate that the primary constituents are tributyl phosphate (TBP) and several semivolatile hydrocarbons (Prentice 1991, Pool and Bean 1994). This is consistent with the premise that the organic waste came from the PUREX process, because the PUREX process used a solution of TBP in a diluent composed of the n-C 11 H 24 to n-C 15 H 32 normal paraffinic hydrocarbons (NPH)

  16. A Small Fullerene (C{sub 24}) may be the Carrier of the 11.2 μ m Unidentified Infrared Band

    Energy Technology Data Exchange (ETDEWEB)

    Bernstein, L. S.; Shroll, R. M. [Spectral Sciences, Inc., 4 Fourth Ave., Burlington, MA 01803 (United States); Lynch, D. K. [Thule Scientific, P.O. Box 953, Topanga, CA 90290 (United States); Clark, F. O., E-mail: larry@spectral.com, E-mail: rshroll@spectral.com, E-mail: dave@caltech.edu, E-mail: frank.clark@gmail.com [Wopeco Research, 125 South Great Road, Lincoln, MA 01773 (United States)

    2017-02-20

    We analyze the spectrum of the 11.2 μ m unidentified infrared band (UIR) from NGC 7027 and identify a small fullerene (C{sub 24}) as a plausible carrier. The blurring effects of lifetime and vibrational anharmonicity broadening obscure the narrower, intrinsic spectral profiles of the UIR band carriers. We use a spectral deconvolution algorithm to remove the blurring, in order to retrieve the intrinsic profile of the UIR band. The shape of the intrinsic profile—a sharp blue peak and an extended red tail—suggests that the UIR band originates from a molecular vibration–rotation band with a blue band head. The fractional area of the band-head feature indicates a spheroidal molecule, implying a nonpolar molecule and precluding rotational emission. Its rotational temperature should be well approximated by that measured for nonpolar molecular hydrogen, ∼825 K for NGC 7027. Using this temperature, and the inferred spherical symmetry, we perform a spectral fit to the intrinsic profile, which results in a rotational constant implying C{sub 24} as the carrier. We show that the spectroscopic parameters derived for NGC 7027 are consistent with the 11.2 μ m UIR bands observed for other objects. We present density functional theory (DFT) calculations for the frequencies and infrared intensities of C{sub 24}. The DFT results are used to predict a spectral energy distribution (SED) originating from absorption of a 5 eV photon, and characterized by an effective vibrational temperature of 930 K. The C{sub 24} SED is consistent with the entire UIR spectrum and is the dominant contributor to the 11.2 and 12.7 μ m bands.

  17. Reactive carbon-chain molecules: synthesis of 1-diazo-2,4-pentadiyne and spectroscopic characterization of triplet pentadiynylidene (H-C[triple bond]C-:C-C[triple bond]C-H).

    Science.gov (United States)

    Bowling, Nathan P; Halter, Robert J; Hodges, Jonathan A; Seburg, Randal A; Thomas, Phillip S; Simmons, Christopher S; Stanton, John F; McMahon, Robert J

    2006-03-15

    1-Diazo-2,4-pentadiyne (6a), along with both monodeuterio isotopomers 6b and 6c, has been synthesized via a route that proceeds through diacetylene, 2,4-pentadiynal, and 2,4-pentadiynal tosylhydrazone. Photolysis of diazo compounds 6a-c (lambda > 444 nm; Ar or N2, 10 K) generates triplet carbenes HC5H (1) and HC5D (1-d), which have been characterized by IR, EPR, and UV/vis spectroscopy. Although many resonance structures contribute to the resonance hybrid for this highly unsaturated carbon-chain molecule, experiment and theory reveal that the structure is best depicted in terms of the dominant resonance contributor of penta-1,4-diyn-3-ylidene (diethynylcarbene, H-C[triple bond]C-:C-C[triple bond]C-H). Theory predicts an axially symmetric (D(infinity h)) structure and a triplet electronic ground state for 1 (CCSD(T)/ANO). Experimental IR frequencies and isotope shifts are in good agreement with computed values. The triplet EPR spectrum of 1 (absolute value(D/hc) = 0.6157 cm(-1), absolute value(E/hc) = 0.0006 cm(-1)) is consistent with an axially symmetric structure, and the Curie law behavior confirms that the triplet state is the ground state. The electronic absorption spectrum of 1 exhibits a weak transition near 400 nm with extensive vibronic coupling. Chemical trapping of triplet HC5H (1) in an O2-doped matrix affords the carbonyl oxide 16 derived exclusively from attack at the central carbon.

