Sample records for h2 column density

  1. Constraining the H2 column density distribution at z ˜ 3 from composite DLA spectra

    NASA Astrophysics Data System (ADS)

    Balashev, S. A.; Noterdaeme, P.

    2018-07-01

    We present the detection of the average H2 absorption signal in the overall population of neutral gas absorption systems at z˜ 3 using composite absorption spectra built from the Sloan Digital Sky Survey-III damped Lyman α catalogue. We present a new technique to directly measure the H2 column density distribution function f_H_2(N) from the average H2 absorption signal. Assuming a power-law column density distribution, we obtain a slope β = -1.29 ± 0.06(stat) ± 0.10 (sys) and an incidence rate of strong H2 absorptions [with N(H2) ≳ 1018 cm-2] to be 4.0 ± 0.5(stat) ± 1.0 (sys) per cent in H I absorption systems with N(H I) ≥1020 cm-2. Assuming the same inflexion point where f_H_2(N) steepens as at z = 0, we estimate that the cosmological density of H2 in the column density range log N(H_2) (cm^{-2})= 18{-}22 is {˜ } 15 per cent of the total. We find one order of magnitude higher H2 incident rate in a sub-sample of extremely strong damped Lyman α absorption systems (DLAs) [log N(H I) (cm^{-2}) ≥ 21.7], which, together with the derived shape of f_H_2(N), suggests that the typical H I-H2 transition column density in DLAs is log N(H)(cm-2) ≳ 22.3 in agreement with theoretical expectations for the average (low) metallicity of DLAs at high-z.

  2. Constraining the H2 column density distribution at z˜3 from composite DLA spectra

    NASA Astrophysics Data System (ADS)

    Balashev, S. A.; Noterdaeme, P.

    2018-04-01

    We present the detection of the average H2 absorption signal in the overall population of neutral gas absorption systems at z ˜ 3 using composite absorption spectra built from the Sloan Digital Sky Survey-III damped Lyman-α catalogue. We present a new technique to directly measure the H2 column density distribution function f_H_2(N) from the average H2 absorption signal. Assuming a power-law column density distribution, we obtain a slope β = -1.29 ± 0.06(stat) ± 0.10 (sys) and an incidence rate of strong H2 absorptions (with N(H2) ≳ 1018 cm-2) to be 4.0 ± 0.5(stat) ± 1.0 (sys) % in H I absorption systems with N(H I)≥1020 cm-2. Assuming the same inflexion point where f_H_2(N) steepens as at z = 0, we estimate that the cosmological density of H2 in the column density range log N(H_2) (cm^{-2})= 18-22 is ˜15% of the total. We find one order of magnitude higher H2 incident rate in a sub-sample of extremely strong DLAs (log N(H I) (cm^{-2}) ≥ 21.7), which, together with the the derived shape of f_H_2(N), suggests that the typical H I-H2 transition column density in DLAs is log N(H)(cm-2) ≳ 22.3 in agreement with theoretical expectations for the average (low) metallicity of DLAs at high-z.

  3. Smooth H I Low Column Density Outskirts in Nearby Galaxies

    NASA Astrophysics Data System (ADS)

    Ianjamasimanana, R.; Walter, Fabian; de Blok, W. J. G.; Heald, George H.; Brinks, Elias

    2018-06-01

    The low column density gas at the outskirts of galaxies as traced by the 21 cm hydrogen line emission (H I) represents the interface between galaxies and the intergalactic medium, i.e., where galaxies are believed to get their supply of gas to fuel future episodes of star formation. Photoionization models predict a break in the radial profiles of H I at a column density of ∼5 × 1019 cm‑2 due to the lack of self-shielding against extragalactic ionizing photons. To investigate the prevalence of such breaks in galactic disks and to characterize what determines the potential edge of the H I disks, we study the azimuthally averaged H I column density profiles of 17 nearby galaxies from the H I Nearby Galaxy Survey and supplemented in two cases with published Hydrogen Accretion in LOcal GAlaxieS data. To detect potential faint H I emission that would otherwise be undetected using conventional moment map analysis, we line up individual profiles to the same reference velocity and average them azimuthally to derive stacked radial profiles. To do so, we use model velocity fields created from a simple extrapolation of the rotation curves to align the profiles in velocity at radii beyond the extent probed with the sensitivity of traditional integrated H I maps. With this method, we improve our sensitivity to outer-disk H I emission by up to an order of magnitude. Except for a few disturbed galaxies, none show evidence of a sudden change in the slope of the H I radial profiles: the alleged signature of ionization by the extragalactic background.

  4. On the Origin of the High Column Density Turnover in the HI Column Density Distribution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Erkal, Denis; Gnedin, Nickolay Y.; Kravtsov, Andrey V.

    We study the high column density regime of the HI column density distribution function and argue that there are two distinct features: a turnover at NHI ~ 10^21 cm^-2 which is present at both z=0 and z ~ 3, and a lack of systems above NHI ~ 10^22 cm^-2 at z=0. Using observations of the column density distribution, we argue that the HI-H2 transition does not cause the turnover at NHI ~ 10^21 cm^-2, but can plausibly explain the turnover at NHI > 10^22 cm^-2. We compute the HI column density distribution of individual galaxies in the THINGS sample andmore » show that the turnover column density depends only weakly on metallicity. Furthermore, we show that the column density distribution of galaxies, corrected for inclination, is insensitive to the resolution of the HI map or to averaging in radial shells. Our results indicate that the similarity of HI column density distributions at z=3 and z=0 is due to the similarity of the maximum HI surface densities of high-z and low-z disks, set presumably by universal processes that shape properties of the gaseous disks of galaxies. Using fully cosmological simulations, we explore other candidate physical mechanisms that could produce a turnover in the column density distribution. We show that while turbulence within GMCs cannot affect the DLA column density distribution, stellar feedback can affect it significantly if the feedback is sufficiently effective in removing gas from the central 2-3 kpc of high-redshift galaxies. Finally, we argue that it is meaningful to compare column densities averaged over ~ kpc scales with those estimated from quasar spectra which probe sub-pc scales due to the steep power spectrum of HI column density fluctuations observed in nearby galaxies.« less

  5. A Novel Triple-Pulsed 2-micrometer Lidar for Simultaneous and Independent CO2 and H2O Column Measurement

    NASA Technical Reports Server (NTRS)

    Yu, Jirong; Singh, Upendra; Petros, Mulugeta; Refaat, Tamer

    2015-01-01

    The study of global warming needs precisely and accurately measuring greenhouse gases concentrations in the atmosphere. CO2 and H2O are important greenhouse gases that significantly contribute to the carbon cycle and global radiation budget on Earth. NRC Decadal Survey recommends a mission for Active Sensing of Carbon Dioxide (CO2) over Nights, Days and Seasons (ASCENDS). 2 micron laser is a viable IPDA transmitter to measure CO2 and H2O column density from space. The objective is to demonstrate a first airborne direct detection 2 micron IPDA lidar for CO2 and H2O measurements.

  6. Estimated global nitrogen deposition using NO2 column density

    USGS Publications Warehouse

    Lu, Xuehe; Jiang, Hong; Zhang, Xiuying; Liu, Jinxun; Zhang, Zhen; Jin, Jiaxin; Wang, Ying; Xu, Jianhui; Cheng, Miaomiao

    2013-01-01

    Global nitrogen deposition has increased over the past 100 years. Monitoring and simulation studies of nitrogen deposition have evaluated nitrogen deposition at both the global and regional scale. With the development of remote-sensing instruments, tropospheric NO2 column density retrieved from Global Ozone Monitoring Experiment (GOME) and Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY) sensors now provides us with a new opportunity to understand changes in reactive nitrogen in the atmosphere. The concentration of NO2 in the atmosphere has a significant effect on atmospheric nitrogen deposition. According to the general nitrogen deposition calculation method, we use the principal component regression method to evaluate global nitrogen deposition based on global NO2 column density and meteorological data. From the accuracy of the simulation, about 70% of the land area of the Earth passed a significance test of regression. In addition, NO2 column density has a significant influence on regression results over 44% of global land. The simulated results show that global average nitrogen deposition was 0.34 g m−2 yr−1 from 1996 to 2009 and is increasing at about 1% per year. Our simulated results show that China, Europe, and the USA are the three hotspots of nitrogen deposition according to previous research findings. In this study, Southern Asia was found to be another hotspot of nitrogen deposition (about 1.58 g m−2 yr−1 and maintaining a high growth rate). As nitrogen deposition increases, the number of regions threatened by high nitrogen deposits is also increasing. With N emissions continuing to increase in the future, areas whose ecosystem is affected by high level nitrogen deposition will increase.

  7. Correlations in the three-dimensional Lyman-alpha forest contaminated by high column density absorbers

    NASA Astrophysics Data System (ADS)

    Rogers, Keir K.; Bird, Simeon; Peiris, Hiranya V.; Pontzen, Andrew; Font-Ribera, Andreu; Leistedt, Boris

    2018-05-01

    Correlations measured in three dimensions in the Lyman-alpha forest are contaminated by the presence of the damping wings of high column density (HCD) absorbing systems of neutral hydrogen (H I; having column densities N(H I) > 1.6 × 10^{17} atoms cm^{-2}), which extend significantly beyond the redshift-space location of the absorber. We measure this effect as a function of the column density of the HCD absorbers and redshift by measuring three-dimensional (3D) flux power spectra in cosmological hydrodynamical simulations from the Illustris project. Survey pipelines exclude regions containing the largest damping wings. We find that, even after this procedure, there is a scale-dependent correction to the 3D Lyman-alpha forest flux power spectrum from residual contamination. We model this residual using a simple physical model of the HCD absorbers as linearly biased tracers of the matter density distribution, convolved with their Voigt profiles and integrated over the column density distribution function. We recommend the use of this model over existing models used in data analysis, which approximate the damping wings as top-hats and so miss shape information in the extended wings. The simple `linear Voigt model' is statistically consistent with our simulation results for a mock residual contamination up to small scales (|k| < 1 h Mpc^{-1}). It does not account for the effect of the highest column density absorbers on the smallest scales (e.g. |k| > 0.4 h Mpc^{-1} for small damped Lyman-alpha absorbers; HCD absorbers with N(H I) ˜ 10^{21} atoms cm^{-2}). However, these systems are in any case preferentially removed from survey data. Our model is appropriate for an accurate analysis of the baryon acoustic oscillations feature. It is additionally essential for reconstructing the full shape of the 3D flux power spectrum.

  8. EFFECTS OF ULTRAVIOLET BACKGROUND AND LOCAL STELLAR RADIATION ON THE H I COLUMN DENSITY DISTRIBUTION

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nagamine, Kentaro; Choi, Jun-Hwan; Yajima, Hidenobu, E-mail: kn@physics.unlv.ed

    We study the impact of ultraviolet background (UVB) radiation field and the local stellar radiation on the H I column density distribution f(N{sub H{sub I}}) of damped Ly{alpha} systems (DLAs) and sub-DLAs at z = 3 using cosmological smoothed particle hydrodynamics simulations. We find that, in the previous simulations with an optically thin approximation, the UVB was sinking into the H I cloud too deeply, and therefore we underestimated the f(N{sub H{sub I}}) at 19 < log N{sub H{sub I}} < 21.2 compared to the observations. If the UVB is shut off in the high-density regions with n{sub gas}>6 xmore » 10{sup -3} cm{sup -3}, then we reproduce the observed f(N{sub H{sub I}}) at z = 3 very well. We also investigate the effect of local stellar radiation by postprocessing our simulation with a radiative transfer code and find that the local stellar radiation does not change the f(N{sub H{sub I}}) very much. Our results show that the shape of f(N{sub H{sub I}}) is determined primarily by the UVB with a much weaker effect by the local stellar radiation and that the optically thin approximation often used in cosmological simulation is inadequate to properly treat the ionization structure of neutral gas in and out of DLAs. Our result also indicates that the DLA gas is closely related to the transition region from optically thick neutral gas to optically thin ionized gas within dark matter halos.« less

  9. Isoelectric focusing of red blood cells in a density gradient stabilized column

    NASA Technical Reports Server (NTRS)

    Smolka, A. J. K.; Miller, T. Y.

    1980-01-01

    The effects of Ficoll and cell application pH on red blood cell electrophoretic mobility and focusing pH were investigated by focusing cells in a density gradient stabilized column. Sample loading, cell dispersion, column conductivity, resolution of separation, and the effect of Ampholines were examined.

  10. Simulating the effect of high column density absorbers on the one-dimensional Lyman α forest flux power spectrum

    NASA Astrophysics Data System (ADS)

    Rogers, Keir K.; Bird, Simeon; Peiris, Hiranya V.; Pontzen, Andrew; Font-Ribera, Andreu; Leistedt, Boris

    2018-03-01

    We measure the effect of high column density absorbing systems of neutral hydrogen (H I) on the one-dimensional (1D) Lyman α forest flux power spectrum using cosmological hydrodynamical simulations from the Illustris project. High column density absorbers (which we define to be those with H I column densities N(H I) > 1.6 × 10^{17} atoms cm^{-2}) cause broadened absorption lines with characteristic damping wings. These damping wings bias the 1D Lyman α forest flux power spectrum by causing absorption in quasar spectra away from the location of the absorber itself. We investigate the effect of high column density absorbers on the Lyman α forest using hydrodynamical simulations for the first time. We provide templates as a function of column density and redshift, allowing the flexibility to accurately model residual contamination, i.e. if an analysis selectively clips out the largest damping wings. This flexibility will improve cosmological parameter estimation, for example, allowing more accurate measurement of the shape of the power spectrum, with implications for cosmological models containing massive neutrinos or a running of the spectral index. We provide fitting functions to reproduce these results so that they can be incorporated straightforwardly into a data analysis pipeline.

  11. Remotely operable compact instruments for measuring atmospheric CO2 and CH4 column densities at surface monitoring sites

    NASA Astrophysics Data System (ADS)

    Kobayashi, N.; Inoue, G.; Kawasaki, M.; Yoshioka, H.; Minomura, M.; Murata, I.; Nagahama, T.; Matsumi, Y.; Tanaka, T.; Morino, I.; Ibuki, T.

    2010-08-01

    Remotely operable compact instruments for measuring atmospheric CO2 and CH4 column densities were developed in two independent systems: one utilizing a grating-based desktop optical spectrum analyzer (OSA) with a resolution enough to resolve rotational lines of CO2 and CH4 in the regions of 1565-1585 and 1674-1682 nm, respectively; the other is an application of an optical fiber Fabry-Perot interferometer (FFPI) to obtain the CO2 column density. Direct sunlight was collimated via a small telescope installed on a portable sun tracker and then transmitted through an optical fiber into the OSA or the FFPI for optical analysis. The near infrared spectra of the OSA were retrieved by a least squares spectral fitting algorithm. The CO2 and CH4 column densities deduced were in excellent agreement with those measured by a Fourier transform spectrometer with high resolution. The rovibronic lines in the wavelength region of 1570-1575 nm were analyzed by the FFPI. The I0 and I values in the Beer-Lambert law equation to obtain CO2 column density were deduced by modulating temperature of the FFPI, which offered column CO2 with the statistical error less than 0.2% for six hours measurement.

  12. The H I-to-H2 Transition in a Turbulent Medium

    NASA Astrophysics Data System (ADS)

    Bialy, Shmuel; Burkhart, Blakesley; Sternberg, Amiel

    2017-07-01

    We study the effect of density fluctuations induced by turbulence on the H I/H2 structure in photodissociation regions (PDRs) both analytically and numerically. We perform magnetohydrodynamic numerical simulations for both subsonic and supersonic turbulent gas and chemical H I/H2 balance calculations. We derive atomic-to-molecular density profiles and the H I column density probability density function (PDF) assuming chemical equilibrium. We find that, while the H I/H2 density profiles are strongly perturbed in turbulent gas, the mean H I column density is well approximated by the uniform-density analytic formula of Sternberg et al. The PDF width depends on (a) the radiation intensity-to-mean density ratio, (b) the sonic Mach number, and (c) the turbulence decorrelation scale, or driving scale. We derive an analytic model for the H I PDF and demonstrate how our model, combined with 21 cm observations, can be used to constrain the Mach number and driving scale of turbulent gas. As an example, we apply our model to observations of H I in the Perseus molecular cloud. We show that a narrow observed H I PDF may imply small-scale decorrelation, pointing to the potential importance of subcloud-scale turbulence driving.

  13. C+/H2 gas in star-forming clouds and galaxies

    NASA Astrophysics Data System (ADS)

    Nordon, Raanan; Sternberg, Amiel

    2016-11-01

    We present analytic theory for the total column density of singly ionized carbon (C+) in the optically thick photon dominated regions (PDRs) of far-UV irradiated (star-forming) molecular clouds. We derive a simple formula for the C+ column as a function of the cloud (hydrogen) density, the far-UV field intensity, and metallicity, encompassing the wide range of galaxy conditions. When assuming the typical relation between UV and density in the cold neutral medium, the C+ column becomes a function of the metallicity alone. We verify our analysis with detailed numerical PDR models. For optically thick gas, most of the C+ column is mixed with hydrogen that is primarily molecular (H2), and this `C+/H2' gas layer accounts for almost all of the `CO-dark' molecular gas in PDRs. The C+/H2 column density is limited by dust shielding and is inversely proportional to the metallicity down to ˜0.1 solar. At lower metallicities, H2 line blocking dominates and the C+/H2 column saturates. Applying our theory to CO surveys in low-redshift spirals, we estimate the fraction of C+/H2 gas out of the total molecular gas to be typically ˜0.4. At redshifts 1 < z < 3 in massive disc galaxies the C+/H2 gas represents a very small fraction of the total molecular gas (≲ 0.16). This small fraction at high redshifts is due to the high gas surface densities when compared to local galaxies.

  14. The H i-to-H{sub 2} Transition in a Turbulent Medium

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bialy, Shmuel; Sternberg, Amiel; Burkhart, Blakesley, E-mail: shmuelbi@mail.tau.ac.il

    2017-07-10

    We study the effect of density fluctuations induced by turbulence on the H i/H{sub 2} structure in photodissociation regions (PDRs) both analytically and numerically. We perform magnetohydrodynamic numerical simulations for both subsonic and supersonic turbulent gas and chemical H i/H{sub 2} balance calculations. We derive atomic-to-molecular density profiles and the H i column density probability density function (PDF) assuming chemical equilibrium. We find that, while the H i/H{sub 2} density profiles are strongly perturbed in turbulent gas, the mean H i column density is well approximated by the uniform-density analytic formula of Sternberg et al. The PDF width depends onmore » (a) the radiation intensity–to–mean density ratio, (b) the sonic Mach number, and (c) the turbulence decorrelation scale, or driving scale. We derive an analytic model for the H i PDF and demonstrate how our model, combined with 21 cm observations, can be used to constrain the Mach number and driving scale of turbulent gas. As an example, we apply our model to observations of H i in the Perseus molecular cloud. We show that a narrow observed H i PDF may imply small-scale decorrelation, pointing to the potential importance of subcloud-scale turbulence driving.« less

  15. Relationship between the column density distribution and evolutionary class of molecular clouds as viewed by ATLASGAL

    NASA Astrophysics Data System (ADS)

    Abreu-Vicente, J.; Kainulainen, J.; Stutz, A.; Henning, Th.; Beuther, H.

    2015-09-01

    We present the first study of the relationship between the column density distribution of molecular clouds within nearby Galactic spiral arms and their evolutionary status as measured from their stellar content. We analyze a sample of 195 molecular clouds located at distances below 5.5 kpc, identified from the ATLASGAL 870 μm data. We define three evolutionary classes within this sample: starless clumps, star-forming clouds with associated young stellar objects, and clouds associated with H ii regions. We find that the N(H2) probability density functions (N-PDFs) of these three classes of objects are clearly different: the N-PDFs of starless clumps are narrowest and close to log-normal in shape, while star-forming clouds and H ii regions exhibit a power-law shape over a wide range of column densities and log-normal-like components only at low column densities. We use the N-PDFs to estimate the evolutionary time-scales of the three classes of objects based on a simple analytic model from literature. Finally, we show that the integral of the N-PDFs, the dense gas mass fraction, depends on the total mass of the regions as measured by ATLASGAL: more massive clouds contain greater relative amounts of dense gas across all evolutionary classes. Appendices are available in electronic form at http://www.aanda.org

  16. Evolution of column density distributions within Orion A⋆

    NASA Astrophysics Data System (ADS)

    Stutz, A. M.; Kainulainen, J.

    2015-05-01

    We compare the structure of star-forming molecular clouds in different regions of Orion A to determine how the column density probability distribution function (N-PDF) varies with environmental conditions such as the fraction of young protostars. A correlation between the N-PDF slope and Class 0 protostar fraction has been previously observed in a low-mass star-formation region (Perseus); here we test whether a similar correlation is observed in a high-mass star-forming region. We used Herschel PACS and SPIRE cold dust emission observations to derive a column density map of Orion A. We used the Herschel Orion Protostar Survey catalog to accurately identify and classify the Orion A young stellar object content, including the cold and relatively short-lived Class 0 protostars (with a lifetime of ~0.14 Myr). We divided Orion A into eight independent regions of 0.25 square degrees (13.5 pc2); in each region we fit the N-PDF distribution with a power law, and we measured the fraction of Class 0 protostars. We used a maximum-likelihood method to measure the N-PDF power-law index without binning the column density data. We find that the Class 0 fraction is higher in regions with flatter column density distributions. We tested the effects of incompleteness, extinction-driven misclassification of Class 0 sources, resolution, and adopted pixel-scales. We show that these effects cannot account for the observed trend. Our observations demonstrate an association between the slope of the power-law N-PDF and the Class 0 fractions within Orion A. Various interpretations are discussed, including timescales based on the Class 0 protostar fraction assuming a constant star-formation rate. The observed relation suggests that the N-PDF can be related to an evolutionary state of the gas. If universal, such a relation permits evaluating the evolutionary state from the N-PDF power-law index at much greater distances than those accessible with protostar counts. Appendices are available in

  17. Column densities resulting from shuttle sublimator/evaporator operation. [optical density of nozzle flow containing water vapor

    NASA Technical Reports Server (NTRS)

    Naumann, R. J.

    1973-01-01

    The proposed disposal of H2O from the shuttle fuel cell operation by ejecting it in vapor form through a supersonic nozzle at the rate of 100 lb/day has been investigated from the point of view of the possible interference to astronomical experiments. If the nozzle is located at the tail and directed along the shuttle longitudinal axis, the resulting column density will be less than 10 to th 12th power molecules/sq cm at viewing angles larger than 48 deg above the longitudinal axis. The molecules in the trail will diffuse rapidly. The column density contribution from molecules expelled on the previous orbit is 1.3 x 10 to the 8th power molecules/sq cm. This contribution diminishes by the inverse square root of the number of orbits since the molecules were expelled. The molecular backscatter from atmospheric molecules is also calculated. If the plume is directed into the flight path, the column density along a perpendicular is found to be 1.5 x 10 to the 11th power molecules/sq cm. The return flux is estimated to be of the order of 10 to the 12th power molecules/sq cm/sec at the stagnation point. With reasonable care in design of experiments to protect them from the backscatter flux of water molecules, the expulsion of 100 lb/day does not appear to create an insurmountable difficulty for the shuttle experiments.

  18. Observational discrimination between modes of shock propagation in interstellar clouds: Predictions of CH+ and SH+ column densities in diffuse clouds

    NASA Technical Reports Server (NTRS)

    Flower, D. R.; Desforets, G. P.; Roueff, E.; Hartquist, T. W.