  18. Are Nonadiabatic Reaction Dynamics the Key to Novel Organosilicon Molecules? The Silicon (Si(3P))-Dimethylacetylene (C4H6(X1A1g)) System as a Case Study.

    Science.gov (United States)

    Thomas, Aaron M; Dangi, Beni B; Yang, Tao; Kaiser, Ralf I; Lin, Lin; Chou, Tzu-Jung; Chang, Agnes H H

    2018-06-06

    The bimolecular gas phase reaction of ground-state silicon (Si; 3 P) with dimethylacetylene (C 4 H 6 ; X 1 A 1g ) was investigated under single collision conditions in a crossed molecular beams machine. Merged with electronic structure calculations, the data propose nonadiabatic reaction dynamics leading to the formation of singlet SiC 4 H 4 isomer(s) and molecular hydrogen (H 2 ) via indirect scattering dynamics along with intersystem crossing (ISC) from the triplet to the singlet surface. The reaction may lead to distinct energetically accessible singlet SiC 4 H 4 isomers ( 1 p8- 1 p24) in overall exoergic reaction(s) (-107 -20 +12 kJ mol -1 ). All feasible reaction products are either cyclic, carry carbene analogous silylene moieties, or carry C-Si-H or C-Si-C bonds that would require extensive isomerization from the initial collision complex(es) to the fragmenting singlet intermediate(s). The present study demonstrates the first successful crossed beams study of an exoergic reaction channel arising from bimolecular collisions of silicon, Si( 3 P), with a hydrocarbon molecule.

  19. Characterization of anodic SiO2 films on P-type 4H-SiC

    International Nuclear Information System (INIS)

    Woon, W.S.; Hutagalung, S.D.; Cheong, K.Y.

    2009-01-01

    The physical and electronic properties of 100-120-nm thick anodic silicon dioxide film grown on p-type 4H-SiC wafer and annealed at different temperatures (500, 600, 700, and 800 deg. C ) have been investigated and reported. Chemical bonding of the films has been analyzed by Fourier transform infra red spectroscopy. Smooth and defect-free film surface has been revealed under field emission scanning electron microscope. Atomic force microscope has been used to study topography and surface roughness of the films. Electronic properties of the film have been investigated by high frequency capacitance-voltage and current-voltage measurements. As the annealing temperature increased, refractive index, dielectric constant, film density, SiC surface roughness, effective oxide charge, and leakage current density have been reduced until 700 deg. C . An increment of these parameters has been observed after this temperature. However, a reversed trend has been demonstrated in porosity of the film and barrier height between conduction band edge of SiO 2 and SiC

  20. Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

    DEFF Research Database (Denmark)

    Jones, Glenn; Studt, Felix; Abild-Pedersen, Frank

    2011-01-01

    for AHx-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure...

  1. Karyotypic evolution in family Hipposideridae (Chiroptera, Mammalia) revealed by comparative chromosome painting, G- and C-banding.

    Science.gov (United States)

    Mao, Xiu-Guang; Wang, Jin-Huan; Su, Wei-Ting; Wang, Ying-Xiang; Yang, Feng-Tang; Nie, Wen-Hui

    2010-10-01

    Comparing to its sister-family (Rhinolophidae), Hipposideridae was less studied by cytogenetic approaches. Only a few high-resolution G-banded karyotypes have been reported so far, and most of the conclusions on the karyotypic evolution in Hipposideridae were based on conventional Giemsa-staining. In this study, we applied comparative chromosome painting, a method of choice for genome-wide comparison at the molecular level, and G- and C-banding to establish comparative map between five hipposiderid species from China, using a whole set of chromosome-specific painting probes from one of them (Aselliscus stoliczkanus). G-band and C-band comparisons between homologous segments defined by chromosome painting revealed that Robertsonian translocations, paracentric inversions and heterochromatin addition could be the main mechanism of chromosome evolution in Hipposideridae. Comparative analysis of the conserved chromosomal segments among five hipposiderid species and outgroup species suggests that bi-armed chromosomes should be included into the ancestral karyotype of Hipposideridae, which was previously believed to be exclusively composed of acrocentric chromosomes.

  2. Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

    International Nuclear Information System (INIS)

    Pirali, O.; Gruet, S.; Kisiel, Z.; Goubet, M.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

    2015-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C 9 H 7 N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν 45 and ν 44 vibrational modes (located at about 168 cm −1 and 178 cm −1 , respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations

  3. Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

    Science.gov (United States)

    Pirali, O.; Kisiel, Z.; Goubet, M.; Gruet, S.; Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G.

    2015-03-01

    Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C9H7N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν45 and ν44 vibrational modes (located at about 168 cm-1 and 178 cm-1, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

  4. Rotation-vibration interactions in the spectra of polycyclic aromatic hydrocarbons: Quinoline as a test-case species

    Energy Technology Data Exchange (ETDEWEB)

    Pirali, O.; Gruet, S. [AILES Beamline, Synchrotron SOLEIL, l’Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette cedex (France); Institut des Sciences Moléculaires d’Orsay, UMR8214 CNRS – Université Paris-Sud, Bât. 210, 91405 Orsay cedex (France); Kisiel, Z. [Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Goubet, M. [Laboratoire de Physique des Lasers, Atomes et Molécules, UMR 8523 CNRS - Université Lille 1, Bâtiment P5, F-59655 Villeneuve d’Ascq Cedex (France); Martin-Drumel, M. A.; Cuisset, A.; Hindle, F.; Mouret, G. [Laboratoire de Physico-Chimie de l’Atmosphère, EA-4493, Université du Littoral – Côte d’Opale, 59140 Dunkerque (France)

    2015-03-14

    Polycyclic aromatic hydrocarbons (PAHs) are highly relevant for astrophysics as possible, though controversial, carriers of the unidentified infrared emission bands that are observed in a number of different astronomical objects. In support of radio-astronomical observations, high resolution laboratory spectroscopy has already provided the rotational spectra in the vibrational ground state of several molecules of this type, although the rotational study of their dense infrared (IR) bands has only recently become possible using a limited number of experimental set-ups. To date, all of the rotationally resolved data have concerned unperturbed spectra. We presently report the results of a high resolution study of the three lowest vibrational states of quinoline C{sub 9}H{sub 7}N, an N-bearing naphthalene derivative. While the pure rotational ground state spectrum of quinoline is unperturbed, severe complications appear in the spectra of the ν{sub 45} and ν{sub 44} vibrational modes (located at about 168 cm{sup −1} and 178 cm{sup −1}, respectively). In order to study these effects in detail, we employed three different and complementary experimental techniques: Fourier-transform microwave spectroscopy, millimeter-wave spectroscopy, and Fourier-transform far-infrared spectroscopy with a synchrotron radiation source. Due to the high density of states in the IR spectra of molecules as large as PAHs, perturbations in the rotational spectra of excited states should be ubiquitous. Our study identifies for the first time this effect and provides some insights into an appropriate treatment of such perturbations.

  5. THE FAR-INFRARED SPECTROSCOPY OF VERY LARGE NEUTRAL POLYCYCLIC AROMATIC HYDROCARBONS

    International Nuclear Information System (INIS)

    Ricca, Alessandra; Bauschlicher, Charles W.; Mattioda, Andrew L.; Boersma, Christiaan; Allamandola, Louis J.

    2010-01-01

    Here we report the computed far-infrared (FIR) spectra of neutral polycyclic aromatic hydrocarbon (PAH) molecules containing at least 82 carbons up to 130 carbons and with shapes going from compact round and oval-type structures to rectangular and to trapezoidal. The effects of size and shape on the FIR band positions and intensities are discussed. Using FIR data from the NASA Ames PAH IR Spectroscopic Database Version 1.1, we generate synthetic spectra that support the suggestion that the 16.4, 17.4, and 17.8 μm bands arise from PAHs.

  6. [Simultaneous determination of 15 polycyclic aromatic hydrocarbons in cigarette filter by gas chromatography-tandem mass spectrometry].