    1986-01-01

    Considerable effort in recent years has been devoted to the study of shocks in the diffuse interstellar medium. This work has been motivated partly by the observations of rotationally excited states of H2, and partly by the realization that species such as CH(+), OH and H2O might be formed preferentially in hot, post-shock gas. The problem of CH(+) and the difficulties encountered when trying to explain the high column densities, observed along lines of sight to certain hot stars, have been reviewed earlier. The importance of a transverse magnetic field on the structure of an interstellar shock was also demonstrated earlier. Transverse magnetic fields above a critical strength give rise to an acceleration zone or precursor, in which the parameters on the flow vary continuously. Chemical reactions, which change the degree of ionization of the gas, also modify the structure of the shock considerably. Recent work has shown that large column densities of CH(+) can be produced in magnetohydrodynamic shock models. Shock speeds U sub s approx. = 10 km/s and initial magnetic field strengths of a few micro G are sufficient to produce ion-neutral drift velocities which can drive the endothermic C(+)(H2,H)CH(+) reaction. It was also shown that single-fluid hydrodynamic models do not generate sufficiently large column densities of CH(+) unless unacceptably high shock velocities (u sub s approx. 20 km/s) are assumed in the models. Thus, the observed column densities of CH(+) provide a constraint on the mode of shock propagation in diffuse clouds. More precisely, they determine a lower limit to the ion-neutral drift velocity.

  19. Density Gradient Columns for Chemical Displays.

    ERIC Educational Resources Information Center

    Guenther, William B.

    1986-01-01

    Procedures for preparing density gradient columns for chemical displays are presented. They include displays illustrating acid-base reactions, metal ion equilibria, and liquid density. The lifetime of these metastable displays is surprising, some lasting for months in display cabinets. (JN)

  20. Detections of Long Carbon Chains CH_{3}CCCCH, C_{6}H, LINEAR-C_{6}H_{2} and C_{7}H in the Low-Mass Star Forming Region L1527

    NASA Astrophysics Data System (ADS)

    Araki, Mitsunori; Takano, Shuro; Sakai, Nami; Yamamoto, Satoshi; Oyama, Takahiro; Kuze, Nobuhiko; Tsukiyama, Koichi

    2017-06-01

    Carbon chains in the warm carbon chain chemistry (WCCC) region has been searched in the 42-44 GHz region by using Green Bank 100 m telescope. Long carbon chains C_{7}H, C_{6}H, CH_{3}CCCCH, and linear-C_{6}H_{2} and cyclic species C_{3}H and C_{3}H_{2}O have been detected in the low-mass star forming region L1527, performing the WCCC. C_{7}H was detected for the first time in molecular clouds. The column density of C_{7}H is derived to be 6.2 × 10^{10} cm^{-2} by using the detected J = 24.5-23.5 and 25.5-24.5 rotational lines. The ^{2}Π_{1/2} electronic state of C_{6}H, locating 21.6 K above the ^{2}Π_{3/2} electronic ground state, and the K_a = 0 line of the para species of linear-C_{6}H_{2} were also detected firstly in molecular clouds. The column densities of the ^{2}Π_{1/2} and ^{2}Π_{3/2} states of C_{6}H in L1527 were derived to be 1.6 × 10^{11} and 1.1 × 10^{12} cm^{-2}, respectively. The total column density of linear-C_{6}H_{2} is obtained to be 1.86 × 10^{11} cm^{-2}. While the abundance ratios of carbon chains in between L1527 and the starless dark cloud Taurus Molecular Cloud-1 Cyanopolyyne Peak (TMC-1 CP) have a trend of decrease by extension of carbon-chain length, column densities of CH_{3}CCCCH and C_{6}H are on the trend. However, the column densities of linear-C_{6}H_{2}, and C_{7}H are as abundant as those of TMC-1 CP in spite of long carbon chain, i.e., they are not on the trend. The abundances of linear-C_{6}H_{2} and C_{7}H show that L1527 is rich for long carbon chains as well as TMC-1 CP.

  1. Green bank telescope observations of low column density H I around NGC 2997 and NGC 6946

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pisano, D. J., E-mail: djpisano@mail.wvu.edu

    Observations of ongoing H I accretion in nearby galaxies have only identified about 10% of the fuel necessary to sustain star formation in these galaxies. Most of these observations have been conducted using interferometers and may have missed lower column density, diffuse, H I gas that may trace the missing 90% of gas. Such gas may represent the so-called cold flows predicted by current theories of galaxy formation to have never been heated above the virial temperature of the dark matter halo. As a first attempt to identify such cold flows around nearby galaxies and complete the census of Hmore » I down to N {sub H} {sub I} ∼ 10{sup 18} cm{sup –2}, I used the Robert C. Byrd Green Bank Telescope (GBT) to map the circumgalactic (r ≲ 100-200 kpc) H I environment around NGC 2997 and NGC 6946. The resulting GBT observations cover a 4 deg{sup 2} area around each galaxy with a 5σ detection limit of N{sub H} {sub I} ∼ 10{sup 18} cm{sup –2} over a 20 km s{sup –1} line width. This project complements absorption line studies, which are well-suited to the regime of lower N{sub H} {sub I}. Around NGC 2997, the GBT H I data reveal an extended H I disk and all of its surrounding gas-rich satellite galaxies, but no filamentary features. Furthermore, the H I mass as measured with the GBT is only 7% higher than past interferometric measurements. After correcting for resolution differences, the H I extent of the galaxy is 23% larger at the N{sub H} {sub I} = 1.2 × 10{sup 18} cm{sup –2} level as measured by the GBT. On the other hand, the H I observations of NGC 6946 reveal a filamentary feature apparently connecting NGC 6946 with its nearest companions. This H I filament has N{sub H} {sub I} ∼ 5 × 10{sup 18} cm{sup –2} and an FWHM of 55 ± 5 km s{sup –1} and was invisible in past interferometer observations. The properties of this filament are broadly consistent with being a cold flow or debris from a past tidal interaction between NGC 6946 and its

  2. HIDEEP - an extragalactic blind survey for very low column-density neutral hydrogen

    NASA Astrophysics Data System (ADS)

    Minchin, R. F.; Disney, M. J.; Boyce, P. J.; de Blok, W. J. G.; Parker, Q. A.; Banks, G. D.; Freeman, K. C.; Garcia, D. A.; Gibson, B. K.; Grossi, M.; Haynes, R. F.; Knezek, P. M.; Lang, R. H.; Malin, D. F.; Price, R. M.; Stewart, I. M.; Wright, A. E.

    2003-12-01

    We have carried out an extremely long integration time (9000 s beam-1) 21-cm blind survey of 60 deg2 in Centaurus using the Parkes multibeam system. We find that the noise continues to fall as throughout, enabling us to reach an HI column-density limit of 4.2 × 1018 cm-2 for galaxies with a velocity width of 200 km s-1 in the central 32 deg2 region, making this the deepest survey to date in terms of column density sensitivity. The HI data are complemented by very deep optical observations from digital stacking of multi-exposure UK Schmidt Telescope R-band films, which reach an isophotal level of 26.5 R mag arcsec-2 (~=27.5 B mag arcsec-2). 173 HI sources have been found, 96 of which have been uniquely identified with optical counterparts in the overlap area. There is not a single source without an optical counterpart. Although we have not measured the column densities directly, we have inferred them from the optical sizes of their counterparts. All appear to have a column density of NHI= 1020.65+/-0.38. This is at least an order of magnitude above our sensitivity limit, with a scatter only marginally larger than the errors on NHI. This needs explaining. If confirmed it means that HI surveys will only find low surface brightness (LSB) galaxies with high MHI/LB. Gas-rich LSB galaxies with lower HI mass to light ratios do not exist. The paucity of low column-density galaxies also implies that no significant population will be missed by the all-sky HI surveys being carried out at Parkes and Jodrell Bank.

  3. Single fiber lignin distributions based on the density gradient column method

    Treesearch

    Brian Boyer; Alan W. Rudie

    2007-01-01

    The density gradient column method was used to determine the effects of uniform and non-uniform pulping processes on variation in individual fiber lignin concentrations of the resulting pulps. A density gradient column uses solvents of different densities and a mixing process to produce a column of liquid with a smooth transition from higher density at the bottom to...

  4. Detection of a new interstellar molecule, H2CN

    NASA Technical Reports Server (NTRS)

    Ohishi, Masatoshi; Mcgonagle, Douglas; Irvine, William M.; Yamamoto, Satoshi; Saito, Shuji

    1994-01-01

    We have detected a new interstellar molecule, H2CN (methylene amidogen), in the cold, dark molecular cloud TMC-1. The column density of H2CN is estimated to be approximately 1.5 x 10(exp 11) cm(exp -2) by assuming an excitation temperature of 5 K. This column density corresponds to a fractional abundance relative to H2 of approximately 1.5 x 10(exp -11). This value is more than three orders of magnitude less than the abundance of the related molecule HCN in TMC-1. We also report a tentative detection of H2CN in Sgr B2(N). The formation mechanism of H2CN is discussed. Our detection of the N2CN molecule may suggest the existence of a new series of carbon-chain molecules, CH2C(n)N (N = 0, 1, 2, ...).

  5. COS Observations of Molecular H2 at z = 0.248

    NASA Astrophysics Data System (ADS)

    Kruse, Ethan; Tumlinson, J.; Thom, C.; Sembach, K.

    2011-01-01

    We present HST/COS observations of a QSO sightline through the halo of two merging galaxies at z = 0.25 at impact parameter 90 kpc. This sightline presents the first example of strong H2 absorption features in our large COS survey of galaxy halo gas at low redshift (COS-Halos, Tumlinson et al.). COS spectra reveal a sub-DLA at z = 0.2478 which splits into two components separated by 70 km/s. One component appears to contain more high-ionization states and less neutral H I while the other favors neutral atoms and contains a strong H2 signature (J = 0-3) along with the majority of the H I. Aside from H2 we detect O I, N I and N II, Si II and Si III, and C II. We find a total H2 column density of N(H2) = 16.89 and an H2 fraction of f_{H2} = 0.0034. Fitting the unblended H2 lines from 0-0 to 15-0 to a curve of growth we find a best fit with b = 11.8 km s-1. Due to the full saturation of all Lyman lines, we are unable to separate the H I column density into the two components and therefore cannot get a direct metallicity for either cloud. However through Cloudy modelling we are able to estimate a H I column density and ionization correction in each component and therefore obtain an approximate metallicity through O I absorption. This system shows similar features to a portion of the Magellanic Stream studied by Sembach et al. 2006. Both sightlines have comparable H I and H2 columns, H2 excitation temperatures, and similar metallicities, suggesting this sightline could be a distant counterpart to the Magellanic Stream, perhaps stripped from an unseen companion galaxy to the two merger partners.

  6. Analysis of Mexico City urban air pollution using nitrogen dioxide column density measurements from UV/Visible spectroscopy

    NASA Astrophysics Data System (ADS)

    Garcia Payne, D. G.; Grutter, M.; Melamed, M. L.

    2010-12-01

    The differential optical absorption spectroscopy method (DOAS) was used to get column densities of nitrogen dioxide (NO2) from the analysis of zenith sky UV/visible spectra. Since the optical path length provides critical information in interpreting NO2 column densities, in conjunction with NO2 column densities, the oxygen dimer (O4) column density was retrieved to give insight into the optical path length. We report observations of year round NO2 and O4 column densities (from august 2009 to september 2010) from which the mean seasonal levels and the daily evolution, as well as the occurrence of elevated pollution episodes are examined. Surface nitric oxide (NO) and NO2 from the local monitoring network, as well as wind data and the vertical aerosol density from continuous Lidar measurements are used in the analysis to investigate specific events in the context of local emissions from vehicular traffic, photochemical production and transport from industrial emissions. The NO2 column density measurements will enhance the understanding Mexico City urban air pollution. Recent research has begun to unravel the complexity of the air pollution problem in Mexico City and its effects not only locally but on a regional and global scale as well.

  7. The Orion Fingers: H2 Temperatures and Excitation in an Explosive Outflow

    NASA Astrophysics Data System (ADS)

    Youngblood, Allison; France, Kevin; Ginsburg, Adam; Hoadley, Keri; Bally, John

    2018-04-01

    We measure H2 temperatures and column densities across the Orion Becklin-Neugebauer/Kleinmann-Low (BN/KL) explosive outflow from a set of 13 near-infrared (IR) H2 rovibrational emission lines observed with the TripleSpec spectrograph on Apache Point Observatory’s 3.5 m telescope. We find that most of the region is well characterized by a single temperature (∼2000–2500 K), which may be influenced by the limited range of upper-energy levels (6000–20,000 K) probed by our data set. The H2 column density maps indicate that warm H2 comprises 10‑5–10‑3 of the total H2 column density near the center of the outflow. Combining column density measurements for co-spatial H2 and CO at T = 2500 K, we measure a CO/H2 fractional abundance of 2 × 10‑3 and discuss possible reasons why this value is in excess of the canonical 10‑4 value, including dust attenuation, incorrect assumptions on co-spatiality of the H2 and CO emission, and chemical processing in an extreme environment. We model the radiative transfer of H2 in this region with ultraviolet (UV) pumping models to look for signatures of H2 fluorescence from H I Lyα pumping. Dissociative (J-type) shocks and nebular emission from the foreground Orion H II region are considered as possible Lyα sources. From our radiative transfer models, we predict that signatures of Lyα pumping should be detectable in near-IR line ratios given a sufficiently strong source, but such a source is not present in the BN/KL outflow. The data are consistent with shocks as the H2 heating source.

  8. Molecular column densities in selected model atmospheres. [chemical analysis of carbon stars

    NASA Technical Reports Server (NTRS)

    Johnson, H. R.; Beebe, R. F.; Sneden, C.

    1974-01-01

    From an examination of predicted column densities, the following conclusions were drawn: (1) The SiO ought to be visible in carbon stars which were generated from triple alpha burning, but absent from carbon stars generated from the CNO bi-cycle. (2) Variation in the observed relative strengths of TiO and ZrO is indicative of real differences in the ratio Ti/Zr. (3) The TiO/ZrO ratio shows a small variation as C/O and effective temperature is changed. (4) Column density of silicon dicarbide (SiC2) is sensitive to abundance, temperature, and gravity; hence all relationships between the strength of SiC2 and other stellar parameters will show appreciable scatter. There is however, a substantial luminosity effect present in the SiC2 column densities. (5) Unexpectedly, SiC2 is anti-correlated with C2. (6) The presence of SiC2 in a carbon star eliminates the possibility of these stars having temperatures greater than or equal to 3000 K, or being produced through the CNO bi-cycle.

  9. Analytic H I-to-H2 Photodissociation Transition Profiles

    NASA Astrophysics Data System (ADS)

    Bialy, Shmuel; Sternberg, Amiel

    2016-05-01

    We present a simple analytic procedure for generating atomic (H I) to molecular ({{{H}}}2) density profiles for optically thick hydrogen gas clouds illuminated by far-ultraviolet radiation fields. Our procedure is based on the analytic theory for the structure of one-dimensional H I/{{{H}}}2 photon-dominated regions, presented by Sternberg et al. Depth-dependent atomic and molecular density fractions may be computed for arbitrary gas density, far-ultraviolet field intensity, and the metallicity-dependent H2 formation rate coefficient, and dust absorption cross section in the Lyman-Werner photodissociation band. We use our procedure to generate a set of {{H}} {{I}}{-}{to}{-}{{{H}}}2 transition profiles for a wide range of conditions, from the weak- to strong-field limits, and from super-solar down to low metallicities. We show that if presented as functions of dust optical depth, the {{H}} {{I}} and {{{H}}}2 density profiles depend primarily on the Sternberg “α G parameter” (dimensionless) that determines the dust optical depth associated with the total photodissociated {{H}} {{I}} column. We derive a universal analytic formula for the {{H}} {{I}}{-}{to}{-}{{{H}}}2 transition points as a function of just α G. Our formula will be useful for interpreting emission-line observations of H I/{{{H}}}2 interfaces, for estimating star formation thresholds, and for sub-grid components in hydrodynamics simulations.

  10. H I-to-H2 Transition Layers in the Star-forming Region W43

    NASA Astrophysics Data System (ADS)

    Bialy, Shmuel; Bihr, Simon; Beuther, Henrik; Henning, Thomas; Sternberg, Amiel

    2017-02-01

    The process of atomic-to-molecular (H I-to-H2) gas conversion is fundamental for molecular-cloud formation and star formation. 21 cm observations of the star-forming region W43 revealed extremely high H I column densities, of 120-180 {M}⊙ {{pc}}-2, a factor of 10-20 larger than predicted by H I-to-H2 transition theories. We analyze the observed H I with a theoretical model of the H I-to-H2 transition, and show that the discrepancy between theory and observation cannot be explained by the intense radiation in W43, nor be explained by variations of the assumed volume density or H2 formation rate coefficient. We show that the large observed H I columns are naturally explained by several (9-22) H I-to-H2 transition layers, superimposed along the sightlines of W43. We discuss other possible interpretations such as a non-steady-state scenario and inefficient dust absorption. The case of W43 suggests that H I thresholds reported in extragalactic observations are probably not associated with a single H I-to-H2 transition, but are rather a result of several transition layers (clouds) along the sightlines, beam-diluted with diffuse intercloud gas.

  11. Understanding star formation in molecular clouds. I. Effects of line-of-sight contamination on the column density structure

    NASA Astrophysics Data System (ADS)

    Schneider, N.; Ossenkopf, V.; Csengeri, T.; Klessen, R. S.; Federrath, C.; Tremblin, P.; Girichidis, P.; Bontemps, S.; André, Ph.

    2015-03-01

    Column-density maps of molecular clouds are one of the most important observables in the context of molecular cloud- and star-formation (SF) studies. With the Herschel satellite it is now possible to precisely determine the column density from dust emission, which is the best tracer of the bulk of material in molecular clouds. However, line-of-sight (LOS) contamination from fore- or background clouds can lead to overestimating the dust emission of molecular clouds, in particular for distant clouds. This implies values that are too high for column density and mass, which can potentially lead to an incorrect physical interpretation of the column density probability distribution function (PDF). In this paper, we use observations and simulations to demonstrate how LOS contamination affects the PDF. We apply a first-order approximation (removing a constant level) to the molecular clouds of Auriga and Maddalena (low-mass star-forming), and Carina and NGC 3603 (both high-mass SF regions). In perfect agreement with the simulations, we find that the PDFs become broader, the peak shifts to lower column densities, and the power-law tail of the PDF for higher column densities flattens after correction. All corrected PDFs have a lognormal part for low column densities with a peak at Av ~ 2 mag, a deviation point (DP) from the lognormal at Av(DP) ~ 4-5 mag, and a power-law tail for higher column densities. Assuming an equivalent spherical density distribution ρ ∝ r- α, the slopes of the power-law tails correspond to αPDF = 1.8, 1.75, and 2.5 for Auriga, Carina, and NGC 3603. These numbers agree within the uncertainties with the values of α ≈ 1.5,1.8, and 2.5 determined from the slope γ (with α = 1-γ) obtained from the radial column density profiles (N ∝ rγ). While α ~ 1.5-2 is consistent with a structure dominated by collapse (local free-fall collapse of individual cores and clumps and global collapse), the higher value of α > 2 for NGC 3603 requires a physical

  12. Galactic cold cores. IX. Column density structures and radiative-transfer modelling

    NASA Astrophysics Data System (ADS)

    Juvela, M.; Malinen, J.; Montillaud, J.; Pelkonen, V.-M.; Ristorcelli, I.; Tóth, L. V.

    2018-06-01

    Context. The Galactic Cold Cores (GCC) project has made Herschel photometric observations of interstellar clouds where Planck detected compact sources of cold dust emission. The fields are in different environments and stages of star formation. Aims: Our aim is to characterise the structure of the clumps and their parent clouds, and to study the connections between the environment and the formation of gravitationally bound objects. We also examine the accuracy to which the structure of dense clumps can be determined from sub-millimetre data. Methods: We use standard statistical methods to characterise the GCC fields. Individual clumps are extracted using column density thresholding. Based on sub-millimetre measurements, we construct a three-dimensional radiative transfer (RT) model for each field. These are used to estimate the relative radiation field intensities, to probe the clump stability, and to examine the uncertainty of column density estimates. We examine the structural parameters of the clumps, including their radial column density profiles. Results: In the GCC fields, the structure noise follows the relations previously established at larger scales and in lower-density clouds. The fractal dimension has no significant dependence on column density and the values DP = 1.25 ± 0.07 are only slightly lower than in typical molecular clouds. The column density probability density functions (PDFs) exhibit large variations, for example, in the case of externally compressed clouds. At scales r > 0.1 pc, the radial column density distributions of the clouds follow an average relation of N r-1. In spite of a great variety of clump morphologies (and a typical aspect ratio of 1.5), clumps tend to follow a similar N r-1 relation below r 0.1 pc. RT calculations indicate only factor 2.5 variation in the local radiation field intensity. The fraction of gravitationally bound clumps increases significantly in regions with AV > 5 mag but most bound objects appear to be

  13. Behaviors of Absolute Densities of N, H, and NH3 at Remote Region of High-Density Radical Source Employing N2-H2 Mixture Plasmas

    NASA Astrophysics Data System (ADS)

    Chen, Shang; Kondo, Hiroki; Ishikawa, Kenji; Takeda, Keigo; Sekine, Makoto; Kano, Hiroyuki; Den, Shoji; Hori, Masaru

    2011-01-01

    For an innovation of molecular-beam-epitaxial (MBE) growth of gallium nitride (GaN), the measurements of absolute densities of N, H, and NH3 at the remote region of the radical source excited by plasmas have become absolutely imperative. By vacuum ultraviolet absorption spectroscopy (VUVAS) at a relatively low pressure of about 1 Pa, we obtained a N atom density of 9×1012 cm-3 for a pure nitrogen gas used, a H atom density of 7×1012 cm-3 for a gas composition of 80% hydrogen mixed with nitrogen gas were measured. The maximum density 2×1013 cm-3 of NH3 was measured by quadruple mass spectrometry (QMS) at H2/(N2+H2)=60%. Moreover, we found that N atom density was considerably affected by processing history, where the characteristic instability was observed during the pure nitrogen plasma discharge sequentially after the hydrogen-containing plasma discharge. These results indicate imply the importance of establishing radical-based processes to control precisely the absolute densities of N, H, and NH3 at the remote region of the radical source.

  14. Efficiency gain limits of the parallel segmented inlet and outlet flow concept in analytical liquid chromatography columns suffering from radial transcolumn packing density gradients.

    PubMed

    Broeckhoven, Ken; Desmet, Gert

    2012-10-05

    The maximal gain in efficiency that can be expected from the use of the segmented column end fittings that were recently introduced to alleviate the effect of transcolumn packing density gradients has been quantified and generalized using numerical computations of the band broadening process. It was found that, for an unretained compound in a column with a parabolic packing density gradient, the use of a segmented inlet or a segmented outlet allows to eliminate about 60-100% of the plate height contribution (H(tc)) originating from a parabolic transcolumn velocity gradient in a d(c)=4.6 mm column. In a d(c)=2.1 mm column, these percentages change from 10 to 100%. Using a combined segmented in- and outlet, H(tc) can be reduced by about 90-100% (d(c)=4.6 mm column) or 20-100% (d(c)=2.1 mm column). The strong variation of these gain percentages is due to fact that they depend very strongly on the column length and the flow rate. Dimensionless graphs have been established that allow to directly quantify the effect for each specific case. It was also found that, in agreement with one's physical intuition, trans-column velocity profiles that are more flat in the central region benefit more from the concept than sharp, parabolic-like profiles. The gain margins furthermore tend to become smaller with increasing retention and increasing diffusion coefficient. Copyright © 2012 Elsevier B.V. All rights reserved.