    Science.gov (United States)

    Zhang, Xiaotao; Zhang, Li; Ruan, Yibin; Wang, Weiwei; Ji, Houwei; Wan, Qiang; Lin, Fucheng; Liu, Jian

    2017-10-08

    A method for the simultaneous determination of 15 polycyclic aromatic hydrocarbons in cigarette filter was developed by isotope internal standard combined with gas chromatography-tandem mass spectrometry. The cigarette filters were extracted with dichloromethane, and the extract was filtered with 0.22 μm organic phase membrane. The samples were isolated by DB-5MS column (30 m×0.25 mm, 0.25 μm) and detected using multiple reaction monitoring mode of electron impact source under positive ion mode. The linearities of the 15 polycyclic aromatic hydrocarbons (acenapthylene, acenaphthene, fluorene, phenanthrene, anthracene, fluoranthene, pyrene, ben[ a ]anthracene, chrysene, benzo[ b ]fluoranthene, benzo[ k ]fluoranthene, benzo[ a ]pyrene, dibenzo[ a,h ]anthracene, benzo[ g,h,i ]perylene and indeno[1,2,3- c,d ]pyrene) were good, and the correlation coefficients ( R 2 ) ranged from 0.9914 to 0.9999. The average recoveries of the 15 polycyclic aromatic hydrocarbons were 81.6%-109.6% at low, middle and high spiked levels, and the relative standard deviations were less than 16%, except that the relative standard deviation of fluorene at the low spiked level was 19.2%. The limits of detection of the 15 polycyclic aromatic hydrocarbons were 0.02 to 0.24 ng/filter, and the limits of quantification were 0.04 to 0.80 ng/filter. The method is simple, rapid, accurate, sensitive and reproducible. It is suitable for the quantitative analysis of the 15 polycyclic aromatic hydrocarbons in cigarette filters.

  7. Electronic excitation in collisions of H+ and H with N2

    International Nuclear Information System (INIS)

    Birely, J.H.

    1974-01-01

    The 200-500 nm radiation excited by collisions of a beam of 1.5-25 keV H + or H with N 2 has been studied under thin-target conditions with a viewing geometry chosen to minimize polarization effects. For both H + and H impact, the N 2 + (B 2 Σsub(u)sup(+)-X 2 Σsub(g)sup(+)) first negative bands are the most intense spectral features in this wavelength range. As expected from consideration of electron spin conservation, the probability of excitation of the N 2 (C 3 PIsub(u)-B 3 PIsub(g)) second positive bands by H impact greatly exceeds that for H + bombardment. Relative emission cross sections for the 0-0 bands of the first negative system at 391.5 nm and the second positive system at 337.1 nm were determined and made absolute via normalization to measurements reported at higher energies by previous workers. Cross sections for formation of N 2 + B 2 Σsub(u)sup(+) and N 2 C 3 PIsub(u) in the v'=0 vibrational level were derived from the measured emission cross sections and known transition probabilities. A maximum in the cross section for formation of N 2 + B 2 Σsub(u')sup(+), v'=0 of 9.7x10 -17 cm 2 at 10 keV was found for H + impact, while for H, the cross section for this process rises steadily with increasing collision energy until reaching a nearly constant value of 2.9x10 -17 cm 2 in the 15-25 keV range. The fraction of the total N 2 + yield that is formed in the B state is about 0.05 to 0.08 in the energy range studied. For formation of N 2 C 3 PIsub(u) with v'=0, the cross section has maximum value of 1.24x10 -17 cm 2 at 5 keV. At H atom energies below 7 keV, exchange excitation of N 2 to the C 3 PIsub(u) state is more probable than ionization to yield N 2 + in the B state while, at higher energies, ionization to yield the B state is the more probable process

  8. Quantitative film detection of 3H and 14C in polyacrylamide gels by fluorography

    International Nuclear Information System (INIS)

    Laskey, R.A.; Mills, A.D.

    1975-01-01

    Methods which use the scintillator PPO to record film images of 3 H in chromatograms and polyacrylamide gels (fluorography) have been described elsewhere. This paper demonstrates that pre-exposure of the film to a brief flash of light greatly increases the sensitivity of fluorography. Pre-exposure also permits quantitative interpretation of the film image, because it corrects the non-linear relationship between redioactivity of the sample and absorbance of the film image. Therefore the distribution of radioactivity in the sample is accurately represented by micro-densitometry of the image obtained on pre-exposed film. Using pre-exposed film 300 dis. 3 H/min or 30 dis. 14 C/min can be detected in a band in a gel in a 24-h exposure. The appendix describes revisions and extensions of existing fluorographic procedures, including application to agarose gels and a rapid procedure for recovering PPO for re-use. (orig.) [de

  9. Rietveld refinement of the structures of 1.0 C-S-H and 1.5 C-S-H

    KAUST Repository

    Battocchio, Francesco

    2012-11-01

    Low-Q region Rietveld analyses were performed on C-S-H synchrotron XRD patterns, using the software MAUD. Two different crystal structures of tobermorite 11 Å were used as a starting model: monoclinic ordered Merlino tobermorite, and orthorhombic disordered Hamid tobermorite. Structural modifications were required to adapt the structures to the chemical composition and the different interlayer spacing of the C-S-H samples. Refinement of atomic positions was done by using special constraints called fragments that maintain interatomic distances and orientations within atomic polyhedra. Anisotropic crystallite size refinement showed that C-S-H has a nanocrystalline disordered structure with a preferred direction of elongation of the nanocrystallites in the plane of the Ca interlayer. The quality of the fit showed that the monoclinic structure gives a more adequate representation of C-S-H, whereas the disordered orthorhombic structure can be considered a more realistic model if the lack of long-range order of the silica chain along the c-direction is assumed. © 2012 Elsevier Ltd. All rights reserved.

  10. Cyprodinil as an activator of aryl hydrocarbon receptor

    International Nuclear Information System (INIS)

    Fang, Chien-Chung; Chen, Fei-Yun; Chen, Chang-Rong; Liu, Chien-Chiang; Wong, Liang-Chi; Liu, Yi-Wen; Su, Jyan-Gwo Joseph

    2013-01-01

    Highlights: ► Cyprodinil activated the aryl hydrocarbon receptor (AHR). ► Cyprodinil induced nuclear translocation of the AHR, and the expression of CYP1A1. ► Cyprodinil enhanced dexamethasone-induced gene expression. ► Cyprodinil phosphorylated ERK, indicating its deregulation of ERK activity. -- Abstract: Cyprodinil is a pyrimidinamine fungicide, used worldwide by agriculture. It is used to protect fruit plants and vegetables from a wide range of pathogens. Benzo[a]pyrene (BaP) and 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) are toxic environmental pollutants and are prototypes of aryl hydrocarbon receptor (AHR) ligands. Although the structure of cyprodinil distinctly differs from those of BaP and TCDD, our results show that cyprodinil induced nuclear translocation of the AHR, and induced the transcriptional activity of aryl hydrocarbon response element (AHRE). Cyprodinil induced the expression of cytochrome P450 (CYP) 1A1, a well-known AHR-targeted gene, in ovarian granulosa cells, HO23, and hepatoma cells, Hepa-1c1c7. Its induction did not appear in AHR signal-deficient cells, and was blocked by the AHR antagonist, CH-223191. Cyprodinil decreased AHR expression in HO23 cells, resulting in CYP1A1 expression decreasing after it peaked at 9 h of treatment in HO23 cells. Dexamethasone is a synthetic agonist of glucocorticoids. Cyprodinil enhanced dexamethasone-induced gene expression, and conversely, its induction of CYP1A1 expression was decreased by dexamethasone in HO23 cells, indicating its induction of crosstalk between the AHR and glucocorticoid receptor and its role as a potential endocrine disrupter. In addition to BaP, TCDD, and an AHR agonist, β-NF, cyprodinil also phosphorylated extracellular signal-regulated kinase (ERK) in HO23 and Hepa-1c1c7 cells, indicating its deregulation of ERK activity. In summary, our results demonstrate that cyprodinil, similar to BaP, acts as an AHR activator, a potential endocrine disrupter, and an ERK disrupter

  11. Process to separate alkali metal salts from alkali metal reacted hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Gordon, John Howard; Alvare, Javier; Larsen, Dennis; Killpack, Jeff

    2017-06-27

    A process to facilitate gravimetric separation of alkali metal salts, such as alkali metal sulfides and polysulfides, from alkali metal reacted hydrocarbons. The disclosed process is part of a method of upgrading a hydrocarbon feedstock by removing heteroatoms and/or one or more heavy metals from the hydrocarbon feedstock composition. This method reacts the oil feedstock with an alkali metal and an upgradant hydrocarbon. The alkali metal reacts with a portion of the heteroatoms and/or one or more heavy metals to form an inorganic phase containing alkali metal salts and reduced heavy metals, and an upgraded hydrocarbon feedstock. The inorganic phase may be gravimetrically separated from the upgraded hydrocarbon feedstock after mixing at a temperature between about 350.degree. C. to 400.degree. C. for a time period between about 15 minutes and 2 hours.

  12. Formation of hydrocarbon compounds during the hydrocracking of non-edible vegetable oils with cobalt-nickel supported on hierarchical HZSM-5 catalyst

    Science.gov (United States)

    Marlinda, L.; Al-Muttaqii, M.; Roesyadi, A.; Prajitno, D. H.