  15. Radiation-damped profiles of extremely high column density neutral hydrogen: implications of cosmic reionization

    NASA Astrophysics Data System (ADS)

    Bach, Kiehunn

    2017-01-01

    Incorporating the time-dependent second-order perturbation theory for the Lyman scattering cross-section, we investigate the intergalactic absorption profiles of extremely high column density systems near the end of cosmic reionization. Assuming a representative set of the redshift distribution of neutral hydrogen, we quantitatively examined the impact of inhomogeneous density on the intrinsic absorption profiles. The cumulative absorption by neutral patches in the line of sight mainly affects the far off-centre region of the red damping wing, but the effect is not significant. The shape of the line centre can be modified by the near-zone distribution due to high opacities of the near-resonance scattering. On the other hand, the HWHM (half width at half-maximum) as an effective line width is relatively less sensitive to the local inhomogeneity. Specifically, when the two local damping wings of Lyα and Lyβ are close in spectra of the strongly damped systems, accurate profiles of both lines are required. In the case of N_{H I}≲ 10^{21} { cm^{-2}}, the two-level approximation is marginally applicable for the damping wing fit within 5 - 7 per cent errors. However, as the local column density reaches N_{H I}˜ 10^{22.3} { cm^{-2}}, this classical approximation yields a relative error of a 10 per cent overestimation in the red wing and a 20 per cent underestimation in the blue wing of Lyα. If severe extinction by the Lyα forests is carefully subtracted, the intrinsic absorption profile will provide a better constraint on the local ionized states. For practical applications, an analytic fitting function for the Lyβ scattering is derived.

  16. A full-mission data set of H2O and HDO columns from SCIAMACHY 2.3 µm reflectance measurements

    NASA Astrophysics Data System (ADS)

    Schneider, Andreas; Borsdorff, Tobias; aan de Brugh, Joost; Hu, Haili; Landgraf, Jochen

    2018-06-01

    A new data set of vertical column densities of the water vapour isotopologues H2O and HDO from the SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY (SCIAMACHY) instrument for the whole of the mission period from January 2003 to April 2012 is presented. The data are retrieved from reflectance measurements in the spectral range 2339 to 2383 nm with the Shortwave Infrared CO Retrieval (SICOR) algorithm, ignoring atmospheric light scattering in the measurement simulation. The retrievals are validated with ground-based Fourier transform infrared measurements obtained within the Multi-platform remote Sensing of Isotopologues for investigating the Cycle of Atmospheric water (MUSICA) project. A good agreement for low-altitude stations is found with an average bias of -3.6×1021 for H2O and -1.0×1018 molec cm-2 for HDO. The a posteriori computed δD shows an average bias of -8 ‰, even though polar stations have a larger negative bias. The latter is due to the large amount of sensor noise in SCIAMACHY in combination with low albedo and high solar zenith angles. To demonstrate the benefit of accounting for light scattering in the retrieval, the quality of the data product fitting effective cloud parameters simultaneously with trace gas columns is evaluated in a dedicated case study for measurements round high-altitude stations. Due to a large altitude difference between the satellite ground pixel and the mountain station, clear-sky scenes yield a large bias, resulting in a δD bias of 125 ‰. When selecting scenes with optically thick clouds within 1000 m above or below the station altitude, the bias in a posteriori δD is reduced from 125 to 44 ‰. The insights from the present study will also benefit the analysis of the data from the new Sentinel-5 Precursor mission.

  17. Modifications of the Relation Between Cosmic Ray Ionization Rate ζ and H_{3}^{+} Column Density in the Central Molecular Zone of the Galactic Center

    NASA Astrophysics Data System (ADS)

    Oka, Takeshi

    2017-06-01

    In deriving the simple formula, ζL=2k_eN(H_{3}^{+})(n_C/n_H)_SVR/f(H_{2}), used to estimate cosmic ray H_{2} ionization rate ζ from observed H_3^+ column density N(H_3^+) in the Central Molecular Zone (CMZ) of the Galactic center (GC), the following two effects were neglected: (1) the charge exchange reaction H_2^+ + HH_2 + H^+ which significantly reduces H_3^+ production rate if the fraction of molecular hydrogen f(H_2) is much lower than 1, and (2) the production of electrons from ionization of H_2 and H which greatly increases the H_3^+ destruction rate if ζ is much higher than 10^{-15} s^{-1}. (Only electrons from VUV first ionization of C atoms had been considered). Recent more extensive analysis using the Meudon PDR code by Le Petit et al. has indicated that these effects are not negligible in the CMZ. While an extensive chemical model calculation is beyond the scope of our analysis, we have attempted to use our simple model considering only hydrogenic species and electrons to take these two effects into account. When (1) is introduced, the rate of H_3^+ production is approximated to be ζn_H[f(H_2)]^2, which is ˜ 3 times lower than the previous value for f(H_2) = 0.6 reported by Le Petit et al.^{c} When (2) is taken into account, the electron number density is approximated to be n_e = n_CR + ζn_H/[2k_en(H_3^+)] where the first and second term represents electrons from the C atoms and those from H_2 and H, respectively. The first term (in which R represents the increase of metallicity from the solar vicinity to the GC, R ≥ 3) has the electron fraction x_e = 5 × 10^{-4} and the second term becomes significant at ζ ˜ 10^{-15} s^{-1}. This introduces a non-linearity between ζ and N(H_3^+) and the latter reaches a maximum at ζ ˜ 10^{-14} s^{-1} and decreases as ζ increases further. Application of the results to the observed N(H_3^+) will be discussed. Oka, T., Geballe, T. R., Goto, M., Usuda, T., McCall, B. J. 2005, ApJ, 632, 882 Indriolo, N

  18. MAX-DOAS measurements of NO2 column densities in Vienna

    NASA Astrophysics Data System (ADS)

    Schreier, Stefan; Weihs, Philipp; Peters, Enno; Richter, Andreas; Ostendorf, Mareike; Schönhardt, Anja; Burrows, John P.; Schmalwieser, Alois

    2017-04-01

    In the VINDOBONA (VIenna horizontal aNd vertical Distribution OBservations Of Nitrogen dioxide and Aerosols) project, two Multi AXis Differential Optical Absorption Spectroscopy (MAX-DOAS) systems will be set up at two different locations and altitudes in Vienna, Austria. After comparison measurements in Bremen, Germany, and Cabauw, The Netherlands, the first of the two MAX-DOAS instruments was set up at the University of Veterinary Medicine in the northeastern part of Vienna in December 2016. The instrument performs spectral measurements of visible scattered sunlight at defined horizontal and vertical viewing directions. From these measurements, column densities of NO2 and aerosols are derived by applying the DOAS analysis. First preliminary results are presented. The second MAX-DOAS instrument will be set up in April/May 2017 at the University of Natural Resources and Life Sciences in the northwestern part of Vienna. Once these two instruments are measuring simultaneously, small campaigns including car DOAS zenith-sky and tower DOAS off-axis measurements are planned. The main emphasis of this project will be on the installation and operation of two MAX-DOAS instruments, the improvement of tropospheric NO2 and aerosol retrieval, and the characterization of the horizontal, vertical, and temporal variations of tropospheric NO2 and aerosols in Vienna, Austria.

  19. The structure of galactic HI in directions of low total column density

    NASA Technical Reports Server (NTRS)

    Lockman, F. J.; Jahoda, K.; Mccammon, D.

    1985-01-01

    A detailed 21 cm study of areas of that have the smallest known amount of HI in the northern sky was performed. These observations were corrected for stray radiation. The region of main interest, around alpha = 10(h)45(m), delta = 57 deg 20', has a minimium N(HI) of 4.5 x 10 to the 19th power/sq cm. Spectra taken at 21' resolution over a field 4 x 3 deg in this direction show up to four HI line components. Two, near 0 and -50 km/s, are ubiquitous. There is also a narrow component at -10 km/s attributable to a diffuse cloud covering half of the field, and scattered patches of HI at v -100 km/s. the low and intermediate velocity components have a broad line width and are so smoothly distributed across the region that it is unlikely that they contain significant unresolved angular structure. Eight other low column density directions were also observed. Their spectra typically have several components, but the total column density is always 7 x 10 to the 19th power/sq cm and changes smoothly along a 2 deg strip. Half of the directions show narrow lines arising from weak diffuse HI clouds that contain 0.5 to 3.0 x 10 to the 19th power/sq cm.

  20. NO2 Total and Tropospheric Vertical Column Densities from OMI on EOS Aura: Update

    NASA Technical Reports Server (NTRS)

    Gleason, J.F.; Bucsela, E.J.; Celarier, E.A.; Veefkind, J.P.; Kim, S.W.; Frost, G.F.

    2009-01-01

    The Ozone Monitoring Instrument (OMI), which is on the EOS AURA satellite, retrieves vertical column densities (VCDs) of NO2, along with those of several other trace gases. The relatively high spatial resolution and daily global coverage of the instrument make it particularly well-suited to monitoring tropospheric pollution at scales on the order of 20 km. The OMI NO2 algorithm distinguishes polluted regions from background stratospheric NO2 using a separation algorithm that relies on the smoothly varying stratospheric NO2 and estimations of both stratospheric and tropospheric air mass factors (AMFs). Version 1 of OMI NO2 data has been released for public use. An overview of OMI NO2 data, some recent results and a description of the improvements for version 2 of the algorithm will be presented.

  1. The shapes of column density PDFs. The importance of the last closed contour

    NASA Astrophysics Data System (ADS)

    Alves, João; Lombardi, Marco; Lada, Charles J.

    2017-10-01

    The probability distribution function of column density (PDF) has become the tool of choice for cloud structure analysis and star formation studies. Its simplicity is attractive, and the PDF could offer access to cloud physical parameters otherwise difficult to measure, but there has been some confusion in the literature on the definition of its completeness limit and shape at the low column density end. In this letter we use the natural definition of the completeness limit of a column density PDF, the last closed column density contour inside a surveyed region, and apply it to a set of large-scale maps of nearby molecular clouds. We conclude that there is no observational evidence for log-normal PDFs in these objects. We find that all studied molecular clouds have PDFs well described by power laws, including the diffuse cloud Polaris. Our results call for a new physical interpretation of the shape of the column density PDFs. We find that the slope of a cloud PDF is invariant to distance but not to the spatial arrangement of cloud material, and as such it is still a useful tool for investigating cloud structure.

  2. Column-to-column packing variation of disposable pre-packed columns for protein chromatography.

    PubMed

    Schweiger, Susanne; Hinterberger, Stephan; Jungbauer, Alois

    2017-12-08

    In the biopharmaceutical industry, pre-packed columns are the standard for process development, but they must be qualified before use in experimental studies to confirm the required performance of the packed bed. Column qualification is commonly done by pulse response experiments and depends highly on the experimental testing conditions. Additionally, the peak analysis method, the variation in the 3D packing structure of the bed, and the measurement precision of the workstation influence the outcome of qualification runs. While a full body of literature on these factors is available for HPLC columns, no comparable studies exist for preparative columns for protein chromatography. We quantified the influence of these parameters for commercially available pre-packed and self-packed columns of disposable and non-disposable design. Pulse response experiments were performed on 105 preparative chromatography columns with volumes of 0.2-20ml. The analyte acetone was studied at six different superficial velocities (30, 60, 100, 150, 250 and 500cm/h). The column-to-column packing variation between disposable pre-packed columns of different diameter-length combinations varied by 10-15%, which was acceptable for the intended use. The column-to-column variation cannot be explained by the packing density, but is interpreted as a difference in particle arrangement in the column. Since it was possible to determine differences in the column-to-column performance, we concluded that the columns were well-packed. The measurement precision of the chromatography workstation was independent of the column volume and was in a range of±0.01ml for the first peak moment and±0.007 ml 2 for the second moment. The measurement precision must be considered for small columns in the range of 2ml or less. The efficiency of disposable pre-packed columns was equal or better than that of self-packed columns. Copyright © 2017 The Author(s). Published by Elsevier B.V. All rights reserved.

  3. How well does CO emission measure the H2 mass of MCs?

    NASA Astrophysics Data System (ADS)

    Szűcs, László; Glover, Simon C. O.; Klessen, Ralf S.

    2016-07-01

    We present numerical simulations of molecular clouds (MCs) with self-consistent CO gas-phase and isotope chemistry in various environments. The simulations are post-processed with a line radiative transfer code to obtain 12CO and 13CO emission maps for the J = 1 → 0 rotational transition. The emission maps are analysed with commonly used observational methods, I.e. the 13CO column density measurement, the virial mass estimate and the so-called XCO (also CO-to-H2) conversion factor, and then the inferred quantities (I.e. mass and column density) are compared to the physical values. We generally find that most methods examined here recover the CO-emitting H2 gas mass of MCs within a factor of 2 uncertainty if the metallicity is not too low. The exception is the 13CO column density method. It is affected by chemical and optical depth issues, and it measures both the true H2 column density distribution and the molecular mass poorly. The virial mass estimate seems to work the best in the considered metallicity and radiation field strength range, even when the overall virial parameter of the cloud is above the equilibrium value. This is explained by a systematically lower virial parameter (I.e. closer to equilibrium) in the CO-emitting regions; in CO emission, clouds might seem (sub-)virial, even when, in fact, they are expanding or being dispersed. A single CO-to-H2 conversion factor appears to be a robust choice over relatively wide ranges of cloud conditions, unless the metallicity is low. The methods which try to take the metallicity dependence of the conversion factor into account tend to systematically overestimate the true cloud masses.

  4. Pressure, temperature and density drops along supercritical fluid chromatography columns. I. Experimental results for neat carbon dioxide and columns packed with 3- and 5-micron particles.

    PubMed

    Poe, Donald P; Veit, Devon; Ranger, Megan; Kaczmarski, Krzysztof; Tarafder, Abhijit; Guiochon, Georges

    2012-08-10

    The pressure drop and temperature drop on columns packed with 3- and 5-micron particles were measured using neat CO(2) at a flow rate of 5 mL/min, at temperatures from 20°C to 100°C, and outlet pressures from 80 to 300 bar. The density drop was calculated based on the temperature and pressure at the column inlet and outlet. The columns were suspended in a circulating air bath either bare or covered with foam insulation. The results show that the pressure drop depends on the outlet pressure, the operating temperature, and the thermal environment. A temperature drop was observed for all conditions studied. The temperature drop was relatively small (less than 3°C) for combinations of low temperature and high pressure. Larger temperature drops and density drops occurred at higher temperatures and low to moderate pressures. Covering the column with thermal insulation resulted in larger temperature drops and corresponding smaller density drops. At 20°C the temperature drop was never more than a few degrees. The largest temperature drops occurred for both columns when insulated at 80°C and 80 bar, reaching a maximum value of 21°C for the 5-micron column, and 26°C for the 3-micron column. For an adiabatic column, the temperature drop depends on the pressure drop, the thermal expansion coefficient, and the density and the heat capacity of the mobile phase fluid, and can be described by a simple mathematical relationship. For a fixed operating temperature and outlet pressure, the temperature drop increases monotonically with the pressure drop. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. THE COLUMN DENSITY DISTRIBUTION AND CONTINUUM OPACITY OF THE INTERGALACTIC AND CIRCUMGALACTIC MEDIUM AT REDSHIFT (z) = 2.4

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rudie, Gwen C.; Steidel, Charles C.; Shapley, Alice E.

    2013-06-01

    We present new high-precision measurements of the opacity of the intergalactic and circumgalactic medium (IGM; CGM) at (z) = 2.4. Using Voigt profile fits to the full Ly{alpha} and Ly{beta} forests in 15 high-resolution high-S/N spectra of hyperluminous QSOs, we make the first statistically robust measurement of the frequency of absorbers with H I column densities 14{approx}< log (N{sub H{sub I}}/cm{sup -2}){approx}<17.2. We also present the first measurements of the frequency distribution of H I absorbers in the volume surrounding high-z galaxies (the CGM, 300 pkpc), finding that the incidence of absorbers in the CGM is much higher than inmore » the IGM. In agreement with Rudie et al., we find that there are fractionally more high-N{sub H{sub I}} absorbers than low-N{sub H{sub I}} absorbers in the CGM compared to the IGM, leading to a shallower power law fit to the CGM frequency distribution. We use these new measurements to calculate the total opacity of the IGM and CGM to hydrogen-ionizing photons, finding significantly higher opacity than most previous studies, especially from absorbers with log (N{sub H{sub I}}/cm{sup -2}) < 17.2. Reproducing the opacity measured in our data as well as the incidence of absorbers with log (N{sub H{sub I}}/cm{sup -2})>17.2 requires a broken power law parameterization of the frequency distribution with a break near N{sub H{sub I}} Almost-Equal-To 10{sup 15} cm{sup -2}. We compute new estimates of the mean free path ({lambda}{sub mfp}) to hydrogen-ionizing photons at z{sub em} = 2.4, finding {lambda}{sub mfp} = 147 {+-} 15 Mpc when considering only IGM opacity. If instead, we consider photons emanating from a high-z star-forming galaxy and account for the local excess opacity due to the surrounding CGM of the galaxy itself, the mean free path is reduced to {lambda}{sub mfp} = 121 {+-} 15 Mpc. These {lambda}{sub mfp} measurements are smaller than recent estimates and should inform future studies of the metagalactic UV background

  6. Intra-pixel variability in satellite tropospheric NO2 column densities derived from simultaneous space-borne and airborne observations over the South African Highveld

    NASA Astrophysics Data System (ADS)

    Broccardo, Stephen; Heue, Klaus-Peter; Walter, David; Meyer, Christian; Kokhanovsky, Alexander; van der A, Ronald; Piketh, Stuart; Langerman, Kristy; Platt, Ulrich

    2018-05-01

    Aircraft measurements of NO2 using an imaging differential optical absorption spectrometer (iDOAS) instrument over the South African Highveld region in August 2007 are presented and compared to satellite measurements from OMI and SCIAMACHY. In situ aerosol and trace-gas vertical profile measurements, along with aerosol optical thickness and single-scattering albedo measurements from the Aerosol Robotic Network (AERONET), are used to devise scenarios for a radiative transfer modelling sensitivity study. Uncertainty in the air-mass factor due to variations in the aerosol and NO2 profile shape is constrained and used to calculate vertical column densities (VCDs), which are compared to co-located satellite measurements. The lower spatial resolution of the satellites cannot resolve the detailed plume structures revealed in the aircraft measurements. The airborne DOAS in general measured steeper horizontal gradients and higher peak NO2 vertical column density. Aircraft measurements close to major sources, spatially averaged to the satellite resolution, indicate NO2 column densities more than twice those measured by the satellite. The agreement between the high-resolution aircraft instrument and the satellite instrument improves with distance from the source, this is attributed to horizontal and vertical dispersion of NO2 in the boundary layer. Despite the low spatial resolution, satellite images reveal point sources and plumes that retain their structure for several hundred kilometres downwind.

  7. CS band intensity and column densities and production rates of 15 comets

    NASA Astrophysics Data System (ADS)

    Sanzovo, G. C.; Singh, P. D.; Huebner, W. F.

    1993-09-01

    An accurate fluorescence efficiency of the CS(0,0) band and the lifetime of CS have been calculated at 1 AU heliocentric distance. Model-independent CS column densities and production rates are determined from derived fluorescent emission rates (g-factors) and lifetimes for 15 comets: Austin (1982g), Borrelly (1980i), Bradfield (1979X), Crommelin (1983n), Encke (1980), Encke (1984), Giacobini-Zinner (1984e), Halley (1982i), IRAS-Araki-Alcock (1983d), Meier (1980q), Panther (1980u), Stephan-Oterma (1980g), Tuttle (1980h), West (1975n), and Wilson (1986l).

  8. CS band intensity and column densities and production rates of 15 comets

    NASA Technical Reports Server (NTRS)

    Sanzovo, G. C.; Singh, P. D.; Huebner, W. F.

    1993-01-01

    An accurate fluorescence efficiency of the CS(0,0) band and the lifetime of CS have been calculated at 1 AU heliocentric distance. Model-independent CS column densities and production rates are determined from derived fluorescent emission rates (g-factors) and lifetimes for 15 comets: Austin (1982g), Borrelly (1980i), Bradfield (1979X), Crommelin (1983n), Encke (1980), Encke (1984), Giacobini-Zinner (1984e), Halley (1982i), IRAS-Araki-Alcock (1983d), Meier (1980q), Panther (1980u), Stephan-Oterma (1980g), Tuttle (1980h), West (1975n), and Wilson (1986l).

  9. Velocities and rotational excitation of interstellar H2 toward Pi Scorpii

    NASA Technical Reports Server (NTRS)

    Jenkins, Edward B.; Lees, Joanna F.; Van Dishoeck, Ewine F.; Wilcots, Eric M.

    1989-01-01

    A spectrum of Pi Sco showing numerous atomic lines and 70 absorption features from the Lyman and Werner transitions of interstellar H2 in rotational level J from zero to five is presented. Their shapes of the composite column density profiles are very nearly Gaussian with a one-dimensional rms velocity dispersion of 3 km/s. The behavior of shifts in the inferred N(H2) as a function of velocity are consistent with the overall profiles being composed of nearly symmetrical, tightly paced assemblies of about seven unresolved components. The relative overall column densities in the higher J levels of H2 are consistent with a model where these states are populated by optical pumping through the Lyman and Werner transitions, powered by UV radiation from nearby stars. The slight narrowing of the high-J profiles may be due to small clumps of H2 at radial velocities some 5-8 km/s from the core of the profile are exposed to a pumping flux about 10 times lower than that for the material near the profile's center.

  10. A new estimation of HD/2H2 at high redshift using the spectrum of the quasar J 2123-0050

    NASA Astrophysics Data System (ADS)

    Klimenko, V. V.; Balashev, S. A.; Ivanchik, A. V.; Varshalovich, D. A.

    2015-12-01

    We present a new analysis of the quasar spectrum J 2123-0050 obtained using VLT/UVES. The H2/HD absorption system at z = 2.059 was analysed. This system consists of two subsystems with zA = 2.05933 and zB = 2.05955. The HD lines have been detected only in subsystem A with the column density of log N = 13.87 ± 0.06. We have determined the column density of H2 in this subsystem, log N = 17.93 ± 0.01, which is about three times larger than estimation derived early from analyses of quasar spectrum obtained using KECK/HIRES [1]. The derived ratio HD/2H2 = (4.28 ± 0.60) × 10-5 is the largest in quasar spectra, nevertheless it coincides with the primordial deuterium abundance within 2σ error. Additionally, we have found some evidence in the partial covering effect for the H2 system.

  11. The Temperature-Density Relation in the Intergalactic Medium at Redshift langzrang = 2.4

    NASA Astrophysics Data System (ADS)

    Rudie, Gwen C.; Steidel, Charles C.; Pettini, Max

    2012-10-01

    We present new measurements of the temperature-density (T-ρ) relation for neutral hydrogen in the 2.0 < z < 2.8 intergalactic medium (IGM) using a sample of ~6000 individual H I absorbers fitted with Voigt profiles constrained in all cases by multiple Lyman series transitions. We find model-independent evidence for a positive correlation between the column density of H I (N H I ) and the minimum observed velocity width of absorbers (b min). With minimal interpretation, this implies that the T-ρ relation in the IGM is not "inverted," contrary to many recent studies. Fitting b min as a function of N H I results in line-width-column-density dependence of the form b min = b 0(N H I /N H I,0)Γ-1 with a minimum line width at mean density (\\rho /\\bar{\\rho }= 1, N_H\\,\\mathsc{i, 0} = 10^{13.6} cm-2) of b 0 = 17.9 ± 0.2 km s-1 and a power-law index of (Γ - 1) = 0.15 ± 0.02. Using analytic arguments, these measurements imply an "equation of state" for the IGM at langzrang = 2.4 of the form T=T_0 \\left(\\rho /\\bar{\\rho }\\right)^{\\gamma -1} with a temperature at mean density of T 0 = [1.94 ± 0.05] × 104 K and a power-law index (γ - 1) = 0.46 ± 0.05. Based on data obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration, and was made possible by the generous financial support of the W. M. Keck Foundation.

  12. The relation between the column density structures and the magnetic field orientation in the Vela C molecular complex

    NASA Astrophysics Data System (ADS)

    Soler, J. D.; Ade, P. A. R.; Angilè, F. E.; Ashton, P.; Benton, S. J.; Devlin, M. J.; Dober, B.; Fissel, L. M.; Fukui, Y.; Galitzki, N.; Gandilo, N. N.; Hennebelle, P.; Klein, J.; Li, Z.-Y.; Korotkov, A. L.; Martin, P. G.; Matthews, T. G.; Moncelsi, L.; Netterfield, C. B.; Novak, G.; Pascale, E.; Poidevin, F.; Santos, F. P.; Savini, G.; Scott, D.; Shariff, J. A.; Thomas, N. E.; Tucker, C. E.; Tucker, G. S.; Ward-Thompson, D.