    2017-05-01

    The hierarchical Co-Ni/HZSM-5 catalyst with hierarchical pore structure was prepared by desilication and incipient wetness impregnation. Hydrocracking of non-edible vegetable oils at temperature of 400 °C, 20±5 bar for 2 h was performed in the presence of this type of catalyst under hydrogen initial pressure in pressured batch reactor. Non-edible vegetable oils, such as Reutealis trisperma (Blanco) airy shaw (sunan candlenut) and Hevea brasiliensis (rubber seed) were chosen to study the effect of the degree of saturation and lateral chain length on hydrocarbon compounds obtained through hydrocracking. Cerbera manghas oil was also tested for comparison because the composition of fatty acid was different with the other oils The hydrocracking test indicated that liquid product produced has a similar hydrocarbon compounds with petroleum diesel. The most abundant hydrocarbon is pentadecane (n-C15) and heptadecane (n-C17). The high aromatic compounds were found in liquid product produced in hydrocracking of Sunan candlenut oil.

  13. Polarimetric C-Band SAR Observations of Sea Ice in the Greenland Sea

    DEFF Research Database (Denmark)

    Thomsen, Bjørn Bavnehøj; Nghiem, S.V.; Kwok, R.

    1998-01-01

    The fully polarimetric EMISAR acquired C-band radar signatures of sea ice in the Greenland Sea during a campaign in March 1995. The authors present maps of polarimetric signatures over an area containing various kinds of ice and discuss the use of polarimetric SAR for identification of ice types...

  14. Evaluation of mineral oil saturated hydrocarbons (MOSH and mineral oil aromatic hydrocarbons (MOAH in pure mineral hydrocarbon-based cosmetics and cosmetic raw materials using 1H NMR spectroscopy [version 2; referees: 3 approved

    Directory of Open Access Journals (Sweden)

    Dirk W. Lachenmeier

    2017-08-01

    Full Text Available Mineral hydrocarbons consist of two fractions, mineral oil saturated hydrocarbons (MOSH and mineral oil aromatic hydrocarbons (MOAH. MOAH is a potential public health hazard because it may include carcinogenic polycyclic compounds. In the present study, 400 MHz nuclear magnetic resonance (NMR spectroscopy was introduced, in the context of official controls, to measure MOSH and MOAH in raw materials or pure mineral hydrocarbon final products (cosmetics and medicinal products. Quantitative determination (qNMR has been established using the ERETIC methodology (electronic reference to access in vivo concentrations based on the PULCON principle (pulse length based concentration determination. Various mineral hydrocarbons (e.g., white oils, paraffins or petroleum jelly were dissolved in deuterated chloroform. The ERETIC factor was established using a quantification reference sample containing ethylbenzene and tetrachloronitrobenzene. The following spectral regions were integrated: MOSH δ 3.0 – 0.2 ppm and MOAH δ 9.2 - 6.5, excluding solvent signals. Validation showed a sufficient precision of the method with a coefficient of variation <6% and a limit of detection <0.1 g/100 g. The applicability of the method was proven by analysing 27 authentic samples with MOSH and MOAH contents in the range of 90-109 g/100 g and 0.02-1.10 g/100 g, respectively. It is important to distinguish this new NMR-approach from the hyphenated liquid chromatography-gas chromatography methodology previously used to characterize MOSH/MOAH amounts in cosmetic products. For mineral hydrocarbon raw materials or pure mineral hydrocarbon-based cosmetic products, NMR delivers higher specificity without any sample preparation besides dilution. Our sample survey shows that previous methods may have overestimated the MOAH amount in mineral oil products and opens new paths to characterize this fraction. Therefore, the developed method can be applied for routine monitoring of consumer

  15. Tunable Robust pacs-MOFs: a Platform for Systematic Enhancement of the C2H2 Uptake and C2H2/C2H4 Separation Performance.

    Science.gov (United States)

    Chen, Di-Ming; Sun, Chun-Xiao; Zhang, Nan-Nan; Si, Huan-Huan; Liu, Chun-Sen; Du, Miao

    2018-03-05

    As a modulatable class of porous crystalline materials, metal-organic frameworks (MOFs) have gained intensive research attention in the domain of gas storage and separation. In this study, we report on the synthesis and gas adsorption properties of two robust MOFs with the general formula [Co 3 (μ 3 -OH)(cpt) 3 Co 3 (μ 3 -OH)(L) 3 (H 2 O) 9 ](NO 3 ) 4 (guests) n [L = 3-amino-1,2,4-triazole (1) and 3,5-diamino-1,2,4-triazole (2); Hcpt = 4-(4-carboxyphenyl)-1,2,4-triazole], which show the same pacs topology. Both MOFs are isostructural to each other and show MIL-88-type frameworks whose pore spaces are partitioned by different functionlized trinuclear 1,2,4-triazolate-based clusters. The similar framework components with different amounts of functional groups make them an ideal platform to permit a systematic gas sorption/separation study to evaluate the effects of distinctive parameters on the C 2 H 2 uptake and separation performance. Because of the presence of additional amido groups, the MOF 2 equipped with a datz-based cluster (Hdatz = 3,5-diamino-1,2,4-triazole) shows a much improved C 2 H 2 uptake capacity and separation performance over that of the MOF 1 equipped with atz-based clusters (Hatz = 3-amino-1,2,4-triazole), although the surface area of the MOF 1 is almost twice than that of the MOF 2. Moreover, the high density of open metal sites, abundant free amido groups, and charged framework give the MOF 2 an excellent C 2 H 2 separation performance, with ideal adsorbed solution theory selectivity values reaching up to 11.5 and 13 for C 2 H 2 /C 2 H 4 (1:99) and C 2 H 2 /CO 2 (50:50) at 298 K and 1 bar, showing potential for use in natural gas purification.

  16. Band 3 tyrosine kinase in avian erythrocyte plasma membrane is immunologically related to pp60c-src

    International Nuclear Information System (INIS)

    Hillsgrove, D.; Shores, C.G.; Parker, J.C.; Maness, P.F.

    1987-01-01

    The authors have identified in the plasma membrane of the chicken erythrocyte a 60-kDa tyrosine-specific protein kinase immunologically related to the transforming protein pp60 v-src of Rous sarcoma virus. The erythrocyte protein kinase phosphorylated heavy chains of tumor-bearing rabbit (TBR) antibodies reactive with pp60 c-src at tyrosine in immune complex protein kinase assays. The kinase was identified as a 60-kDa protein by [ 35 S]methionine labeling of erythrocytes and by autophosphorylation in immune complexes. The kinase migrated on two-dimensional gel electrophoresis with an apparent pI and molecular mass similar to pp60 c-src . A plasma membrane-enriched fraction isolated from chicken red cells contained the majority of the kinase activity. Incubation of the plasma membrane fraction with [ 32 P]ATP resulted in tyrosine phosphorylation of the anion transport protein band 3. Band 3 phosphorylation was blocked by TBR antibodies, indicting that the kinase recognized by pp60 c-src antibodies was responsible for band 3 phosphorylation. These results demonstrate that the avian erythrocyte plasma membrane contains a tightly bound tyrosine-specific protein kinase identical or closely related to pp60 c-src and that this kinase is responsible for band 3 phosphorylation in vitro

  17. High purity and semi-insulating 4H-SiC crystals grown by physical vapor transport

    Energy Technology Data Exchange (ETDEWEB)

    Augustine, G.; Hobgood, H.McD.; Balakrishna, V.; Dunne, G.T.; Hopkins, R.H.; Thomas, R.N. [Northrop Grumman Corp., Pittsburgh, PA (United States). Science and Technology Center; Doolittle, W.A.; Rohatgi, A. [Georgia Inst. of Tech., Atlanta, GA (United States). School of Electrical and Computer Engineering

    1998-06-01

    High purity undoped and semi-insulating vanadium doped 4H-SiC single crystals with diameters up to 50 mm were grown by the physical vapor transport method. Undoped crystals exhibiting resistivities in the 10{sup 2} to 10{sup 3} {Omega}-cm range and photoconductive decay (PCD) lifetimes in the 2 to 9 {mu}s range, were grown from high purity SiC sublimation sources. The crystals were p-type due to the presence of residual acceptor impurities, mainly boron. The semi-insulating behavior of the vanadium doped crystals is attributed to compensation of residual acceptors by the deep level vanadium donor located near the middle of the band gap. (orig.) 6 refs.

  18. Alkali/TX{sub 2} catalysts for CO/H{sub 2} conversion to C{sub 1}-C{sub 4} alcohols. Technical progress report, March 1989--August 1989

    Energy Technology Data Exchange (ETDEWEB)

    Klier, K.; Herman, R.G.; Bastian, R.D.; Flanagan, K.L.