    2017-07-01

    We statistically evaluated the relative orientation between gas column density structures, inferred from Herschel submillimetre observations, and the magnetic field projected on the plane of sky, inferred from polarized thermal emission of Galactic dust observed by the Balloon-borne Large-Aperture Submillimetre Telescope for Polarimetry (BLASTPol) at 250, 350, and 500 μm, towards the Vela C molecular complex. First, we find very good agreement between the polarization orientations in the three wavelength-bands, suggesting that, at the considered common angular resolution of 3.´0 that corresponds to a physical scale of approximately 0.61 pc, the inferred magnetic field orientation is not significantly affected by temperature or dust grain alignment effects. Second, we find that the relative orientation between gas column density structures and the magnetic field changes progressively with increasing gas column density, from mostly parallel or having no preferred orientation at low column densities to mostly perpendicular at the highest column densities. This observation is in agreement with previous studies by the Planck collaboration towards more nearby molecular clouds. Finally, we find a correspondencebetween (a) the trends in relative orientation between the column density structures and the projected magnetic field; and (b) the shape of the column density probability distribution functions (PDFs). In the sub-regions of Vela C dominated by one clear filamentary structure, or "ridges", where the high-column density tails of the PDFs are flatter, we find a sharp transition from preferentially parallel or having no preferred relative orientation at low column densities to preferentially perpendicular at highest column densities. In the sub-regions of Vela C dominated by several filamentary structures with multiple orientations, or "nests", where the maximum values of the column density are smaller than in the ridge-like sub-regions and the high-column density

  13. Rhodium dihydride (RhH2) with high volumetric hydrogen density

    PubMed Central

    Li, Bing; Ding, Yang; Kim, Duck Young; Ahuja, Rajeev; Zou, Guangtian; Mao, Ho-Kwang

    2011-01-01

    Materials with very high hydrogen density have attracted considerable interest due to a range of motivations, including the search for chemically precompressed metallic hydrogen and hydrogen storage applications. Using high-pressure synchrotron X-ray diffraction technique and theoretical calculations, we have discovered a new rhodium dihydride (RhH2) with high volumetric hydrogen density (163.7 g/L). Compressing rhodium in fluid hydrogen at ambient temperature, the fcc rhodium metal absorbs hydrogen and expands unit-cell volume by two discrete steps to form NaCl-typed fcc rhodium monohydride at 4 GPa and fluorite-typed fcc RhH2 at 8 GPa. RhH2 is the first dihydride discovered in the platinum group metals under high pressure. Our low-temperature experiments show that RhH2 is recoverable after releasing pressure cryogenically to 1 bar and is capable of retaining hydrogen up to 150 K for minutes and 77 K for an indefinite length of time. PMID:22039219

  14. Interstellar C IV and Si IV column densities toward early-type stars

    NASA Technical Reports Server (NTRS)

    Bruhweiler, F. C.; Kondo, Y.; Mccluskey, G. E.

    1980-01-01

    Equivalent widths and deduced column densities of Si IV and C IV are examined for 18 early-type close binaries, and physical processes responsible for the origin of these ions in the interstellar medium are investigated. The available C IV/Si IV column density ratios typically lie within a narrow range from 0.8 to 4.5, and there is evidence that the column density of C IV is higher than that of N V along most lines of sight, suggesting that C IV is not formed in the same hot region as O VI. In addition, the existence of regions with a narrowly defined new temperature range around 50,000 deg K is indicated. The detection of the semitorrid gas of Bruhweiler, Kondo, and McCluskey (1978, 1979) is substantiated, and the relation of this gas to the observations of coronal gas in the galactic halo is discussed.

  15. Separating methane emissions from agricultural sources and natural gas: direct measurements of excess columns of CH4, C2H6 and NH3 in the Colorado Front Range

    NASA Astrophysics Data System (ADS)

    Kille, N.; Chiu, R.; Frey, M.; Hase, F.; Kumar Sha, M.; Blumenstock, T.; Hannigan, J. W.; Volkamer, R. M.

    2017-12-01

    Methane (CH4) is a major greenhouse gas emitted from biogenic, thermogenic, and pyrogenic sources. Here we demonstrate a novel approach to separate sources of CH4 emissions based on a network of small portable sensors performing column measurements in the Northern Colorado Front Range (NCFR). In the study area CH4 is emitted from biogenic sources such as concentrated animal feeding operations (CAFOs) and natural gas production and storage. In March 2015 we deployed a network of five Fourier Transform Spectrometers (FTS) to characterize the regional scale methane dome in Colorado's Denver-Julesburg Basin based on excess vertical column measurements (the column enhancement inside the dome over background). Three EM27sun FTS measured CH4, oxygen (O2) and water vapor (H2O) columns at Eaton, CO (inside the dome) and at two boundary sites; the CU mobile SOF (Solar Occultation Flux) measured ethane (C2H6), ammonia (NH3), and H2O at Eaton, CO. The column averaged dry air mole fractions XCH4, XC2H6, and XNH3 were determined using O2 columns for air mass factor normalization, and background column was subtracted to derive excess vertical columns of DXCH4, DXC2H6, DXNH3 at Eaton, CO. Eaton is located both near CAFOs and at the northern edge of oil and natural gas production wells. Our approach for source apportioning methane employs a linear regression analysis that explains DXCH4 in terms of DXC2H6 as tracer for natural gas sources, and DXNH3 as tracer for CAFO emissions. The results of the source apportionment are compared with literature values of the NH3/CH4 and C2H6/CH4 ratio to evaluate the method of excess columns, which is independent of boundary layer height.

  16. The Column Density Distribution and Continuum Opacity of the Intergalactic and Circumgalactic Medium at Redshift langzrang = 2.4

    NASA Astrophysics Data System (ADS)

    Rudie, Gwen C.; Steidel, Charles C.; Shapley, Alice E.; Pettini, Max

    2013-06-01

    We present new high-precision measurements of the opacity of the intergalactic and circumgalactic medium (IGM; CGM) at langzrang = 2.4. Using Voigt profile fits to the full Lyα and Lyβ forests in 15 high-resolution high-S/N spectra of hyperluminous QSOs, we make the first statistically robust measurement of the frequency of absorbers with H I column densities 14 \\lesssim log (N_H\\,\\scriptsize{ I}/ {cm}^{-2}) \\lesssim 17.2. We also present the first measurements of the frequency distribution of H I absorbers in the volume surrounding high-z galaxies (the CGM, 300 pkpc), finding that the incidence of absorbers in the CGM is much higher than in the IGM. In agreement with Rudie et al., we find that there are fractionally more high-N H I absorbers than low-N H I absorbers in the CGM compared to the IGM, leading to a shallower power law fit to the CGM frequency distribution. We use these new measurements to calculate the total opacity of the IGM and CGM to hydrogen-ionizing photons, finding significantly higher opacity than most previous studies, especially from absorbers with log (N_H\\,\\scriptsize{ I}/ {cm}^{-2}) < 17.2. Reproducing the opacity measured in our data as well as the incidence of absorbers with log (N_H\\,\\scriptsize{ I}/ {cm}^{-2}) \\gt 17.2 requires a broken power law parameterization of the frequency distribution with a break near N H I ≈1015 cm-2. We compute new estimates of the mean free path (λmfp) to hydrogen-ionizing photons at z em = 2.4, finding λmfp = 147 ± 15 Mpc when considering only IGM opacity. If instead, we consider photons emanating from a high-z star-forming galaxy and account for the local excess opacity due to the surrounding CGM of the galaxy itself, the mean free path is reduced to λmfp = 121 ± 15 Mpc. These λmfp measurements are smaller than recent estimates and should inform future studies of the metagalactic UV background and of ionizing sources at z ≈ 2-3. Based on data obtained at the W. M. Keck Observatory

  17. Spectro-imaging observations of Jupiter's 2-μm auroral emission. I. H 3+ distribution and temperature

    NASA Astrophysics Data System (ADS)

    Raynaud, E.; Lellouch, E.; Maillard, J.-P.; Gladstone, G. R.; Waite, J. H.; Bézard, B.; Drossart, P.; Fouchet, T.

    2004-09-01

    We report on spectro-imaging infrared observations of Jupiter's auroral zones, acquired in October 1999 and October 2000 with the FTS/BEAR instrument at the Canada-France-Hawaii Telescope. The use of narrow-band filters at 2.09 and 2.12 μm, combined with high spectral resolution (0.2 cm -1), allowed us to map emission from the H 2S1(1) quadrupole line and from several H 3+ lines. The H 2 and H 3+ emission appears to be morphologically different, especially in the north, where the latter notably exhibits a "hot spot" near 150°-170° System III longitude. This hot spot coincides in position with the region of increased and variable hydrocarbon, FUV and X-ray emission, but is not seen in the more uniform H 2S1(1) emission. We also present the first images of the H 2 emission in the southern polar region. The spectra include a total of 14 H 3+ lines, including two hot lines from the 3 ν2- ν2 band, detected on Jupiter for the first time. They can be used to determine H 3+ column densities, rotational ( Trot) and vibrational ( Tvib) temperatures. We find the mean Tvib of the v2=3 state to be lower (960±50 K) than the mean Trot in v2=2 (1170±75 K), indicating an underpopulation of the v2=3 level with respect to local thermodynamical equilibrium. Rotational temperatures and associated column densities are generally higher and lower, respectively, than inferred previously from ν2 observations. This is a likely consequence of a large positive temperature gradient in the sub-microbar auroral atmosphere. While the signal-to-noise is not sufficient to take full advantage of the 2-D capabilities of the observations, the search for correlations between line intensities, Tvib and column densities, indicates that variations in line intensities are mostly due to correlated variations in the H 3+ column densities. The thermostatic role played by H 3+ at ionospheric levels may provide an explanation. The exception is the northern "hot spot," which exhibits a Tvib about 250 K

  18. In situ Dynamics of O2, pH, Light, and Photosynthesis in Ikaite Tufa Columns (Ikka Fjord, Greenland)-A Unique Microbial Habitat.

    PubMed

    Trampe, Erik C L; Larsen, Jens E N; Glaring, Mikkel A; Stougaard, Peter; Kühl, Michael

    2016-01-01

    The Ikka Fjord (SW Greenland) harbors a unique microbial habitat in the form of several hundred submarine tufa columns composed of ikaite, a special hexahydrate form of calcium carbonate that precipitates when alkaline phosphate- and carbonate-enriched spring water seeping out of the sea floor meets cold seawater. While several unique heterotrophic microbes have been isolated from the tufa columns, the microbial activity, and the boundary conditions for microbial growth in ikaite have remained unexplored. We present the first detailed in situ characterization of the physico-chemical microenvironment and activity of oxygenic phototrophs thriving within the ikaite columns. In situ underwater microsensor measurements of pH, temperature, and irradiance in the porous ikaite crystal matrix, revealed an extreme microenvironment characterized by low temperatures, strong light attenuation, and gradients of pH changing from pH 9 at the outer column surface to above pH 10 over the first 1-2 cm of the ikaite. This outer layer of the freshly deposited ikaite matrix contained densely pigmented yellow and green zones harboring a diverse phototrophic community dominated by diatoms and cyanobacteria, respectively, as shown by amplicon sequencing. In situ O2 measurements, as well as underwater variable chlorophyll fluorescence measurements of photosynthetic activity, demonstrated high levels of oxygenic photosynthesis in this extreme gradient environment with strong irradiance-driven O2 dynamics ranging from anoxia to hyperoxic conditions in the ikaite matrix, albeit the local formation of gas bubbles buffered the day-night dynamics of O2 in the tufa columns. The microbial phototrophs in the ikaite matrix are embedded in exopolymers forming endolithic biofilms that may interact with mineral formation and cementing of ikaite crystals.

  19. Impact of NO2 horizontal heterogeneity on tropospheric NO2 vertical columns retrieved from satellite, multi-axis differential optical absorption spectroscopy, and in situ measurements

    NASA Astrophysics Data System (ADS)

    Mendolia, D.; D'Souza, R. J. C.; Evans, G. J.; Brook, J.

    2013-01-01

    Tropospheric NO2 vertical column densities were retrieved for the first time in Toronto, Canada using three methods of differing spatial scales. Remotely-sensed NO2 vertical column densities, retrieved from multi-axis differential optical absorption spectroscopy and satellite remote sensing, were evaluated by comparison with in situ vertical column densities derived using a pair of chemiluminescence monitors situated 0.01 and 0.5 km above ground level. The chemiluminescence measurements were corrected for the influence of NOz, which reduced the NO2 concentrations at 0.01 and 0.5 km by 8 ± 1% and 12 ± 1%, respectively. The average absolute decrease in the chemiluminescence NO2 measurement as a result of this correction was less than 1 ppb. Good correlation was observed between the remotely sensed and in situ NO2 vertical column densities (Pearson R ranging from 0.68 to 0.79), but the in situ vertical column densities were 27% to 55% greater than the remotely-sensed columns. These results indicate that NO2 horizontal heterogeneity strongly impacted the magnitude of the remotely-sensed columns. The in situ columns reflected an urban environment with major traffic sources, while the remotely-sensed NO2 vertical column densities were representative of the region, which included spatial heterogeneity introduced by residential neighbourhoods and Lake Ontario. Despite the difference in absolute values, the reasonable correlation between the vertical column densities determined by three distinct methods increased confidence in the validity of the values provided by each of the methods.

  20. Effect of water-column pH on sediment-phosphorus release rates in Upper Klamath Lake, Oregon, 2001

    USGS Publications Warehouse

    Fisher, Lawrence H.; Wood, Tamara M.

    2004-01-01

    Sediment-phosphorus release rates as a function of pH were determined in laboratory experiments for sediment and water samples collected from Shoalwater Bay in Upper Klamath Lake, Oregon, in 2001. Aerial release rates for a stable sediment/water interface that is representative of the sediment surface area to water column volume ratio (1:3) observed in the lake and volumetric release rates for resuspended sediment events were determined at three different pH values (8.1, 9.2, 10.2). Ambient water column pH (8.1) was maintained by sparging study columns with atmospheric air. Elevation of the water column pH to 9.2 was achieved through the removal of dissolved carbon dioxide by sparging with carbon dioxide-reduced air, partially simulating water chemistry changes that occur during algal photosynthesis. Further elevation of the pH to 10.2 was achieved by the addition of sodium hydroxide, which doubled average alkalinities in the study columns from about 1 to 2 milliequivalents per liter. Upper Klamath Lake sediments collected from the lake bottom and then placed in contact with lake water, either at a stable sediment/water interface or by resuspension, exhibited an initial capacity to take up soluble reactive phosphorus (SRP) from the water column rather than release phosphorus to the water column. At a higher pH this initial uptake of phosphorus is slowed, but not stopped. This initial phase was followed by a reversal in which the sediments began to release SRP back into the water column. The release rate of phosphorus 30 to 40 days after suspension of sediments in the columns was 0.5 mg/L/day (micrograms per liter per day) at pH 8, and 0.9 mg/L/day at pH 10, indicating that the higher pH increased the rate of phosphorus release by a factor of about two. The highest determined rate of release was approximately 10% (percent) of the rate required to explain the annual internal loading to Upper Klamath Lake from the sediments as calculated from a lake-wide mass balance

  1. CO AND H{sub 2} ABSORPTION IN THE AA TAURI CIRCUMSTELLAR DISK

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    France, Kevin; Burgh, Eric B.; Schindhelm, Eric

    2012-01-01

    The direct study of molecular gas in inner protoplanetary disks is complicated by uncertainties in the spatial distribution of the gas, the time variability of the source, and the comparison of observations across a wide range of wavelengths. Some of these challenges can be mitigated with far-ultraviolet spectroscopy. Using new observations obtained with the Hubble Space Telescope Cosmic Origins Spectrograph, we measure column densities and rovibrational temperatures for CO and H{sub 2} observed on the line of sight through the AA Tauri circumstellar disk. CO A - X absorption bands are observed against the far-UV continuum. The CO absorption ismore » characterized by log{sub 10}(N({sup 12}CO)) = 17.5 {+-} 0.5 cm{sup -2} and T{sub rot}(CO) = 500{sup +500}{sub -200} K, although this rotational temperature may underestimate the local kinetic temperature of the CO-bearing gas. We also detect {sup 13}CO in absorption with an isotopic ratio of {approx}20. We do not observe H{sub 2} absorption against the continuum; however, hot H{sub 2} (v > 0) is detected in absorption against the Ly{alpha} emission line. We measure the column densities in eight individual rovibrational states, determining a total log{sub 10}(N(H{sub 2})) = 17.9{sup +0.6}{sub -0.3} cm{sup -2} with a thermal temperature of T(H{sub 2}) = 2500{sup +800}{sub -700} K. The high temperature of the molecules, the relatively small H{sub 2} column density, and the high inclination of the AA Tauri disk suggest that the absorbing gas resides in an inner disk atmosphere. If the H{sub 2} and CO are cospatial within a molecular layer {approx}0.6 AU thick, this region is characterized by {approx} 10{sup 5} cm{sup -3} with an observed (CO/H{sub 2}) ratio of {approx}0.4. We also find evidence for a departure from a purely thermal H{sub 2} distribution, suggesting that excitation by continuum photons and H{sub 2} formation may be altering the level populations in the molecular gas.« less

  2. CO-dark molecular gas at high redshift: very large H2 content and high pressure in a low-metallicity damped Lyman alpha system

    NASA Astrophysics Data System (ADS)

    Balashev, S. A.; Noterdaeme, P.; Rahmani, H.; Klimenko, V. V.; Ledoux, C.; Petitjean, P.; Srianand, R.; Ivanchik, A. V.; Varshalovich, D. A.

    2017-09-01

    We present a detailed analysis of an H2-rich, extremely strong intervening damped Ly α absorption system (DLA) at zabs = 2.786 towards the quasar J 0843+0221, observed with the Ultraviolet and Visual Echelle Spectrograph on the Very Large Telescope. The total column density of molecular (resp. atomic) hydrogen is log N(H2) = 21.21 ± 0.02 (resp. log N(H I) = 21.82 ± 0.11), making it to be the first case in quasar absorption line studies with H2 column density as high as what is seen in 13CO-selected clouds in the Milky Way. We find that this system has one of the lowest metallicity detected among H2-bearing DLAs, with [Zn/H] = -1.52^{+0.08}_{-0.10}. This can be the reason for the marked differences compared to systems with similar H2 column densities in the local Universe: (I) the kinetic temperature, T ˜ 120 K, derived from the J = 0, 1 H2 rotational levels is at least twice higher than expected; (II) there is little dust extinction with AV < 0.1; (III) no CO molecules are detected, putting a constraint on the XCO factor XCO > 2 × 1023 cm-2/(km s-1 K), in the very low metallicity gas. Low CO and high H2 contents indicate that this system represents 'CO-dark/faint' gas. We investigate the physical conditions in the H2-bearing gas using the fine-structure levels of C I, C II, Si II and the rotational levels of HD and H2. We find the number density to be about n ˜ 260-380 cm-3, implying a high thermal pressure of 3-5 × 104 cm-3 K. We further identify a trend of increasing pressure with increasing total hydrogen column density. This independently supports the suggestion that extremely strong DLAs (with log N(H) ˜22) probe high-z galaxies at low impact parameters.

  3. In situ Dynamics of O2, pH, Light, and Photosynthesis in Ikaite Tufa Columns (Ikka Fjord, Greenland)—A Unique Microbial Habitat

    PubMed Central

    Trampe, Erik C. L.; Larsen, Jens E. N.; Glaring, Mikkel A.; Stougaard, Peter; Kühl, Michael

    2016-01-01

    The Ikka Fjord (SW Greenland) harbors a unique microbial habitat in the form of several hundred submarine tufa columns composed of ikaite, a special hexahydrate form of calcium carbonate that precipitates when alkaline phosphate- and carbonate-enriched spring water seeping out of the sea floor meets cold seawater. While several unique heterotrophic microbes have been isolated from the tufa columns, the microbial activity, and the boundary conditions for microbial growth in ikaite have remained unexplored. We present the first detailed in situ characterization of the physico-chemical microenvironment and activity of oxygenic phototrophs thriving within the ikaite columns. In situ underwater microsensor measurements of pH, temperature, and irradiance in the porous ikaite crystal matrix, revealed an extreme microenvironment characterized by low temperatures, strong light attenuation, and gradients of pH changing from pH 9 at the outer column surface to above pH 10 over the first 1–2 cm of the ikaite. This outer layer of the freshly deposited ikaite matrix contained densely pigmented yellow and green zones harboring a diverse phototrophic community dominated by diatoms and cyanobacteria, respectively, as shown by amplicon sequencing. In situ O2 measurements, as well as underwater variable chlorophyll fluorescence measurements of photosynthetic activity, demonstrated high levels of oxygenic photosynthesis in this extreme gradient environment with strong irradiance-driven O2 dynamics ranging from anoxia to hyperoxic conditions in the ikaite matrix, albeit the local formation of gas bubbles buffered the day-night dynamics of O2 in the tufa columns. The microbial phototrophs in the ikaite matrix are embedded in exopolymers forming endolithic biofilms that may interact with mineral formation and cementing of ikaite crystals. PMID:27242741

  4. Ultraviolet stellar occultation measurement of the H2 and O2 densities near 100 km in the earth's atmosphere

    NASA Technical Reports Server (NTRS)

    Atreya, S. K.; Wasser, B.; Donahue, T. M.; Sharp, W. E.; Drake, J. F.; Riegler, G. R.

    1976-01-01

    Results are presented for an experimental study designed to measure the density of H2 near 100 km in the earth's atmosphere from occultation of a star, Gamma Vel, by the earth's atmosphere at several wavelengths near the H2 absorption line at 1108.128 A by a spectrometer on an orbiting astronomical observatory. Measurement of the O2 density between 95 and 123 km is also reported. Attention is focused on testing the predictions of a model of the distribution of hydrogen constituents, H, H2, H2O, CH4, OH, and H2O in the upper atmosphere related to a theory of hydrogen escape developed by Hunten and Strobel (1974) and by Liu and Donahue (1974). The measured H2 densities are found to be in good agreement with recent theoretical predictions, whereas the measured O2 density profile generally agrees with the models except for a wavelike structure in the range 104-114 km.

  5. A Herschel [C ii] Galactic plane survey. II. CO-dark H2 in clouds

    NASA Astrophysics Data System (ADS)

    Langer, W. D.; Velusamy, T.; Pineda, J. L.; Willacy, K.; Goldsmith, P. F.

    2014-01-01

    Context. H i and CO large scale surveys of the Milky Way trace the diffuse atomic clouds and the dense shielded regions of molecular hydrogen clouds, respectively. However, until recently, we have not had spectrally resolved C+ surveys in sufficient lines of sight to characterize the ionized and photon dominated components of the interstellar medium, in particular, the H2 gas without CO, referred to as CO-dark H2, in a large sample of interstellar clouds. Aims: We use a sparse Galactic plane survey of the 1.9 THz (158 μm) [C ii] spectral line from the Herschel open time key programme, Galactic Observations of Terahertz C+ (GOT C+), to characterize the H2 gas without CO in a statistically significant sample of interstellar clouds. Methods: We identify individual clouds in the inner Galaxy by fitting the [C ii] and CO isotopologue spectra along each line of sight. We then combine these spectra with those of H i and use them along with excitation models and cloud models of C+ to determine the column densities and fractional mass of CO-dark H2 clouds. Results: We identify1804 narrow velocity [C ii] components corresponding to interstellar clouds in different categories and evolutionary states. About 840 are diffuse molecular clouds with no CO, ~510 are transition clouds containing [C ii] and 12CO, but no 13CO, and the remainder are dense molecular clouds containing 13CO emission. The CO-dark H2 clouds are concentrated between Galactic radii of ~3.5 to 7.5 kpc and the column density of the CO-dark H2 layer varies significantly from cloud to cloud with a global average of 9 × 1020 cm-2. These clouds contain a significant fraction by mass of CO-dark H2, that varies from ~75% for diffuse molecular clouds to ~20% for dense molecular clouds. Conclusions: We find a significant fraction of the warm molecular ISM gas is invisible in H i and CO, but is detected in [C ii]. The fraction of CO-dark H2 is greatest in the diffuse clouds and decreases with increasing total column

  6. Multi-wavelength campaign on NGC 7469. II. Column densities and variability in the X-ray spectrum

    NASA Astrophysics Data System (ADS)

    Peretz, U.; Behar, E.; Kriss, G. A.; Kaastra, J.; Arav, N.; Bianchi, S.; Branduardi-Raymont, G.; Cappi, M.; Costantini, E.; De Marco, B.; Di Gesu, L.; Ebrero, J.; Kaspi, S.; Mehdipour, M.; Middei, R.; Paltani, S.; Petrucci, P. O.; Ponti, G.; Ursini, F.

    2018-01-01

    We have investigated the ionic column density variability of the ionized outflows associated with NGC 7469, to estimate their location and power. This could allow a better understanding of galactic feedback of AGNs to their host galaxies. Analysis of seven XMM-Newton grating observations from 2015 is reported. We used an individual-ion spectral fitting approach, and compared different epochs to accurately determine variability on timescales of years, months, and days. We find no significant column density variability in a ten-year period implying that the outflow is far from the ionizing source. The implied lower bound on the ionization equilibrium time, ten years, constrains the lower limit on the distance to be at least 12 pc, and up to 31 pc, much less but consistent with the 1 kpc wide starburst ring. The ionization distribution of column density is reconstructed from measured column densities, nicely matching results of two 2004 observations, with one large high ionization parameter (ξ) component at 2 < log ξ< 3.5, and one at 0.5 < log ξ< 1 in cgs units. The strong dependence of the expression for kinetic power, ∝ 1 /ξ, hampers tight constraints on the feedback mechanism of outflows with a large range in ionization parameter, which is often observed and indicates a non-conical outflow. The kinetic power of the outflow is estimated here to be within 0.4 and 60% of the Eddington luminosity, depending on the ion used to estimate ξ.

  7. Accounting for surface reflectance in the derivation of vertical column densities of NO2 from airborne imaging DOAS

    NASA Astrophysics Data System (ADS)

    Meier, Andreas Carlos; Schönhardt, Anja; Richter, Andreas; Bösch, Tim; Seyler, André; Constantin, Daniel Eduard; Shaiganfar, Reza; Merlaud, Alexis; Ruhtz, Thomas; Wagner, Thomas; van Roozendael, Michel; Burrows, John. P.

    2016-04-01

    Nitrogen oxides, NOx (NOx = NO + NO2) play a key role in tropospheric chemistry. In addition to their directly harmful effects on the respiratory system of living organisms, they influence the levels of tropospheric ozone and contribute to acid rain and eutrophication of ecosystems. As they are produced in combustion processes, they can serve as an indicator for anthropogenic air pollution. In the late summers of 2014 and 2015, two extensive measurement campaigns were conducted in Romania by several European research institutes, with financial support from ESA. The AROMAT / AROMAT-2 campaigns (Airborne ROmanian Measurements of Aerosols and Trace gases) were dedicated to measurements of air quality parameters utilizing newly developed instrumentation at state-of-the-art. The experiences gained will help to calibrate and validate the measurements taken by the upcoming Sentinel-S5p mission scheduled for launch in 2016. The IUP Bremen contributed to these campaigns with its airborne imaging DOAS (Differential Optical Absorption Spectroscopy) instrument AirMAP (Airborne imaging DOAS instrument for Measurements of Atmospheric Pollution). AirMAP allows retrieving spatial distributions of trace gas columns densities in a stripe below the aircraft. The measurements have a high spatial resolution of approximately 30 x 80 m2 (along x across track) at a typical flight altitude of 3000 m. Supported by the instrumental setup and the large swath, gapless maps of trace gas distributions above a large city, like Bucharest or Berlin, can be acquired within a time window of approximately two hours. These properties make AirMAP a valuable tool for the validation of trace gas measurements from space. DOAS retrievals yield the density of absorbers integrated along the light path of the measurement. The light path is altered with a changing surface reflectance, leading to enhanced / reduced slant column densities of NO2 depending on surface properties. This effect must be considered in

  8. The Column Strength of Two Extruded Aluminum-Alloy H-Sections

    NASA Technical Reports Server (NTRS)

    Osgood, William R; Holt, Marshall

    1939-01-01

    Extruded aluminum-alloy members of various cross sections are used in aircraft as compression members either singly or as stiffeners for aluminum-alloy sheet. In order to design such members, it is necessary to know their column strength or, in the case of stiffeners, the value of the double modulus, which is best obtained for practical purposes from column tests. Column tests made on two extruded h-sections are described, and column formulas and formulas for the ratio of the double modulus to Young's modulus, based on the tests, are given.

  9. Infrared Spectroscopic Measurements of the Ethane (C2H6) Total Column Abundance Above Mauna Loa, Hawaii: Seasonal Variations

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Goldman, A.; Murcray, F. J.; David, S. J.; Blatherwick, R. D.; Murcray, D. G.

    1994-01-01

    About 200 i.r. solar spectra recorded at 0.01/ cm resolution on 71 days between November 1991 and July 1993 at the Network for the Detection of Stratospheric Change (NDSC) station at Mauna Loa, Hawaii (latitude 19.53 deg N, longitude 155.58 deg W, elevation 3.459 km) have been analyzed with a nonlinear least-squares spectral fitting technique to study temporal variations in the total column of atmospheric ethane (C2H6) above the site. The results were derived from the analysis of the unresolved nu(sub 7) band (sup P)Q(sub 3) subbranch at 2976.8/cm. A distinct seasonal cycle is observed with a factor of 2 variation, a maximum total column of 1.1 6 x 10(exp 16) mol /sq cm at the end of winter, and a minimum total column of 0.53 x 10(exp 16) mol/sq cm at the end of summer. Our measurements are compared with previous observations and model predictions.

  10. Infrared spectroscopic measurements of the ethane (C2H6) total column abundance above Mauna Loa, Hawaii -- seasonal variations

    NASA Technical Reports Server (NTRS)

    Rinsland, C. P.; Goldman, A.; Murcray, F. J.; David, S. J.; Blatherwick, R. D.; Murcray, D. G.

    1994-01-01

    About 200 i.r. solar spectra recorded at 0.01/cm resolution on 71 days between November 1991 and July 1993 at the Network for the Detection of Stratospheric Change (NDSC) station at Mauna Loa, Hawaii (latitude 19.53 deg N, longitude 155.58 deg W, elevation 3.459 km) have been analyzed with a nonlinear least-squares spectral fitting technique to study temporal variations in the total column of atmospheric ethane (C2H6) above the site. The results were derived from the analysis of the unresolved nu(sub 7) band (P)Q(sub 3) subbranch at 2976.8/cm. A distinct seasonal cycle is observed with a factor of 2 variation, a maximum total column of 1.16 x 10(exp 16) mol/sq cm at the end of winter, and a minimum total column of 0.53 x 10(exp 16) mol/sq cm at the end of summer. Our measurements are compared with previous observations and model predictions.

  11. Estimating surface NO2 and SO2 mixing ratios from fast-response total column observations and potential application to geostationary missions.

    PubMed

    Knepp, T; Pippin, M; Crawford, J; Chen, G; Szykman, J; Long, R; Cowen, L; Cede, A; Abuhassan, N; Herman, J; Delgado, R; Compton, J; Berkoff, T; Fishman, J; Martins, D; Stauffer, R; Thompson, A M; Weinheimer, A; Knapp, D; Montzka, D; Lenschow, D; Neil, D

    Total-column nitrogen dioxide (NO 2 ) data collected by a ground-based sun-tracking spectrometer system (Pandora) and an photolytic-converter-based in-situ instrument collocated at NASA's Langley Research Center in Hampton, Virginia were analyzed to study the relationship between total-column and surface NO 2 measurements. The measurements span more than a year and cover all seasons. Surface mixing ratios are estimated via application of a planetary boundary-layer (PBL) height correction factor. This PBL correction factor effectively corrects for boundary-layer variability throughout the day, and accounts for up to ≈75 % of the variability between the NO 2 data sets. Previous studies have made monthly and seasonal comparisons of column/surface data, which has shown generally good agreement over these long average times. In the current analysis comparisons of column densities averaged over 90 s and 1 h are made. Applicability of this technique to sulfur dioxide (SO 2 ) is briefly explored. The SO 2 correlation is improved by excluding conditions where surface levels are considered background. The analysis is extended to data from the July 2011 DISCOVER-AQ mission over the greater Baltimore, MD area to examine the method's performance in more-polluted urban conditions where NO 2 concentrations are typically much higher.

  12. Higgs-mode radiance and charge-density-wave order in 2 H -NbSe2

    NASA Astrophysics Data System (ADS)

    Grasset, Romain; Cea, Tommaso; Gallais, Yann; Cazayous, Maximilien; Sacuto, Alain; Cario, Laurent; Benfatto, Lara; Méasson, Marie-Aude

    2018-03-01

    Despite being usually considered two competing phenomena, charge-density wave and superconductivity coexist in few systems, the most emblematic one being the transition-metal dichalcogenide 2 H -NbSe2 . This unusual condition is responsible for specific Raman signatures across the two phase transitions in this compound. While the appearance of a soft phonon mode is a well-established fingerprint of the charge-density-wave order, the nature of the sharp subgap mode emerging below the superconducting temperature is still under debate. In this work we use external pressure as a knob to unveil the delicate interplay between the two orders, and consequently the nature of the superconducting mode. Thanks to an advanced extreme-conditions Raman technique, we are able to follow the pressure evolution and the simultaneous collapse of the two intertwined charge-density-wave and superconducting modes. The comparison with microscopic calculations in a model system supports the Higgs-type nature of the superconducting mode and suggests that charge-density wave and superconductivity in 2 H -NbSe2 involve mutual electronic degrees of freedom. These findings fill the knowledge gap on the electronic mechanisms at play in transition-metal dichalcogenides, a crucial step to fully exploit their properties in few-layer systems optimized for device applications.

  13. Characterisation of RPLC columns packed with porous sub-2 microm particles.

    PubMed

    Petersson, Patrik; Euerby, Melvin R

    2007-08-01

    Eight commercially available sub-2 microm octadecyl silane columns (C18 columns) have been characterised by the Tanaka protocol. The columns can be grouped into two groups that display large differences in selectivity and peak shape due to differences in hydrophobicity, degree of surface coverage and silanol activity. Measurements of particle size distributions were made using automated microscopy and electrical sensing zone measurements. Only a weak correlation could be found between efficiency and particle size. Large differences in column backpressure were observed. These differences are not related to particle size distribution. A more likely explanation is differences in packing density. In order to take full advantage of 100-150 mm columns packed with sub-2 microm particles, it is often necessary to employ not only an elevated pressure but also an elevated temperature. A comparison between columns packed with sub-2, 3 and 5 microm versions of the same packing indicates potential method transferability problems for several of the columns due to selectivity differences. Currently, the best alternative for fast high-resolution LC is the use of sub-2 microm particles in combination with elevated pressure and temperature. However, as shown in this study additional efforts are needed to improve transferability as well as column performance.

  14. Modelling the role of electron attachment rates on column density ratios for C n H-/C n H (n=4,6,8) in dense molecular clouds

    NASA Astrophysics Data System (ADS)

    Gianturco, F. A.; Grassi, T.; Wester, R.

    2016-10-01

    The fairly recent detection of a variety of anions in the interstellar molecular clouds have underlined the importance of realistically modelling the processes governing their abundance. To pursue this task, our earlier calculations for the radiative electron attachment (REA) rates for C4H-, C6H-, and C8H- are employed in the present work, within a broad network of other concurrent reactions, to generate the corresponding column density ratios of anion/neutral (A/N) relative abundances. The latter are then compared with those obtained in recent years from observational measurements. The calculations involved the time-dependent solutions of a large network of chemical processes over an extended time interval and included a series of runs in which the values of REA rates were repeatedly scaled over several orders of magnitude. Macroscopic parameters for the Clouds’ modelling were also varied to cover a broad range of physical environments. It was found that, within the range and quality of the processes included in the present network,and selected from state-of-the-art astrophysical databases, the REA values required to match the observed A/N ratios needed to be reduced by orders of magnitude for C4H- case, while the same rates for C6H- and C8H- only needed to be scaled by much smaller factors. The results suggest that the generally proposed formation of interstellar anions by REA mechanism is overestimated by current models for the C4H- case, for which is likely to be an inefficient path to formation. This path is thus providing a rather marginal contribution to the observed abundances of C4H-, the latter being more likely to originate from other chemical processes in the network, as we discuss in some detail in the present work. Possible physical reasons for the much smaller differences against observations found instead for the values of the (A/N) ratios in two other, longer members of the series are put forward and analysed within the evolutionary modelling

  15. The column density distribution of hard X-ray radio galaxies

    NASA Astrophysics Data System (ADS)

    Panessa, F.; Bassani, L.; Landi, R.; Bazzano, A.; Dallacasa, D.; La Franca, F.; Malizia, A.; Venturi, T.; Ubertini, P.

    2016-09-01

    In order to investigate the role of absorption in active galactic nuclei (AGN) with jets, we have studied the column density distribution of a hard X-ray selected sample of radio galaxies, derived from the INTEGRAL/Imager on Board the Integral Satellite (IBIS) and Swift/The Burst Alert Telescope (BAT) AGN catalogues (˜7-10 per cent of the total AGN population). The 64 radio galaxies have a typical FR II radio morphology and are characterized by high 20-100 keV luminosities (from 1042 to 1046 erg s-1) and high Eddington ratios (log LBol/LEdd typically larger than ˜0.01). The observed fraction of absorbed AGN (NH > 1022 cm-2) is around 40 per cent among the total sample, and ˜75 per cent among type 2 AGN. The majority of obscured AGN are narrow-line objects, while unobscured AGN are broad-line objects, obeying to the zeroth-order predictions of unified models. A significant anti-correlation between the radio core dominance parameter and the X-ray column density is found. The observed fraction of Compton thick AGN is ˜2-3 per cent, in comparison with the 5-7 per cent found in radio-quiet hard X-ray selected AGN. We have estimated the absorption and Compton thick fractions in a hard X-ray sample containing both radio galaxies and non-radio galaxies and therefore affected by the same selection biases. No statistical significant difference was found in the absorption properties of radio galaxies and non-radio galaxies sample. In particular, the Compton thick objects are likely missing in both samples and the fraction of obscured radio galaxies appears to decrease with luminosity as observed in hard X-ray non-radio galaxies.

  16. How an improved implementation of H2 self-shielding influences the formation of massive stars and black holes

    NASA Astrophysics Data System (ADS)

    Hartwig, Tilman; Glover, Simon C. O.; Klessen, Ralf S.; Latif, Muhammad A.; Volonteri, Marta

    2015-09-01

    High-redshift quasars at z > 6 have masses up to ˜109 M⊙. One of the pathways to their formation includes direct collapse of gas, forming a supermassive star, precursor of the black hole seed. The conditions for direct collapse are more easily achievable in metal-free haloes, where atomic hydrogen cooling operates and molecular hydrogen (H2) formation is inhibited by a strong external (ultraviolet) UV flux. Above a certain value of UV flux (Jcrit), the gas in a halo collapses isothermally at ˜104 K and provides the conditions for supermassive star formation. However, H2 can self-shield, reducing the effect of photodissociation. So far, most numerical studies used the local Jeans length to calculate the column densities for self-shielding. We implement an improved method for the determination of column densities in 3D simulations and analyse its effect on the value of Jcrit. This new method captures the gas geometry and velocity field and enables us to properly determine the direction-dependent self-shielding factor of H2 against photodissociating radiation. We find a value of Jcrit that is a factor of 2 smaller than with the Jeans approach (˜2000 J21 versus ˜4000 J21). The main reason for this difference is the strong directional dependence of the H2 column density. With this lower value of Jcrit, the number of haloes exposed to a flux > Jcrit is larger by more than an order of magnitude compared to previous studies. This may translate into a similar enhancement in the predicted number density of black hole seeds.

  17. Thermal Pressure in Diffuse H2 Gas Measured by Herschel [C II] Emission and FUSE UV H2 Absorption

    NASA Astrophysics Data System (ADS)

    Velusamy, T.; Langer, W. D.; Goldsmith, P. F.; Pineda, J. L.

    2017-04-01

    UV absorption studies with the Far Ultraviolet Spectroscopic Explorer (FUSE) satellite have made important observations of H2 molecular gas in Galactic interstellar translucent and diffuse clouds. Observations of the 158 μm [C II] fine-structure line with Herschel trace the same H2 molecular gas in emission. We present [C II] observations along 27 lines of sight (LOSs) toward target stars of which 25 have FUSE H2 UV absorption. Two stars have only HST STIS C II λ2325 absorption data. We detect [C II] 158 μm emission features in all but one target LOS. For three target LOSs that are close to the Galactic plane, | {\\text{}}b| < 1°, we also present position-velocity maps of [C II] emission observed by Herschel Heterodyne Instrument in the Far Infrared (HIFI) in on-the-fly spectral-line mapping. We use the velocity-resolved [C II] spectra observed by the HIFI instrument toward the target LOSs observed by FUSE to identify [C II] velocity components associated with the H2 clouds. We analyze the observed velocity integrated [C II] spectral-line intensities in terms of the densities and thermal pressures in the H2 gas using the H2 column densities and temperatures measured by the UV absorption data. We present the H2 gas densities and thermal pressures for 26 target LOSs and from the [C II] intensities derive a mean thermal pressure in the range of ˜6100-7700 K cm-3 in diffuse H2 clouds. We discuss the thermal pressures and densities toward 14 targets, comparing them to results obtained using the UV absorption data for two other tracers C I and CO. Our results demonstrate the richness of the far-IR [C II] spectral data which is a valuable complement to the UV H2 absorption data for studying diffuse H2 molecular clouds. While the UV absorption is restricted to the directions of the target star, far-IR [C II] line emission offers an opportunity to employ velocity-resolved spectral-line mapping capability to study in detail the clouds’ spatial and velocity structures.

  18. The use of spin desalting columns in DMSO-quenched H/D-exchange NMR experiments

    PubMed Central

    Chandak, Mahesh S; Nakamura, Takashi; Takenaka, Toshio; Chaudhuri, Tapan K; Yagi-Utsumi, Maho; Chen, Jin; Kato, Koichi; Kuwajima, Kunihiro

    2013-01-01

    Dimethylsulfoxide (DMSO)-quenched hydrogen/deuterium (H/D)-exchange is a powerful method to characterize the H/D-exchange behaviors of proteins and protein assemblies, and it is potentially useful for investigating non-protected fast-exchanging amide protons in the unfolded state. However, the method has not been used for studies on fully unfolded proteins in a concentrated denaturant or protein solutions at high salt concentrations. In all of the current DMSO-quenched H/D-exchange studies of proteins so far reported, lyophilization was used to remove D2O from the protein solution, and the lyophilized protein was dissolved in the DMSO solution to quench the H/D exchange reactions and to measure the amide proton signals by two-dimensional nuclear magnetic resonance (2D NMR) spectra. The denaturants or salts remaining after lyophilization thus prevent the measurement of good NMR spectra. In this article, we report that the use of spin desalting columns is a very effective alternative to lyophilization for the medium exchange from the D2O buffer to the DMSO solution. We show that the medium exchange by a spin desalting column takes only about 10 min in contrast to an overnight length of time required for lyophilization, and that the use of spin desalting columns has made it possible to monitor the H/D-exchange behavior of a fully unfolded protein in a concentrated denaturant. We report the results of unfolded ubiquitin in 6.0M guanidinium chloride. PMID:23339068

  19. CO Column Density and Extinction in the Chamaeleon II--III Dark-Cloud Complex

    NASA Astrophysics Data System (ADS)

    Hayakawa, Takahiro; Cambrésy, Laurent; Onishi, Toshikazu; Mizuno, Akira; Fukui, Yasuo

    2001-12-01

    We carried out 13CO (J = 1 -- 0) and C18O (J = 1 -- 0) observations of the Chamaeleon II--III dark-cloud complex with the NANTEN radio telescope. The column densities of both molecular isotopes were derived assuming LTE. The AV values were obtained by scaling the AV values that were derived using an adaptive-grid star-count method applied to the DENIS J-band data. We established the AV--CO isotope column-density relations in Cha II and III, and compared them with those in Cha I. The slopes of the AV--13CO relations for Cha II and III are steeper than that for Cha I. Those of the AV -- C18O relations are similar among the three clouds. The total column density ratio, N(13O) / N(C18O, in Cha I tends to be small compared with those in Cha II or Cha III; the ratios range from ~ 5 to ~ 25 at low extinction in Cha II and III, but at most ~ 10 in Cha I. We suggest that the increase of N(13CO) due to the 13CO formation process causes cloud-to-cloud variations in the AV -- N(13CO) correlation.

  20. The O VI Mystery: Mismatch between X-Ray and UV Column Densities

    NASA Astrophysics Data System (ADS)

    Mathur, S.; Nicastro, F.; Gupta, A.; Krongold, Y.; McLaughlin, B. M.; Brickhouse, N.; Pradhan, A.

    2017-12-01

    The UV spectra of Galactic and extragalactic sightlines often show O VI absorption lines at a range of redshifts, and from a variety of sources from the Galactic circumgalactic medium to active galactic nuclei (AGN) outflows. Inner shell O VI absorption is also observed in X-ray spectra (at λ =22.03 Å), but the column density inferred from the X-ray line was consistently larger than that from the UV line. Here we present a solution to this discrepancy for the z = 0 systems. The O II Kβ line {}4{S}0\\to {(}3D)3{p}4P at 562.40 eV (≡22.04 Å) is blended with the O VI Kα line in X-ray spectra. We estimate the strength of this O II line in two different ways, and show that in most cases the O II line accounts for the entire blended line. The small amount of O VI equivalent width present in some cases has column density entirely consistent with the UV value. This solution to the O VI discrepancy, however, does not apply to high column-density systems like AGN outflows. We discuss other possible causes to explain their UV/X-ray mismatch. The O VI and O II lines will be resolved by gratings on board the proposed mission Arcus and the concept mission Lynx, and would allow the detection of weak O VI lines not just at z = 0, but also at higher redshift.

  1. Electron stripping processes of H{sup −} ion beam in the 80 kV high voltage extraction column and low energy beam transport line at LANSCE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Draganic, I. N., E-mail: draganic@lanl.gov

    Basic vacuum calculations were performed for various operating conditions of the Los Alamos National Neutron Science H{sup −} Cockcroft-Walton (CW) injector and the Ion Source Test Stand (ISTS). The vacuum pressure was estimated for both the CW and ISTS at five different points: (1) inside the H{sup −} ion source, (2) in front of the Pierce electrode, (3) at the extraction electrode, (4) at the column electrode, and (5) at the ground electrode. A static vacuum analysis of residual gases and the working hydrogen gas was completed for the normal ion source working regime. Gas density and partial pressure weremore » estimated for the injected hydrogen gas. The attenuation of H{sup −} beam current and generation of electron current in the high voltage acceleration columns and low energy beam transport lines were calculated. The interaction of H{sup −} ions on molecular hydrogen (H{sub 2}) is discussed as a dominant collision process in describing electron stripping rates. These results are used to estimate the observed increase in the ratio of electrons to H{sup −} ion beam in the ISTS beam transport line.« less

  2. Topology in Synthetic Column Density Maps for Interstellar Turbulence

    NASA Astrophysics Data System (ADS)

    Putko, Joseph; Burkhart, B. K.; Lazarian, A.