    1989-12-31

    Ruthenium disulfide catalysts have been synthesized, tested, and characterized during this period of research. It was observed that both the undoped and Cs-doped RuS{sub 2} catalysts produced alcohols and lower amounts of hydrocarbons from H{sub 2}/CO = 1.0 synthesis gas at temperatures above 300{degree}C. Calcination and catalytic testing resulted in partial reduction of the RuS{sub 2} to Ru{sup o}. Calcination under H{sub 2}S prevented the partial reduction of the RuS{sub 2} catalyst, but subsequent catalytic testing again resulted in the formation of a quantity of Ru{sup o}. A Cs-doped RuS{sub 2} catalyst was prepared, but it might have had too high of a loading of Cs. Upon testing, a lower activity was observed for the doped catalyst compared with the undoped catalyst, but the alcohol selectivity was the same for the two catalysts.

  19. Catalysis by mixed oxide perovskites. II. The hydrogenolysis of C/sub 3/-C/sub 5/ hydrocarbons on LaCoO/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Ichimura, K; Inoue, Y; Yasumori, I

    1981-06-01

    The catalytic hydrogenolysis of C/sub 3/ to C/sub 5/ alkanes on LaCoO/sub 3/ perovskite oxide was found to show a highly selective formation of methane in the temperature range of 350 to 620 K. The reaction order with respect to the hydrocarbon pressure was unity in every hydrogenolysis, whereas, the hydrogen order increased from zero for propane to 1.0 for butane and isobutane and to 2.0 for pentane, isopentane, and neopentane. The activation energies of the reactions ranged from 120 for propane to 32 kJ mol/sup -1/ for butane. The reaction of propane or butane with D/sub 2/ on LaCoO/sub 3/ provided large fractions of methane (D/sub 3/) and (D/sub 4/), but a negligible amount of deuterium-exchanged alkanes. An equilibrium among the gaseous H/sub 2/, HD and D/sub 2/ was reached. These hydrogenolyses are described by a mechanism involving the almost concurrent rupture of all the carbon-carbon bonds in the alkanes by the attack of adsorbed hydrogen atoms, and were proposed to be catalyzed by a synergetic effect; the CO/sup 3 +/ ion is effective in breaking the C-C bond, whereas the La/sup 3 +/ and O/sup 2 -/ ions serve to supply hydrogen atoms to the decomposed species. The reaction of propene or butenes with hydrogen produced the corresponding alkanes and methane. The kinetic analyses showed that the fractions of methane produced consecutively via the alkanes amounted to 16% for propene and to more than 93% for butenes. The observed pressure dependence and deuterium distributions in the alkene hydrogenation were interpreted in terms of the associative mechanism. The correlation between the structures of the reactant molecules and of the active sites present on LaCoO/sub 3/ was briefly discussed.

  20. Design, realization and test of C-band accelerating structures for the SPARC-LAB linac energy upgrade

    International Nuclear Information System (INIS)

    Alesini, D.; Bellaveglia, M.; Biagini, M.E.; Boni, R.; Brönnimann, M.; Cardelli, F.; Chimenti, P.; Clementi, R.; Di Pirro, G.; Di Raddo, R.; Ferrario, M.; Ficcadenti, L.; Gallo, A.; Kalt, R.; Lollo, V.; Palumbo, L.; Piersanti, L.; Schilcher, T.

    2016-01-01

    The energy upgrade of the SPARC-LAB photo-injector at LNF-INFN (Frascati, Italy) has been originally conceived replacing one low gradient (13 MV/m) 3 m long SLAC type S-band traveling wave (TW) section with two 1.4 m long C-band accelerating sections. Due to the higher gradients reached by such structures, a higher energy beam can be obtained within the same accelerator footprint length. The use of C-band structures for electron acceleration has been adopted in a few FEL linacs in the world, among others, the Japanese Free Electron Laser at SPring-8 and the SwissFEL at Paul Scherrer Institute (PSI). The C-band sections are traveling wave, constant impedance structures with symmetric input and output axial couplers. Their design has been optimized for the operation with a SLED RF pulse compressor. In this paper we briefly review their design criteria and we focus on the construction, tuning, low and high-power RF tests. We also illustrate the design and realization of the dedicated low level RF system that has been done in collaboration with PSI in the framework of the EU TIARA project. Preliminary experimental results appear to confirm the operation of such structures with accelerating gradients larger than 35 MV/m.