    2013-01-01

    We show how the topology tool known as the genus statistic can be utilized to characterize magnetohydrodyanmic (MHD) turbulence in the ISM. The genus is measured with respect to a given density threshold and varying the threshold produces a genus curve, which can suggest an overall ‘‘meatball,’’ neutral, or ‘‘Swiss cheese’’ topology through its integral. We use synthetic column density maps made from three-dimensional 5123 compressible MHD isothermal simulations performed for different sonic and Alfvénic Mach numbers (Ms and MA respectively). We study eight different Ms values each with one sub- and one super-Alfvénic counterpart. We consider sight-lines both parallel (x) and perpendicular (y and z) to the mean magnetic field. We find that the genus integral shows a dependence on both Mach numbers, and this is still the case even after adding beam smoothing and Gaussian noise to the maps to mimic observational data. The genus integral increases with higher Ms values (but saturates after about Ms = 4) for all lines of sight. This is consistent with greater values of Ms resulting in stronger shocks, which results in a clumpier topology. We observe a larger genus integral for the sub-Alfvénic cases along the perpendicular lines of sight due to increased compression from the field lines and enhanced anisotropy. Application of the genus integral to column density maps should allow astronomers to infer the Mach numbers and thus learn about the environments of interstellar turbulence. This work was supported by the National Science Foundation’s REU program through NSF Award AST-1004881.

  3. Properties of Two-Variety Natural Luffa Sponge Columns as Potential Mattress Filling Materials

    PubMed Central

    Chen, Yuxia; Zhang, Kaiting; Yuan, Fangcheng; Zhang, Tingting; Weng, Beibei; Wu, Shanshan; Huang, Aiyue; Su, Na; Guo, Yong

    2018-01-01

    Luffa sponge (LS) is a resourceful material with fibro-vascular reticulated structure and extremely high porosity, which make it a potential candidate for manufacturing light mattress. In this study, two types of LS columns, namely high-density (HD) and low-density (LD) columns, were investigated as materials for filling the mattress. The results showed that the compressive strength of HD LS columns was significantly greater than that of LD LS columns. However, the densification strains of the two types of LS column were both in the range of 0.6 to 0.7. Besides, HD LS columns separately pressed to the smooth plateau region and the initial densification region exhibited a partial recovery of instant height when they were unloaded, and then both of them showed no more than 4.2% of height recovery after being allowed to rest at a constant temperature and humidity for 24 h. In contrast, when LD LS columns were compressed to the smooth plateau region, the height recovery was less than 1.62% compared to when they were pressed to the initial densification region, and that was more than 15.62%. Similar to other plant fibers used as mattress fillers, the two types of LS columns also showed good water absorption capacity—both of them could absorb water from as much as 2.07 to 3.45 times their own weight. At the same time, the two types of LS columns also showed good water desorption. The water desorption ratio of HD and LD LS columns separately reached 76.86 and 91.44%, respectively, after being let rest at a constant temperature and humidity for 13 h. PMID:29614744

  4. Comparison of tropospheric NO2 vertical columns in an urban environment using satellite, multi-axis differential optical absorption spectroscopy, and in situ measurements

    NASA Astrophysics Data System (ADS)

    Mendolia, D.; D'Souza, R. J. C.; Evans, G. J.; Brook, J.

    2013-10-01

    Tropospheric NO2 vertical column densities have been retrieved and compared for the first time in Toronto, Canada, using three methods of differing spatial scales. Remotely sensed NO2 vertical column densities, retrieved from multi-axis differential optical absorption spectroscopy and satellite remote sensing, were evaluated by comparison with in situ vertical column densities estimated using a pair of chemiluminescence monitors situated 0.01 and 0.5 km a.g.l. (above ground level). The chemiluminescence measurements were corrected for the influence of NOz, which reduced the NO2 concentrations at 0.01 and 0.5 km by an average of 8 ± 1% and 12 ± 1%, respectively. The average absolute decrease in the chemiluminescence NO2 measurement as a result of this correction was less than 1 ppb. The monthly averaged ratio of the NO2 concentration at 0.5 to 0.01 km varied seasonally, and exhibited a negative linear dependence on the monthly average temperature, with Pearson's R = 0.83. During the coldest month, February, this ratio was 0.52 ± 0.04, while during the warmest month, July, this ratio was 0.34 ± 0.04, illustrating that NO2 is not well mixed within 0.5 km above ground level. Good correlation was observed between the remotely sensed and in situ NO2 vertical column densities (Pearson's R value ranging from 0.72 to 0.81), but the in situ vertical column densities were 52 to 58% greater than the remotely sensed columns. These results indicate that NO2 horizontal heterogeneity strongly impacted the magnitude of the remotely sensed columns. The in situ columns reflected an urban environment with major traffic sources, while the remotely sensed NO2 vertical column densities were representative of the region, which included spatial heterogeneity introduced by residential neighbourhoods and Lake Ontario. Despite the difference in absolute values, the reasonable correlation between the vertical column densities determined by three distinct methods increased confidence in the

  5. Changes of Dust Opacity with Density in the Orion A Molecular Cloud

    NASA Astrophysics Data System (ADS)

    Roy, Arabindo; Martin, Peter G.; Polychroni, Danae; Bontemps, Sylvain; Abergel, Alain; André, Philippe; Arzoumanian, Doris; Di Francesco, James; Hill, Tracey; Konyves, Vera; Nguyen-Luong, Quang; Pezzuto, Stefano; Schneider, Nicola; Testi, Leonardo; White, Glenn

    2013-01-01

    We have studied the opacity of dust grains at submillimeter wavelengths by estimating the optical depth from imaging at 160, 250, 350, and 500 μm from the Herschel Gould Belt Survey and comparing this to a column density obtained from the Two Micron All Sky Survey derived color excess E(J - K s). Our main goal was to investigate the spatial variations of the opacity due to "big" grains over a variety of environmental conditions and thereby quantify how emission properties of the dust change with column (and volume) density. The central and southern areas of the Orion A molecular cloud examined here, with N H ranging from 1.5 × 1021 cm-2 to 50 × 1021 cm-2, are well suited to this approach. We fit the multi-frequency Herschel spectral energy distributions (SEDs) of each pixel with a modified blackbody to obtain the temperature, T, and optical depth, τ1200, at a fiducial frequency of 1200 GHz (250 μm). Using a calibration of N H/E(J - Ks ) for the interstellar medium (ISM) we obtained the opacity (dust emission cross-section per H nucleon), σe(1200), for every pixel. From a value ~1 × 10-25 cm2 H-1 at the lowest column densities that is typical of the high-latitude diffuse ISM, σe(1200) increases as N 0.28 H over the range studied. This is suggestive of grain evolution. Integrating the SEDs over frequency, we also calculated the specific power P (emission power per H) for the big grains. In low column density regions where dust clouds are optically thin to the interstellar radiation field (ISRF), P is typically 3.7 × 10-31 W H-1, again close to that in the high-latitude diffuse ISM. However, we find evidence for a decrease of P in high column density regions, which would be a natural outcome of attenuation of the ISRF that heats the grains, and for localized increases for dust illuminated by nearby stars or embedded protostars.

  6. Density functional theory study of 3R- and 2H-CuAlO2 under pressure

    NASA Astrophysics Data System (ADS)

    Liu, Qi-Jun; Liu, Zheng-Tang; Feng, Li-Ping; Tian, Hao; Liu, Wen-Ting; Yan, Feng

    2010-10-01

    We present a first-principles density-functional theory based study of the impact of pressure on the structural and elastic properties of bulk 3R- and 2H-CuAlO2. The ground state properties of 3R- and 2H-CuAlO2 are obtained, which are in good agreement with previous experimental and theoretical data. The analysis of enthalpy variation with pressure indicates the phase transition pressure between 3R and 2H is 15.4 GPa. The independent elastic constants of 3R- and 2H-CuAlO2 are calculated. As the applied pressure increases, the calculations show the presences of mechanical instability at 26.2 and 27.8 GPa for 3R- and 2H-CuAlO2, which are possibly related with the phase transitions.

  7. Abundances and Excitation of H2, H3+ & CO in Star-Forming Regions

    NASA Astrophysics Data System (ADS)

    Kulesa, Craig A.

    Although most of the 123 reported interstellar molecules to date have been detected through millimeter-wave emission-line spectroscopy, this technique is inapplicable to non-polar molecules like H2 and H3+, which are central to our understanding of interstellar chemistry. Thus high resolution infrared absorption-line spectroscopy bears an important role in interstellar studies: chemically important non-polar molecules can be observed, and their abundances and excitation conditions can be referred to the same ``pencil beam'' absorbing column. In particular, through a weak quadrupole absorption line spectrum at near-infrared wavelengths, the abundance of cold H2 in dark molecular clouds and star forming regions can now be accurately measured and compared along the same ``pencil beam'' line of sight with the abundance of its most commonly cited surrogate, CO, and its rare isotopomers. Also detected via infrared line absorption is the pivotal molecular ion H3+, whose abundance provides the most direct measurement of the cosmic ray ionization rate in dark molecular clouds, a process that initiates the formation of many other observed molecules there. Our growing sample of H2 and CO detections now includes detailed multi-beam studies of the ρ Ophiuchi molecular cloud and NGC 2024 in Orion. We explore the excitation and degree of ortho- and para-H2 thermalization in dark clouds, variation of the CO abundance over a cloud, and the relation of H2 column density to infrared extinction mapping, far-infrared/submillimeter dust continuum emission, and large scale submillimeter CO, [C I] and HCO+ line emission -- all commonly invoked to indirectly trace H2 during the past 30+ years. For each of the distinct velocity components seen toward some embedded young stellar objects, we are also able to determine the temperature, density, and a CO/H2 abundance ratio, thus unraveling some of the internal structure of a star-forming cloud. H2 and H3+ continue to surprise and delight us

  8. Enantiomeric resolution of five chiral pesticides on a Chiralpak IB-H column by SFC.

    PubMed

    Jin, Lixia; Gao, Weiliang; Yang, Huayun; Lin, Chunmian; Liu, Weiping

    2011-10-01

    The enantiomeric separations of five chiral pesticides, diclofopmethyl, 1; benalaxy, 2; acetofenate, 3; myclobutanil, 4; and difenoconazole, 5, were conducted on a Chiralpak IB-H column by a packed-column supercritical fluid chromatography (p-SFC). All compounds, except difenoconazole and myclobutanil, were well resolved within 10 min. As the mobile phase polarity decreased through changing the percentage and the type of alcohol modifiers in the supercritical carbon dioxide (CO(2)), the retention time, the separation factors, and the resolution increased. However, based on the retention time and the resolution, the optimized separations were obtained with the mobile phase containing 10% 2-propanol for diclofop-methyl 1; benalaxy, 2; myclobutanil, 4; difenoconazole, 5; and containing 3% 2-propanol for acetofenate, 3. The optimized separation temperature was at 35°C under the supercritical fluid condition. The π-π interactions and the hydrogen bonding interactions between Chiralpak IB-H CSP and the analytes might be the main chiral discriminations on enantioseparation of these five pesticides.

  9. Removal of H2S pollutant from gasifier syngas by a multistage dual-flow sieve plate column wet scrubber.

    PubMed

    Kurella, Swamy; Bhukya, Pawan Kishan; Meikap, B C

    2017-05-12

    The objective of this study was to observe the performance of a lab-scale three-stage dual-flow sieve plate column scrubber for hydrogen sulfide (H 2 S) gas removal from a gas stream, in which the H 2 S concentration was similar to that of gasifier syngas. The tap water was used as scrubbing liquid. The gas and liquid were operated at flow rates in the range of 16.59 × 10 -4 -27.65 × 10 -4 Nm 3 /s and 20.649 × 10 -6 -48.183 × 10 -6 m 3 /s, respectively. The effects of gas and liquid flow rates on the percentage removal of H 2 S were studied at 50-300 ppm inlet concentrations of H 2 S. The increase in liquid flow rate, gas flow rate and inlet H 2 S concentration increased the percentage removal of H 2 S. The maximum of 78.88% removal of H 2 S was observed at 27.65 × 10 -4 Nm 3 /s gas flow rate and 48.183 × 10 -6 m 3 /s liquid flow rate for 300 ppm inlet concentration of H 2 S. A model has also been developed to predict the H 2 S gas removal by using the results from the experiments and adding the parameters that affect the scrubber's performance. The deviations between experimental and predicted H 2 S percentage removal values were observed as less than 16%.

  10. High density H2 associative absorption on Titanium alpha-borozene (Ti2B6H6): An ab-initio case study

    NASA Astrophysics Data System (ADS)

    Akbarzadeh, Alireza; Tymzcak, C. J.

    2011-03-01

    Hydrogen is considered as a clean energy carrier that could be a future replacement for our addiction to fossil fuels. However, in order to have hydrogen economy at its highest efficiently we need to store hydrogen at high volumetric and gravimetric density. Using the all electron hybrid density functional theory, we have designed a benzene-like-molecule, Ti2B6H6, which has the promise of achieving this goal. Our results show that the molecule can associatively absorb the hydrogen up to ten percent by weight of hydrogen, which exceeds the 2015 US department of energy target. In this presentation we will discuss the mechanisms of H2 absorption and possible applications of this novel molecule. This research is funded by the Welch Foundation under Grant J. 1675 and the Texas Southern University High Performance Computing Center.

  11. The dependence of gamma-ray burst X-ray column densities on the model for Galactic hydrogen

    NASA Astrophysics Data System (ADS)

    Arcodia, R.; Campana, S.; Salvaterra, R.

    2016-05-01

    We study the X-ray absorption of a complete sample of 99 bright Swift gamma-ray bursts (GRBs). In recent years, a strong correlation has been found between the intrinsic X-ray absorbing column density (NH(z)) and the redshift. This absorption excess in high-z GRBs is now thought to be due to the overlooked contribution of the absorption along the intergalactic medium (IGM), by means of both intervening objects and the diffuse warm-hot intergalactic medium along the line of sight. In this work we neglect the absorption along the IGM, because our purpose is to study the eventual effect of a radical change in the Galactic absorption model on the NH(z) distribution. Therefore, we derive the intrinsic absorbing column densities using two different Galactic absorption models: the Leiden Argentine Bonn HI survey and the more recent model that includes molecular hydrogen. We find that if, on the one hand, the new Galactic model considerably affects the single column density values, on the other hand, there is no drastic change in the distribution as a whole. It becomes clear that the contribution of Galactic column densities alone, no matter how improved, is not sufficient to change the observed general trend and it has to be considered as a second order correction. The cosmological increase of NH(z) as a function of redshift persists and, to explain the observed distribution, it is necessary to include the contribution of both the diffuse intergalactic medium and the intervening systems along the line of sight of the GRBs.

  12. Effect of extra-column volume on practical chromatographic parameters of sub-2-μm particle-packed columns in ultra-high pressure liquid chromatography.

    PubMed

    Wu, Naijun; Bradley, Ashley C; Welch, Christopher J; Zhang, Li

    2012-08-01

    Effects of extra-column volume on apparent separation parameters were studied in ultra-high pressure liquid chromatography with columns and inlet connection tubings of various internal diameters (id) using 50-mm long columns packed with 1.8-μm particles under isocratic conditions. The results showed that apparent retention factors were on average 5, 11, 18, and 41% lower than those corrected with extra-column volumes for 4.6-, 3.0-, 2.1-, and 1.0-mm id columns, respectively, when the extra-column volume (11.3 μL) was kept constant. Also, apparent pressures were 31, 16, 12, and 10% higher than those corrected with pressures from extra-column volumes for 4.6-, 3.0-, 2.1-, and 1.0-mm id columns at the respective optimum flow rate for a typical ultra-high pressure liquid chromatography system. The loss in apparent efficiency increased dramatically from 4.6- to 3.0- to 2.1- to 1.0-mm id columns, less significantly as retention factors increased. The column efficiency was significantly improved as the inlet tubing id was decreased for a given column. The results suggest that maximum ratio of extra-column volume to column void volume should be approximately 1:10 for column porosity more than 0.6 and a retention factor more than 5, where 80% or higher of theoretically predicted efficiency could be achieved. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. On the link between column density distribution and density scaling relation in star formation regions

    NASA Astrophysics Data System (ADS)

    Veltchev, Todor; Donkov, Sava; Stanchev, Orlin

    2017-07-01

    We present a method to derive the density scaling relation ∝ L^{-α} in regions of star formation or in their turbulent vicinities from straightforward binning of the column-density distribution (N-pdf). The outcome of the method is studied for three types of N-pdf: power law (7/5≤α≤5/3), lognormal (0.7≲α≲1.4) and combination of lognormals. In the last case, the method of Stanchev et al. (2015) was also applied for comparison and a very weak (or close to zero) correlation was found. We conclude that the considered `binning approach' reflects rather the local morphology of the N-pdf with no reference to the physical conditions in a considered region. The rough consistency of the derived slopes with the widely adopted Larson's (1981) value α˜1.1 is suggested to support claims that the density-size relation in molecular clouds is indeed an artifact of the observed N-pdf.

  14. Are CO Observations of Interstellar Clouds Tracing the H2?

    NASA Astrophysics Data System (ADS)

    Federrath, Christoph; Glover, S. C. O.; Klessen, R. S.; Mac Low, M.

    2010-01-01

    Interstellar clouds are commonly observed through the emission of rotational transitions from carbon monoxide (CO). However, the abundance ratio of CO to molecular hydrogen (H2), which is the most abundant molecule in molecular clouds is only about 10-4. This raises the important question of whether the observed CO emission is actually tracing the bulk of the gas in these clouds, and whether it can be used to derive quantities like the total mass of the cloud, the gas density distribution function, the fractal dimension, and the velocity dispersion--size relation. To evaluate the usability and accuracy of CO as a tracer for H2 gas, we generate synthetic observations of hydrodynamical models that include a detailed chemical network to follow the formation and photo-dissociation of H2 and CO. These three-dimensional models of turbulent interstellar cloud formation self-consistently follow the coupled thermal, dynamical and chemical evolution of 32 species, with a particular focus on H2 and CO (Glover et al. 2009). We find that CO primarily traces the dense gas in the clouds, however, with a significant scatter due to turbulent mixing and self-shielding of H2 and CO. The H2 probability distribution function (PDF) is well-described by a log-normal distribution. In contrast, the CO column density PDF has a strongly non-Gaussian low-density wing, not at all consistent with a log-normal distribution. Centroid velocity statistics show that CO is more intermittent than H2, leading to an overestimate of the velocity scaling exponent in the velocity dispersion--size relation. With our systematic comparison of H2 and CO data from the numerical models, we hope to provide a statistical formula to correct for the bias of CO observations. CF acknowledges financial support from a Kade Fellowship of the American Museum of Natural History.

  15. Arctic Marine Water Isotope Characteristics: In-situ, Continuous Surface and Water Column Isoscapes (δ18O and δ2H) and Linkages into the Marine Food Web

    NASA Astrophysics Data System (ADS)

    Welker, J. M.; Klein, E. S.; Collins, E.; Iken, K.; Hopcroft, R. R.; Norcross, B.

    2016-12-01

    The Arctic is under going rapid and profound sea ice, temperature, food web, ocean current, precipitation and synoptic weather changes. Delineating these changes requires a suite of tools, especially those that have the ability to depict the interactive nature of the marine system. Understanding the marine water isotope cycle is paramount to recognizing the unique isotopic properties of this region and to characterize possibly the reorganization of the Arctic. The Arctic marine water isotope system has been primarily examined with shore-based stations and or episodic station sampling; without continuous surface water sampling in combination with station-specific water column and organismic measurements. New technologies that allow in situ and continuous water isotope measurements (vapor and liquid) and the integration of inorganic and organic water isotope geochemistry provide a means to reveal in more detail the fundamental traits of the Arctic marine water isotope system. In July and August of 2016, we are measuring seawater surface (8 m depth) isotopes (δ18O and δ2H) in-situ and continuously (Picarro CWS system) along a research transect (60oN to 77oN) from the Gulf of Alaska to the Arctic Ocean Basin. These continuous surface water isotope measurements are being combined with periodic water column isotope profiling and corresponding organic δ18O and δ2H measurements of pelagic and benthic organisms (microbes to fish) to depths of up to 2600m. We measured surface seawater δ18O that from -1‰ to -6‰; while seawater profiles followed vertical separation in the water column; possibly reflecting divergent currents of the Arctic. Station based δ18O and δ2H values of surface water did not vary by more than 1‰ δ18O over the course of our 24-36 hour sampling periods. The δ18O and δ2H values of marine organism throughout the water column and by trophic level will be analyzed and a seawater-food web model will be developed in addition to surface and water

  16. Detection of C2H4 Neptune from ISO/PHT-S Observations

    NASA Technical Reports Server (NTRS)

    Schulz, B.; Encrenaz, Th.; Bezard, B.; Romani, P. N.; Lellouch, E.; Atreya, S. K.

    1999-01-01

    The 6-12 micrometer spectrum of Neptune has been recorded with the PHT-S instrument of the Infrared Space Observatory (ISO) at a resolution of 0.095 micrometer. In addition to the emissions of CH4, CH3D and C2H6 previously identified, the spectrum shows the first firm identification of ethylene C2H4. The inferred column density above the 0.2-mbar level is in the range (1.1 - 3) x 10(exp 14) molecules/cm. To produce this low amount, previous photochemical models invoked rapid mixing between the source and sink regions of C2H4. We show that this requirement can be relaxed if recent laboratory measurements of CH4 photolysis branching ratios at Lyman alpha are used.

  17. Quasiparticle interference, quasiparticle interactions, and the origin of the charge density wave in 2H-NbSe2.

    PubMed

    Arguello, C J; Rosenthal, E P; Andrade, E F; Jin, W; Yeh, P C; Zaki, N; Jia, S; Cava, R J; Fernandes, R M; Millis, A J; Valla, T; Osgood, R M; Pasupathy, A N

    2015-01-23

    We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe2 that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe2. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiology and the interactions. In 2H-NbSe2, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.

  18. Ferroelectricity in high-density H 2O ice

    DOE PAGES

    Caracas, Razvan; Hemley, Russell J.

    2015-04-01

    The origin of longstanding anomalies in experimental studies of the dense solid phases of H 2O ices VII, VIII, and X is examined using a combination of first-principles theoretical methods. We find that a ferroelectric variant of ice VIII is energetically competitive with the established antiferroelectric form under pressure. The existence of domains of the ferroelectric form within anti-ferroelectric ice can explain previously observed splittings in x-ray diffraction data. The ferroelectric form is stabilized by density and is accompanied by the onset of spontaneous polarization. Here, the presence of local electric fields triggers the preferential parallel orientation of the watermore » molecules in the structure, which could be stabilized in bulk using new high-pressure techniques.« less

  19. Removal of H 2S via an iron catalytic cycle and iron sulfide precipitation in the water column of dead end tributaries

    NASA Astrophysics Data System (ADS)

    Ma, Shufen; Noble, Abigail; Butcher, Derek; Trouwborst, Robert E.; Luther, George W., III

    2006-11-01

    The oxidation and precipitation of H 2S were investigated in Torquay Canal and Bald Eagle Creek, two tributaries of northern Rehoboth Bay, one of the Delaware Inland Bays. These man-made dead end canals develop seasonal anoxia and have been the site of past fish kills and harmful algal blooms. The canals have multiple holes over 5.5 m deep compared to an average low tide depth of 2 m. In situ determination for dissolved O 2, H 2S and other Fe and S redox species were conducted with a solid-state Au/Hg microelectrode in 2003 and 2004. Laboratory analyses of discrete samples were also performed to measure dissolved and particulate Fe, Mn, and S 8 to follow the seasonal dynamics of O, S, Fe and Mn redox species. Our results indicate that the water in the holes becomes stratified with O 2 decreasing with depth and H 2S increasing with depth. Dissolved Fe was as high as 30 μM whereas dissolved Mn was only 0.2 μM in the water column, indicating that Fe is the dominant metal involved in S redox cycling and precipitation. In surface oxic waters, the dominant form of Fe was particulate Fe(III) (oxy)hydroxides. When seasonal anoxia developed, Fe(III) (oxy)hydroxides were reduced by H 2S to Fe(II) at the oxic-anoxic interface. The Fe(II) reduced from particulate Fe can be re-oxidized to Fe(III) by O 2 above and at the interface to form a catalytic cycle to oxidize H 2S. Elemental S is the predominant oxidation product and was as high as 30 μM level (as S 0) at the interface. When the system was stable, the Fe catalytic cycle prevented H 2S from being released into surface waters during seasonal anoxia. However, when storms came, the water column was overturned and H 2S was released to the surface water. The reaction rates for the Fe catalytic cycle are not fast enough and the concentration of Fe was not high enough to regulate the high concentration of H 2S in surface waters during storm and mixing events.

  20. Diurnal, seasonal and long-term variations of global formaldehyde columns inferred from combined OMI and GOME-2 observations

    NASA Astrophysics Data System (ADS)

    De Smedt, I.; Stavrakou, T.; Hendrick, F.; Danckaert, T.; Vlemmix, T.; Pinardi, G.; Theys, N.; Lerot, C.; Gielen, C.; Vigouroux, C.; Hermans, C.; Fayt, C.; Veefkind, P.; Müller, J.-F.; Van Roozendael, M.

    2015-11-01

    We present the new version (v14) of the BIRA-IASB algorithm for the retrieval of formaldehyde (H2CO) columns from spaceborne UV-visible sensors. Applied to OMI measurements from Aura and to GOME-2 measurements from MetOp-A and MetOp-B, this algorithm is used to produce global distributions of H2CO representative of mid-morning and early afternoon conditions. Its main features include (1) a new iterative DOAS scheme involving three fitting intervals to better account for the O2-O2 absorption, (2) the use of earthshine radiances averaged in the equatorial Pacific as reference spectra, and (3) a destriping correction and background normalisation resolved in the across-swath position. For the air mass factor calculation, a priori vertical profiles calculated by the IMAGES chemistry transport model at 09:30 and 13:30 LT are used. Although the resulting GOME-2 and OMI H2CO vertical columns are found to be highly correlated, some systematic differences are observed. Afternoon columns are generally larger than morning ones, especially in mid-latitude regions. In contrast, over tropical rainforests, morning H2CO columns significantly exceed those observed in the afternoon. These differences are discussed in terms of the H2CO column variation between mid-morning and early afternoon, using ground-based MAX-DOAS measurements available from seven stations in Europe, China and Africa. Validation results confirm the capacity of the combined satellite measurements to resolve diurnal variations in H2CO columns. Furthermore, vertical profiles derived from MAX-DOAS measurements in the Beijing area and in Bujumbura are used for a more detailed validation exercise. In both regions, we find an agreement better than 15 % when MAX-DOAS profiles are used as a priori for the satellite retrievals. Finally, regional trends in H2CO columns are estimated for the 2004-2014 period using SCIAMACHY and GOME-2 data for morning conditions, and OMI for early afternoon conditions. Consistent features

  1. Diurnal, seasonal and long-term variations of global formaldehyde columns inferred from combined OMI and GOME-2 observations

    NASA Astrophysics Data System (ADS)

    De Smedt, I.; Stavrakou, T.; Hendrick, F.; Danckaert, T.; Vlemmix, T.; Pinardi, G.; Theys, N.; Lerot, C.; Gielen, C.; Vigouroux, C.; Hermans, C.; Fayt, C.; Veefkind, P.; Müller, J.-F.; Van Roozendael, M.

    2015-04-01

    We present the new version (v14) of the BIRA-IASB algorithm for the retrieval of formaldehyde (H2CO) columns from spaceborne UV-Visible sensors. Applied to OMI measurements from Aura and to GOME-2 measurements from MetOp-A and B, this algorithm is used to produce global distributions of H2CO representative of mid-morning and early afternoon conditions. Its main features include (1) a new iterative DOAS scheme involving three fitting intervals to better account for the O2-O2 absorption, (2) the use of earthshine radiances averaged in the equatorial Pacific as reference spectra, (3) a destriping correction and background normalisation resolved in the along-swath position. For the air mass factor calculation, a priori vertical profiles calculated by the IMAGES chemistry transport model at 9.30 a.m. and 13.30 p.m. are used. Although the resulting GOME-2 and OMI H2CO vertical columns are found to be highly correlated, some systematic differences are observed. Afternoon columns are generally larger than morning ones, especially in mid-latitude regions. In contrast, over tropical rainforests, morning H2CO columns significantly exceed those observed in the afternoon. These differences are discussed in terms of the H2CO column variation between mid-morning and early afternoon, using ground-based MAX-DOAS measurements available from seven stations in Europe, China and Africa. Validation results confirm the capacity of the combined satellite measurements to resolve diurnal variations in H2CO columns. Furthermore, vertical profiles derived from MAX-DOAS measurements in the Beijing area and in Bujumbura are used for a more detailed validation exercise. In both regions, we find an agreement better than 15% when MAX-DOAS profiles are used as a priori for the satellite retrievals. Finally regional trends in H2CO columns are estimated for the 2004-2014 period using SCIAMACHY and GOME-2 data for morning conditions, and OMI for early afternoon conditions. Consistent features are

  2. Fluorescent H2 Emission Lines from the Reflection Nebula NGC 7023 Observed with IGRINS

    NASA Astrophysics Data System (ADS)

    Le, Huynh Anh N.; Pak, Soojong; Kaplan, Kyle; Mace, Gregory; Lee, Sungho; Pavel, Michael; Jeong, Ueejeong; Oh, Heeyoung; Lee, Hye-In; Chun, Moo-Young; Yuk, In-Soo; Pyo, Tae-Soo; Hwang, Narae; Kim, Kang-Min; Park, Chan; Sok Oh, Jae; Yu, Young Sam; Park, Byeong-Gon; Minh, Young Chol; Jaffe, Daniel T.

    2017-05-01

    We have analyzed the temperature, velocity, and density of H2 gas in NGC 7023 with a high-resolution near-infrared spectrum of the northwestern filament of the reflection nebula. By observing NGC 7023 in the H and K bands at R ≃ 45,000 with the Immersion GRating INfrared Spectrograph, we detected 68 H2 emission lines within the 1″ × 15″ slit. The diagnostic ratio of 2-1 S(1)/1-0 S(1) is 0.41-0.56. In addition, the estimated ortho-to-para ratio (OPR) is 1.63-1.82, indicating that the H2 emission transitions in the observed region arise mostly from gas excited by UV fluorescence. Gradients in the temperature, velocity, and OPR within the observed area imply motion of the photodissociation region (PDR) relative to the molecular cloud. In addition, we derive the column density of H2 from the observed emission lines and compare these results with PDR models in the literature covering a range of densities and incident UV field intensities. The notable difference between PDR model predictions and the observed data, in high rotational J levels of ν = 1, is that the predicted formation temperature for newly formed H2 should be lower than that of the model predictions. To investigate the density distribution, we combine pixels in 1″ × 1″ areas and derive the density distribution at the 0.002 pc scale. The derived gradient of density suggests that NGC 7023 has a clumpy structure, including a high clump density of ˜105 cm-3 with a size smaller than ˜5 × 10-3 pc embedded in lower-density regions of 103-104 cm-3.

  3. Temperature as a third dimension in column-density mapping of dusty astrophysical structures associated with star formation

    NASA Astrophysics Data System (ADS)

    Marsh, K. A.; Whitworth, A. P.; Lomax, O.

    2015-12-01

    We present point process mapping (PPMAP), a Bayesian procedure that uses images of dust continuum emission at multiple wavelengths to produce resolution-enhanced image cubes of differential column density as a function of dust temperature and position. PPMAP is based on the generic `point process formalism, whereby the system of interest (in this case, a dusty astrophysical structure such as a filament or pre-stellar core) is represented by a collection of points in a suitably defined state space. It can be applied to a variety of observational data, such as Herschel images, provided only that the image intensity is delivered by optically thin dust in thermal equilibrium. PPMAP takes full account of the instrumental point-spread functions and does not require all images to be degraded to the same resolution. We present the results of testing using simulated data for a pre-stellar core and a fractal turbulent cloud, and demonstrate its performance with real data from the Herschel infrared Galactic Plane Survey (Hi-GAL). Specifically, we analyse observations of a large filamentary structure in the CMa OB1 giant molecular cloud. Histograms of differential column density indicate that the warm material (T ≳ 13 K) is distributed lognormally, consistent with turbulence, but the column densities of the cooler material are distributed as a high-density tail, consistent with the effects of self-gravity. The results illustrate the potential of PPMAP to aid in distinguishing between different physical components along the line of sight in star-forming clouds, and aid the interpretation of the associated Probability distribution functions (PDFs) of column density.

  4. Subduction factory 1. Theoretical mineralogy, densities, seismic wave speeds, and H2O contents

    NASA Astrophysics Data System (ADS)

    Hacker, Bradley R.; Abers, Geoffrey A.; Peacock, Simon M.

    2003-01-01

    We present a new compilation of physical properties of minerals relevant to subduction zones and new phase diagrams for mid-ocean ridge basalt, lherzolite, depleted lherzolite, harzburgite, and serpentinite. We use these data to calculate H2O content, density and seismic wave speeds of subduction zone rocks. These calculations provide a new basis for evaluating the subduction factory, including (1) the presence of hydrous phases and the distribution of H2O within a subduction zone; (2) the densification of the subducting slab and resultant effects on measured gravity and slab shape; and (3) the variations in seismic wave speeds resulting from thermal and metamorphic processes at depth. In considering specific examples, we find that for ocean basins worldwide the lower oceanic crust is partially hydrated (<1.3 wt % H2O), and the uppermost mantle ranges from unhydrated to ˜20% serpentinized (˜2.4 wt % H2O). Anhydrous eclogite cannot be distinguished from harzburgite on the basis of wave speeds, but its ˜6% greater density may render it detectable through gravity measurements. Subducted hydrous crust in cold slabs can persist to several gigapascals at seismic velocities that are several percent slower than the surrounding mantle. Seismic velocities and VP/VS ratios indicate that mantle wedges locally reach 60-80% hydration.

  5. Broad N2H+ Emission toward the Protostellar Shock L1157-B1

    NASA Astrophysics Data System (ADS)

    Codella, C.; Viti, S.; Ceccarelli, C.; Lefloch, B.; Benedettini, M.; Busquet, G.; Caselli, P.; Fontani, F.; Gómez-Ruiz, A.; Podio, L.; Vasta, M.

    2013-10-01

    We present the first detection of N2H+ toward a low-mass protostellar outflow, namely, the L1157-B1 shock, at ~0.1 pc from the protostellar cocoon. The detection was obtained with the IRAM 30 m antenna. We observed emission at 93 GHz due to the J = 1-0 hyperfine lines. Analysis of this emission coupled with HIFI CHESS multiline CO observations leads to the conclusion that the observed N2H+(1-0) line originated from the dense (>=105 cm-3) gas associated with the large (20''-25'') cavities opened by the protostellar wind. We find an N2H+ column density of a few 1012 cm-2 corresponding to an abundance of (2-8) × 10-9. The N2H+ abundance can be matched by a model of quiescent gas evolved for more than 104 yr, i.e., for more than the shock kinematical age (sime2000 yr). Modeling of C-shocks confirms that the abundance of N2H+ is not increased by the passage of the shock. In summary, N2H+ is a fossil record of the pre-shock gas, formed when the density of the gas was around 104 cm-3, and then further compressed and accelerated by the shock.

  6. Trends in formaldehyde columns over the Amazon rainforest, as observed from space with SCIAMACHY, OMI and GOME-2 spectrometers.

    NASA Astrophysics Data System (ADS)

    De Smedt, Isabelle; Stavrakou, Trissevgeni; Lerot, Christophe; Yu, Huan; François, Hendrick; Gielen, Clio; Pinardi, Gaia; Muller, Jean-François; Van Roozendael, Michel

    2015-04-01

    Atmospheric formaldehyde (H2CO) is a central carbonyl compound of tropospheric chemistry. It is produced by the oxidation of a large variety of volatile organic compounds (VOCs), from biogenic, pyrogenic or anthropogenic emission sources. Tropical vegetation, in particular the Amazon forest that represents over half of the planet's remaining rainforests, emit a wide range of highly reactive biogenic volatile organic compounds (BVOCs). Those play a critical role in atmospheric chemistry and climate, by changing the oxidation capacity of the atmosphere and thus the lifetimes of other key trace gases such as CO and CH4, and by producing organic aerosols. Satellite observations of H2CO, bringing information at the global scale and over decades, are essential to trace and understand the nature and the spatio-temporal evolution of VOC emissions. We have been developing algorithms to retrieve formaldehyde columns from satellite nadir UV spectral measurements, and we have processed the full level-1 datasets of GOME/ERS-2, SCIAMACHY/ENVISAT, GOME-2/METOPA&B and OMI/AURA (De Smedt et al., 2008; 2012; 2015). Resulting H2CO products are openly distributed via the TEMIS website (http://h2co.aeronomie.be). In this work, we use the morning and afternoon H2CO columns between 2004 and 2014, respectively composed by the SCIAMACHY and GOME2 A&B datasets, and from the OMI observations, to study the diurnal, seasonal and long-term variations of H2CO over the Amazon rainforest. The highest H2CO columns worldwide are observed, with morning columns markedly higher than early afternoon. Very large variations between the dry and the wet seasons occur each year. Importantly, in some areas of the forest, mainly in the Rondonia Brazilian State, we observe a net decrease of the H2CO columns. We find very high correlation coefficients between the satellite H2CO columns and the reported deforestation fires that have significantly decreased in Rondonia since 2004 [INPE].

  7. High resolution mapping of NO2 column densities along the western shore of Lake Michigan and the Los Angeles Basin during May/June 2017

    NASA Astrophysics Data System (ADS)

    Judd, L. M.; Al-Saadi, J. A.; Janz, S. J.; Kowalewski, M. G.; Szykman, J.; Swap, R.; Abuhassan, N.; Cede, A.; Valin, L.; Williams, D.; Stanier, C. O.

    2017-12-01

    The airborne Geostationary Trace gas and Aerosol Sensor Optimization (GeoTASO) UV/VIS mapping spectrometer was used to make measurements for the Lake Michigan Ozone Study (LMOS) along the western shore of Lake Michigan and for the Student Airborne Research Program (SARP) in the Los Angeles Basin during May and June 2017. This instrument has the capability of retrieving NO2 column densities at sub-urban spatial scales (nominally 250 m x 250 m) and is being used as a testbed for future geostationary air quality retrievals. LMOS was a multi-agency collaborative observational effort to better understand ozone pollution along Lake Michigan's western shore, where coastal monitors exceed current ozone standards. With 21 science flights during the 5-week campaign period, GeoTASO acquired data for constraining emissions along the western coast of Lake Michigan and observed how these emissions dispersed and influenced the local air quality. During SARP flights, GeoTASO was used to map the Los Angeles Basin five times over two days, observing NO2 Differential Slant Column densities (DSCs) ranging from over 50x1015 molecules cm-2 down to GeoTASO's detection limit ( 1.5x1015 molecules cm-2 at 250 m x 250 m). This work presents the spatial distribution of preliminary NO2 DSCs observations over both research areas, and shows how this it changed at hourly to multi-day timescales under varying meteorological conditions. Both LMOS and SARP included coincident column NO2 measurements from networks of ground-based Pandora spectrometers specifically set up for these campaigns, and a comparison of coincident observations will be shown. Consistent features were observed throughout these flights, including continual emission `hot-spots' and the redistribution of NO2 plumes by land-water circulations. One goal of this work is to investigate how the fine spatial features observed (e.g. power plant plumes) will be depicted in satellite observations at coarser spatial resolutions. These

  8. Fluorescent H{sub 2} Emission Lines from the Reflection Nebula NGC 7023 Observed with IGRINS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Le, Huynh Anh N.; Pak, Soojong; Lee, Hye-In

    We have analyzed the temperature, velocity, and density of H{sub 2} gas in NGC 7023 with a high-resolution near-infrared spectrum of the northwestern filament of the reflection nebula. By observing NGC 7023 in the H and K bands at R ≃ 45,000 with the Immersion GRating INfrared Spectrograph, we detected 68 H{sub 2} emission lines within the 1″ × 15″ slit. The diagnostic ratio of 2-1 S(1)/1-0 S(1) is 0.41−0.56. In addition, the estimated ortho-to-para ratio (OPR) is 1.63−1.82, indicating that the H{sub 2} emission transitions in the observed region arise mostly from gas excited by UV fluorescence. Gradients inmore » the temperature, velocity, and OPR within the observed area imply motion of the photodissociation region (PDR) relative to the molecular cloud. In addition, we derive the column density of H{sub 2} from the observed emission lines and compare these results with PDR models in the literature covering a range of densities and incident UV field intensities. The notable difference between PDR model predictions and the observed data, in high rotational J levels of ν = 1, is that the predicted formation temperature for newly formed H{sub 2} should be lower than that of the model predictions. To investigate the density distribution, we combine pixels in 1″ × 1″ areas and derive the density distribution at the 0.002 pc scale. The derived gradient of density suggests that NGC 7023 has a clumpy structure, including a high clump density of ∼10{sup 5} cm{sup −3} with a size smaller than ∼5 × 10{sup −3} pc embedded in lower-density regions of 10{sup 3}–10{sup 4} cm{sup −3}.« less

  9. Submillimeter H2O and H2O+emission in lensed ultra- and hyper-luminous infrared galaxies at z 2-4

    NASA Astrophysics Data System (ADS)

    Yang, C.; Omont, A.; Beelen, A.; González-Alfonso, E.; Neri, R.; Gao, Y.; van der Werf, P.; Weiß, A.; Gavazzi, R.; Falstad, N.; Baker, A. J.; Bussmann, R. S.; Cooray, A.; Cox, P.; Dannerbauer, H.; Dye, S.; Guélin, M.; Ivison, R.; Krips, M.; Lehnert, M.; Michałowski, M. J.; Riechers, D. A.; Spaans, M.; Valiante, E.

    2016-11-01

    We report rest-frame submillimeter H2O emission line observations of 11 ultra- or hyper-luminous infrared galaxies (ULIRGs or HyLIRGs) at z 2-4 selected among the brightest lensed galaxies discovered in the Herschel-Astrophysical Terahertz Large Area Survey (H-ATLAS). Using the IRAM NOrthern Extended Millimeter Array (NOEMA), we have detected 14 new H2O emission lines. These include five 321-312ortho-H2O lines (Eup/k = 305 K) and nine J = 2 para-H2O lines, either 202-111(Eup/k = 101 K) or 211-202(Eup/k = 137 K). The apparent luminosities of the H2O emission lines are μLH2O 6-21 × 108 L⊙ (3 <μ< 15, where μ is the lens magnification factor), with velocity-integrated line fluxes ranging from 4-15 Jy km s-1. We have also observed CO emission lines using EMIR on the IRAM 30 m telescope in seven sources (most of those have not yet had their CO emission lines observed). The velocity widths for CO and H2O lines are found to be similar, generally within 1σ errors in the same source. With almost comparable integrated flux densities to those of the high-J CO line (ratios range from 0.4 to 1.1), H2O is found to be among the strongest molecular emitters in high-redshift Hy/ULIRGs. We also confirm our previously found correlation between luminosity of H2O (LH2O) and infrared (LIR) that LH2O LIR1.1-1.2, with ournew detections. This correlation could be explained by a dominant role of far-infrared pumping in the H2O excitation. Modelling reveals that the far-infrared radiation fields have warm dust temperature Twarm 45-75 K, H2O column density per unit velocity interval NH2O /ΔV ≳ 0.3 × 1015 cm-2 km-1 s and 100 μm continuum opacity τ100> 1 (optically thick), indicating that H2O is likely to trace highly obscured warm dense gas. However, further observations of J ≥ 4 H2O lines are needed to better constrain the continuum optical depth and other physical conditions of the molecular gas and dust. We have also detected H2O+ emission in three sources. A tight correlation

  10. Turbulence in Supercritical O2/H2 and C7H16/N2 Mixing Layers

    NASA Technical Reports Server (NTRS)

    Bellan, Josette; Harstad, Kenneth; Okong'o, Nora

    2003-01-01

    This report presents a study of numerical simulations of mixing layers developing between opposing flows of paired fluids under supercritical conditions, the purpose of the study being to elucidate chemical-species-specific aspects of turbulence. The simulations were performed for two different fluid pairs O2/H2 and C7H16/N2 at similar reduced initial pressures (reduced pressure is defined as pressure divided by critical pressure). Thermodynamically, O2/H2 behaves more nearly like an ideal mixture and has greater solubility, relative to C7H16/N2, which departs strongly from ideality. Because of a specified smaller initial density stratification, the C7H16/N2 layers exhibited greater levels of growth, global molecular mixing, and turbulence. However, smaller density gradients at the transitional state for the O2/H2 system were interpreted as indicating that locally, this system exhibits enhanced mixing as a consequence of its greater solubility and closer approach to ideality. These thermodynamic features were shown to affect entropy dissipation, which was found to be larger for O2/H2 and concentrated in high-density-gradient-magnitude regions that are distortions of the initial density-stratification boundary. In C7H16/N2, the regions of largest dissipation were found to lie in high-density-gradient-magnitude regions that result from mixing of the two fluids.

  11. Formaldehyde Column Density Measurements as a Suitable Pathway to Estimate Near-Surface Ozone Tendencies from Space

    NASA Technical Reports Server (NTRS)

    Schroeder, Jason R.; Crawford, James H.; Fried, Alan; Walega, James; Weinheimer, Andrew; Wisthaler, Armin; Mueller, Markus; Mikoviny, Tomas; Chen, Gao; Shook, Michael; hide

    2016-01-01

    In support of future satellite missions that aim to address the current shortcomings in measuring air quality from space, NASA's Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ) field campaign was designed to enable exploration of relationships between column measurements of trace species relevant to air quality at high spatial and temporal resolution. In the DISCOVER-AQ data set, a modest correlation (r2 = 0.45) between ozone (O3) and formaldehyde (CH2O) column densities was observed. Further analysis revealed regional variability in the O3-CH2O relationship, with Maryland having a strong relationship when data were viewed temporally and Houston having a strong relationship when data were viewed spatially. These differences in regional behavior are attributed to differences in volatile organic compound (VOC) emissions. In Maryland, biogenic VOCs were responsible for approx.28% of CH2O formation within the boundary layer column, causing CH2O to, in general, increase monotonically throughout the day. In Houston, persistent anthropogenic emissions dominated the local hydrocarbon environment, and no discernable diurnal trend in CH2O was observed. Box model simulations suggested that ambient CH2O mixing ratios have a weak diurnal trend (+/-20% throughout the day) due to photochemical effects, and that larger diurnal trends are associated with changes in hydrocarbon precursors. Finally, mathematical relationships were developed from first principles and were able to replicate the different behaviors seen in Maryland and Houston. While studies would be necessary to validate these results and determine the regional applicability of the O3-CH2O relationship, the results presented here provide compelling insight into the ability of future satellite missions to aid in monitoring near-surface air quality.

  12. The low density type III ELMy H-mode regime on JET-ILW: a low density H-mode compatible with a tungsten divertor?

    NASA Astrophysics Data System (ADS)

    Delabie, E.; Hillesheim, J. C.; Mailloux, J.; Maggi, C. F.; Rimini, F.; Solano, E. R.; JET contributors Team

    2016-10-01

    The threshold power to access H-mode on JET-ILW has a minimum as function of density. Power ramps in the low and high density branch show qualitatively very different behavior above threshold. In the high density branch, edge density and temperature abruptly increase after the L-H transition, and the plasma evolves into a type I ELMy H-mode. Transitions in the low density branch are gradual and lead to the formation of a temperature pedestal, without increase in edge density. These characteristics are reminiscent of the I-mode regime, but with high frequency ELM activity. The small ELMs allow stable H-mode operation with tolerable tungsten contamination, as long as both density and power stay below the type I ELM boundary. The density range in which the low density branch can be accessed scales favourably with toroidal field but unfavourably with isotope mass. At BT=3.4T, a stable H-mode has been obtained at = 2.9 1019 m-3 with up to 15 MW of heating power at H98y 0.9. Better knowledge of the operational boundaries of this high frequency ELM regime could provide insight in how to sustain it at higher heating power for high temperature scenarios. Work supported, in part, by the US DOE under Contract No. DE-AC05-00OR22725.

  13. Density functional study of H2O molecule adsorption on α-U(001) surface.

    PubMed

    Huang, Shanqisong; Zeng, Xiu-Lin; Zhao, Feng-Qi; Ju, Xuehai

    2016-04-01

    Periodic density functional theory (DFT) calculations were performed to investigate the adsorption of H2O on U(001) surface. The metallic nature of uranium atom and different adsorption sites of U(001) surface play key roles in the H2O molecular dissociate reaction. The long-bridge site is the most favorable site of H2O-U(001) adsorption configuration. The triangle-center site of the H atom is the most favorable site of HOH-U(001) adsorption configuration. The interaction between H2O and U surface is more evident on the first layer than that on any other two sub-layers. The dissociation energy of one hydrogen atom from H2O is -1.994 to -2.215 eV on U(001) surface, while the dissociating energy decreases to -3.351 to -3.394 eV with two hydrogen atoms dissociating from H2O. These phenomena also indicate that the Oads can promote the dehydrogenation of H2O. A significant charge transfer from the first layer of the uranium surface to the H and O atoms is also found to occur, making the bonding partly ionic.

  14. Gain-scheduled {{\\mathscr{H}}}_{\\infty } buckling control of a circular beam-column subject to time-varying axial loads

    NASA Astrophysics Data System (ADS)

    Schaeffner, Maximilian; Platz, Roland

    2018-06-01

    For slender beam-columns loaded by axial compressive forces, active buckling control provides a possibility to increase the maximum bearable axial load above that of a purely passive structure. In this paper, an approach for gain-scheduled {{\\mathscr{H}}}∞ buckling control of a slender beam-column with circular cross-section subject to time-varying axial loads is investigated experimentally. Piezo-elastic supports with integrated piezoelectric stack actuators at the beam-column ends allow an active stabilization in arbitrary lateral directions. The axial loads on the beam-column influence its lateral dynamic behavior and, eventually, cause the beam-column to buckle. A reduced modal model of the beam-column subject to axial loads including the dynamics of the electrical components is set up and calibrated with experimental data. Particularly, the linear parameter-varying open-loop plant is used to design a model-based gain-scheduled {{\\mathscr{H}}}∞ buckling control that is implemented in an experimental test setup. The beam-column is loaded by ramp- and step-shaped time-varying axial compressive loads that result in a lateral deformation of the beam-column due to imperfections, such as predeformation, eccentric loading or clamping moments. The lateral deformations and the maximum bearable loads of the beam-column are analyzed and compared for the beam-column with and without gain-scheduled {{\\mathscr{H}}}∞ buckling control or, respectively, active and passive configuration. With the proposed gain-scheduled {{\\mathscr{H}}}∞ buckling control it is possible to increase the maximum bearable load of the active beam-column by 19% for ramp-shaped axial loads and to significantly reduce the beam-column deformations for step-shaped axial loads compared to the passive structure.

  15. Long-term Variability of H2CO Masers in Star-forming Regions

    NASA Astrophysics Data System (ADS)

    Andreev, N.; Araya, E. D.; Hoffman, I. M.; Hofner, P.; Kurtz, S.; Linz, H.; Olmi, L.; Lorran-Costa, I.

    2017-10-01

    We present results of a multi-epoch monitoring program on variability of 6 cm formaldehyde (H2CO) masers in the massive star-forming region NGC 7538 IRS 1 from 2008 to 2015, conducted with the Green Bank Telescope, the Westerbork Radio Telescope , and the Very Large Array. We found that the similar variability behaviors of the two formaldehyde maser velocity components in NGC 7538 IRS 1 (which was pointed out by Araya and collaborators in 2007) have continued. The possibility that the variability is caused by changes in the maser amplification path in regions with similar morphology and kinematics is discussed. We also observed 12.2 GHz methanol and 22.2 GHz water masers toward NGC 7538 IRS 1. The brightest maser components of CH3OH and H2O species show a decrease in flux density as a function of time. The brightest H2CO maser component also shows a decrease in flux density and has a similar LSR velocity to the brightest H2O and 12.2 GHz CH3OH masers. The line parameters of radio recombination lines and the 20.17 and 20.97 GHz CH3OH transitions in NGC 7538 IRS 1 are also reported. In addition, we observed five other 6 cm formaldehyde maser regions. We found no evidence of significant variability of the 6 cm masers in these regions with respect to previous observations, the only possible exception being the maser in G29.96-0.02. All six sources were also observed in the {{{H}}}213{CO} isotopologue transition of the 6 cm H2CO line; {{{H}}}213{CO} absorption was detected in five of the sources. Estimated column density ratios [{{{H}}}212{CO}]/[{{{H}}}213{CO}] are reported.

  16. Global distribution of the He+ column density observed by Extreme Ultra Violet Imager on the International Space Station

    NASA Astrophysics Data System (ADS)

    Hozumi, Yuta; Saito, Akinori; Yoshikawa, Ichiro; Yamazaki, Atsushi; Murakami, Go; Yoshioka, Kazuo; Chen, Chia-Hung

    2017-07-01

    The global distribution of He+ in the topside ionosphere was investigated using data of the He+ resonant scattering emission at 30.4 nm obtained by the Extreme Ultra Violet Imager (EUVI) onboard the International Space Station. The optical observation by EUVI from the low-Earth orbit provides He+ column density data above the altitude of 400 km, presenting a unique opportunity to study the He+ distribution with a different perspective from that of past studies using data from in situ measurements. We analyzed data taken in 2013 and elucidated, for the first time, the seasonal, longitudinal, and latitudinal variations of the He+ column density in the dusk sector. It was found that the He+ column density in the winter hemisphere was about twice that in the summer hemisphere. In the December solstice season, the magnitude of this hemispheric asymmetry was large (small) in the longitudinal sector where the geomagnetic declination is eastward (westward). In the June solstice season, this relationship between the He+ distribution and the geomagnetic declination is reversed. In the equinox seasons, the He+ column densities in the two hemispheres are comparable at most longitudes. The seasonal and longitudinal dependence of the hemispheric asymmetry of the He+ distribution was attributed to the geomagnetic meridional neutral wind in the F region ionosphere. The neutral wind effect on the He+ distribution was examined with an empirical neutral wind model, and it was confirmed that the transport of ions in the topside ionosphere is predominantly affected by the F region neutral wind and the geomagnetic configuration.

  17. The Fourth Flight of CHESS: Analysis of Interstellar H2 on the γ Ara Sightline

    NASA Astrophysics Data System (ADS)

    Kruczek, Nick E.; France, Kevin; Nell, Nicholas; Fleming, Brian

    2018-06-01

    In this talk, we describe the scientific motivation and technical development of the Colorado High-resolution Echelle Stellar Spectrograph (CHESS) sounding rocket, focusing on the preliminary science results for the fourth launch of the payload (CHESS-4). CHESS is a far ultraviolet rocket-borne instrument designed to study the atomic-to-molecular transitions within translucent cloud regions in the interstellar medium. CHESS-4 launched on 13 April 2018 aboard NASA/CU sounding rocket mission 36.333 UG. The target for this flight was γ Ara, a B1I star that is known to display a variable and equatorially enhanced stellar wind. We present flight results of interstellar molecular hydrogen excitation, including initial measurements of the column density and temperature, on the sightline. These results are compared to previous values that were calculated using the damping wings of low-J H2 absorption features in Copernicus spectra. We also present analogous flight data for the sightline toward β Sco, finding that the derived column density of the J” = 1 rotational level differs by a factor of ~2 when compared to the previous observations. We discuss the discrepancies between the two measurements and show that the source of the difference is likely due to the opacity of higher rotational levels contributing to the J” = 1 absorption wing, increasing the inferred column density in the previous work.

  18. Pressure, temperature and density drops along supercritical fluid chromatography columns in different thermal environments. III. Mixtures of carbon dioxide and methanol as the mobile phase.

    PubMed

    Poe, Donald P; Veit, Devon; Ranger, Megan; Kaczmarski, Krzysztof; Tarafder, Abhijit; Guiochon, Georges

    2014-01-03

    The pressure, temperature and density drops along SFC columns eluted with a CO2/methanol mobile phase were measured and compared with theoretical values. For columns packed with 3- and 5-μm particles the pressure and temperature drops were measured using a mobile phase of 95% CO2 and 5% methanol at a flow rate of 5mL/min, at temperatures from 20 to 100°C, and outlet pressures from 80 to 300bar. The density drop was calculated based on the temperature and pressure at the column inlet and outlet. The columns were suspended in a circulating air bath, either bare or covered with foam insulation. The experimental measurements were compared to theoretical results obtained by numerical simulation. For the convective air condition at outlet pressures above 100bar the average difference between the experimental and calculated temperature drops and pressure drops were 0.1°C and 0.7% for the bare 3-μm column, respectively, and were 0.6°C and 4.1% for the insulated column. The observed temperature drops for the insulated columns are consistent with those predicted by the Joule-Thomson coefficients for isenthalpic expansion. The dependence of the temperature and the pressure drops on the Joule-Thomson coefficient and kinematic viscosity are described for carbon dioxide mobile phases containing up to 20% methanol. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Rovibrationally-Resolved Direct Photodissociation Through The Lyman And Werner Transitions Of H_{2}

    NASA Astrophysics Data System (ADS)

    Gay, Christopher; Stancil, P. C.

    2008-03-01

    Direct photodissociation cross sections have been obtained for the Lyman and Werner transitions of H2 using a combination of ab initio and experimentally derived potential curves and dipole transition moments. The partial cross sections have been evaluated for transitions from all 301 rovibrational levels (v'',J'') of the ground electronic state and over a wavelength range that extends from 10nm to the dissociation threshold for each particular rovibrational state. For UV-irradiated molecular gas with column densities of 1016-1019cm-2, direct photodissociation can compete with the Solomon process as an H2 destruction process. This research was supported by NASA grant NNG06GJ11G from the Astrophysics Theory Program.

  20. Quasiparticle interference, quasiparticle interactions, and the origin of the charge density wave in 2 H – NbSe 2

    DOE PAGES

    Arguello, C. J.; Rosenthal, E. P.; Andrade, E. F.; ...

    2015-01-21

    We show that a small number of intentionally introduced defects can be used as a spectroscopic tool to amplify quasiparticle interference in 2H-NbSe₂ that we measure by scanning tunneling spectroscopic imaging. We show, from the momentum and energy dependence of the quasiparticle interference, that Fermi surface nesting is inconsequential to charge density wave formation in 2H-NbSe₂. We demonstrate that, by combining quasiparticle interference data with additional knowledge of the quasiparticle band structure from angle resolved photoemission measurements, one can extract the wave vector and energy dependence of the important electronic scattering processes thereby obtaining direct information both about the fermiologymore » and the interactions. In 2H-NbSe₂, we use this combination to confirm that the important near-Fermi-surface electronic physics is dominated by the coupling of the quasiparticles to soft mode phonons at a wave vector different from the charge density wave ordering wave vector.« less

  1. Plasmaspheric H+, He+, O+, He++, and O++ Densities and Temperatures

    NASA Technical Reports Server (NTRS)

    Gallagher, D. L.; Craven, P. D.; Comfort H.

    2013-01-01

    Thermal plasmaspheric densities and temperatures for five ion species have recently become available, even though these quantities were derived some time ago from the Retarding Ion Mass Spectrometer onboard the Dynamics Explorer 1 satellite over the years 1981-1984. The quantitative properties will be presented. Densities are found to have one behavior with lessor statistical variation below about L=2 and another with much greater variability above that Lshell. Temperatures also have a behavior difference between low and higher L-values. The density ratio He++/H+ is the best behaved with values of about 0.2% that slightly increase with increasing L. Unlike the He+/H+ density ratio that on average decreases with increasing Lvalue, the O+/H+ and O++/H+ density ratios have decreasing values below about L=2 and increasing average ratios at higher L-values. Hydrogen ion temperatures range from about 0.2 eV to several 10s of eV for a few measurements, although the bulk of the observations are of temperatures below 3 eV, again increasing with L-value. The temperature ratios of He+/H+ are tightly ordered around 1.0 except for the middle plasmasphere between L=3.5 and 4.5 where He+ temperatures can be significantly higher. The temperatures of He++, O+, and O++ are consistently higher than H+.

  2. Plasmaspheric H+, He+, He++, O+, and O++ Densities and Temperatures

    NASA Technical Reports Server (NTRS)

    Gallagher, G. L.; Craven, P. D.; Comfort, R. H.

    2013-01-01

    Thermal plasmaspheric densities and temperatures for five ion species have recently become available, even though these quantities were derived some time ago from the Retarding Ion Mass Spectrometer onboard the Dynamics Explorer 1 satellite over the years 1981-1984. The quantitative properties will be presented. Densities are found to have one behavior with lessor statistical variation below about L=2 and another with much greater variability above that Lshell. Temperatures also have a behavior difference between low and higher L-values. The density ratio He++/H+ is the best behaved with values of about 0.2% that slightly increase with increasing L. Unlike the He+/H+ density ratio that on average decreases with increasing Lvalue, the O+/H+ and O++/H+ density ratios have decreasing values below about L=2 and increasing average ratios at higher L-values. Hydrogen ion temperatures range from about 0.2 eV to several 10s of eV for a few measurements, although the bulk of the observations are of temperatures below 3 eV, again increasing with L-value. The temperature ratios of He+/H+ are tightly ordered around 1.0 except for the middle plasmasphere between L=3.5 and 4.5 where He+ temperatures can be significantly higher. The temperatures of He++, O+, and O++ are consistently higher than H+.

  3. Glyoxal Vertical Column Retrievals from the GOME-2/METOP-A European Spaceborne Sensor and Comparisons with the IMAGESv2 CT Model

    NASA Astrophysics Data System (ADS)

    Lerot, C.; Stavrakou, T.; de Smedt, I.; Muller, J. J.; van Roozendael, M.

    2010-12-01

    Glyoxal is mostly formed in our atmosphere as an intermediate product in the oxidation of non-methane volatile organic compounds (NMVOC). To a lesser extent, it is also directly emitted from biomass burning events and from fossil- and bio-fuel combustion processes. Several studies have estimated its atmospheric lifetime to 2-3 hours, which makes of glyoxal a good indicator for short-lived NMVOC emissions. Glyoxal is also known to be a precursor for secondary organic aerosols and could help to reduce the gap between observations and models for organic aerosol abundances. The three absorption bands of glyoxal in the visible region allow applying the DOAS (Differential Optical Absorption Spectroscopy) technique to retrieve its vertical column densities from the nadir backscattered light measurements performed by the GOME-2 satellite sensor. This instrument has been launched in October 2006 on board of the METOP-A platform and is characterized by a spatial resolution of 80 km x 40 km and by a large scan-width (1920 km) leading to a global coverage reached in 1.5 day. The GOME-2 glyoxal retrieval algorithm developed at BIRA-IASB accounts for the liquid water absorption and provides geophysically sound column measurements not only over lands but also over oceanic regions where spectral interferences between glyoxal and liquid water have been shown to be significant. The a-priori glyoxal vertical distribution required for the slant to vertical column conversion is provided by the global chemical transport model IMAGESv2. The highest glyoxal vertical column densities are mainly observed in continental tropical regions, while the mid-latitude columns strongly depend on the season with maximum values during warm months. An anthropogenic signature is also observed in highly populated regions of Asia. Comparisons with glyoxal columns simulated with IMAGESv2 in different regions of the world generally point to a missing glyoxal source in current models. As already reported from

  4. Densities and apparent molar volumes of atmospherically important electrolyte solutions. 2. The systems H(+)-HSO4(-)-SO4(2-)-H2O from 0 to 3 mol kg(-1) as a function of temperature and H(+)-NH4(+)-HSO4(-)-SO4)2-)-H2O from 0 to 6 mol kg(-1) at 25 °C using a Pitzer ion interaction model, and NH4HSO4-H2O and (NH4)3H(SO4)2-H2O over the entire concentration range.

    PubMed

    Clegg, S L; Wexler, A S

    2011-04-21

    A Pitzer ion interaction model has been applied to the systems H(2)SO(4)-H(2)O (0-3 mol kg(-1), 0-55 °C) and H(2)SO(4)-(NH(4))(2)SO(4)-H(2)O (0-6 mol kg(-1), 25 °C) for the calculation of apparent molar volume and density. The dissociation reaction HSO(4)(-)((aq)) ↔ H(+)((aq)) + SO(4)(2-)((aq)) is treated explicitly. Apparent molar volumes of the SO(4)(2-) ion at infinite dilution were obtained from part 1 of this work, (1) and the value for the bisulfate ion was determined in this study from 0 to 55 °C. In dilute solutions of both systems, the change in the degree of dissociation of the HSO(4)(-) ion with concentration results in much larger variations of the apparent molar volumes of the solutes than for conventional strong (fully dissociated) electrolytes. Densities and apparent molar volumes are tabulated. Apparent molar volumes calculated using the model are combined with other data for the solutes NH(4)HSO(4) and (NH(4))(3)H(SO(4))(2) at 25 °C to obtain apparent molar volumes and densities over the entire concentration range (including solutions supersaturated with respect to the salts).

  5. Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory

    DTIC Science & Technology

    2017-05-04

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--17-9723 Equilibrium Structures and Absorption Spectra for SixOy-nH2O Molecular...Absorption Spectra for SixOy-nH2O Molecular Clusters using Density Functional Theory L. Huang, S.G. Lambrakos, and L. Massa1 Naval Research Laboratory, Code...and time-dependent density functional theory (TD-DFT). The size of the clusters considered is relatively large compared to those considered in

  6. Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations.

    PubMed

    Bandura, A V; Sofo, J O; Kubicki, J D

    2006-04-27

    Plane-wave density functional theory (DFT-PW) calculations were performed on bulk SnO2 (cassiterite) and the (100), (110), (001), and (101) surfaces with and without H2O present. A classical interatomic force field has been developed to describe bulk SnO2 and SnO2-H2O surface interactions. Periodic density functional theory calculations using the program VASP (Kresse et al., 1996) and molecular cluster calculations using Gaussian 03 (Frisch et al., 2003) were used to derive the parametrization of the force field. The program GULP (Gale, 1997) was used to optimize parameters to reproduce experimental and ab initio results. The experimental crystal structure and elastic constants of SnO2 are reproduced reasonably well with the force field. Furthermore, surface atom relaxations and structures of adsorbed H2O molecules agree well between the ab initio and force field predictions. H2O addition above that required to form a monolayer results in consistent structures between the DFT-PW and classical force field results as well.

  7. Comparison of GOME tropospheric NO2 columns with NO2 profiles deduced from ground-based in situ measurements

    NASA Astrophysics Data System (ADS)

    Schaub, D.; Boersma, K. F.; Kaiser, J. W.; Weiss, A. K.; Folini, D.; Eskes, H. J.; Buchmann, B.

    2006-08-01

    Nitrogen dioxide (NO2) vertical tropospheric column densities (VTCs) retrieved from the Global Ozone Monitoring Experiment (GOME) are compared to coincident ground-based tropospheric NO2 columns. The ground-based columns are deduced from in situ measurements at different altitudes in the Alps for 1997 to June 2003, yielding a unique long-term comparison of GOME NO2 VTC data retrieved by a collaboration of KNMI (Royal Netherlands Meteorological Institute) and BIRA/IASB (Belgian Institute for Space Aeronomy) with independently derived tropospheric NO2 profiles. A first comparison relates the GOME retrieved tropospheric columns to the tropospheric columns obtained by integrating the ground-based NO2 measurements. For a second comparison, the tropospheric profiles constructed from the ground-based measurements are first multiplied with the averaging kernel (AK) of the GOME retrieval. The second approach makes the comparison independent from the a priori NO2 profile used in the GOME retrieval. This allows splitting the total difference between the column data sets into two contributions: one that is due to differences between the a priori and the ground-based NO2 profile shapes, and another that can be attributed to uncertainties in both the remaining retrieval parameters (such as, e.g., surface albedo or aerosol concentration) and the ground-based in situ NO2 profiles. For anticyclonic clear sky conditions the comparison indicates a good agreement between the columns (n=157, R=0.70/0.74 for the first/second comparison approach, respectively). The mean relative difference (with respect to the ground-based columns) is -7% with a standard deviation of 40% and GOME on average slightly underestimating the ground-based columns. Both data sets show a similar seasonal behaviour with a distinct maximum of spring NO2 VTCs. Further analysis indicates small GOME columns being systematically smaller than the ground-based ones. The influence of different shapes in the a priori and

  8. Regulation of Electrochemically Generated H2O2 in Situ from a Novel CB-PTFE Cathode for Transformation of Chlorine Benzene in Groundwater

    NASA Astrophysics Data System (ADS)

    Jiang, J.; Zhang, X.; Li, G.

    2014-12-01

    Fenton's reagents (H2O2 and Fe2+ catalyst commonly) have been widely used in soil and groundwater remediation. But the excessive H2O2 decomposition and the pH modification (acidification) problem have been limitations for Fenton based remediation strategies. The Electro-Fenton (E- Fenton) processes has been recently developed to solve the problems, in which Fe2+ or H2O2are generated in situ as continuing source of Fenton's reagents. In this study, a novel CB-PTFE cathode and a Fe cathode were employed to generate H2O2 and Fe2+ in situ simultaneously. The generated reactive oxidizing species, i.e., O2,H2O2 and hydroxyl radical (HO•), oxidized bio-refractory organics to nontoxic matters in groundwater. Automatic pH adjustments are achieved by appropriately arraying the electrodes. Laboratory batch tests and column tests for the E-Fenton oxidation and hybrid electrolysis system were conducted to evaluate the transformation efficiency of chlorine benzene. Results from batch experiments suggested the CB-PTFE cathode was effective for reducing O2 to H2O2. The H2O2 concentration reached 468 mg/L under the condition of pH 3.0 and 30mA/cm2 in 60 minutes, which was 5 and 10 times of that with a graphite and C-felt cathode. The removal efficiency of chlorine benzene reached 80% in 20 minutes. Both chlorine benzene degradation and H2O2 production increased with decreasing solution pH and increasing current density. The results from the columns tests proved that the in situ E-Fenton system is a feasible method for groundwater remediation.

  9. A New, Large-scale Map of Interstellar Reddening Derived from H I Emission

    NASA Astrophysics Data System (ADS)

    Lenz, Daniel; Hensley, Brandon S.; Doré, Olivier

    2017-09-01

    We present a new map of interstellar reddening, covering the 39% of the sky with low H I column densities ({N}{{H}{{I}}}< 4× {10}20 cm-2 or E(B-V)≈ 45 mmag) at 16\\buildrel{ \\prime}\\over{.} 1 resolution, based on all-sky observations of Galactic H I emission by the HI4PI Survey. In this low-column-density regime, we derive a characteristic value of {N}{{H}{{I}}}/E(B-V)=8.8 × {10}21 {{cm}}2 {{mag}}-1 for gas with | {v}{LSR}| < 90 km s-1 and find no significant reddening associated with gas at higher velocities. We compare our H I-based reddening map with the Schlegel et al. (SFD) reddening map and find them consistent to within a scatter of ≃ 5 mmag. Further, the differences between our map and the SFD map are in excellent agreement with the low-resolution (4\\buildrel{\\circ}\\over{.} 5) corrections to the SFD map derived by Peek and Graves based on observed reddening toward passive galaxies. We therefore argue that our H I-based map provides the most accurate interstellar reddening estimates in the low-column-density regime to date. Our reddening map is made publicly available at doi.org/10.7910/DVN/AFJNWJ.

  10. (MnH9)2- salts with high hydrogen contents and unusual bonding: Density functional calculations

    NASA Astrophysics Data System (ADS)

    Gupta, Michèle; Gupta, Raju P.; Singh, D. J.

    2009-12-01

    The compounds BaReH9 and K2ReH9 are the prototypical members of a family of hydrides described as salts of (ReH9)2- anions. The structures reflect highly unusual chemistry with short H-H distances and at the same time very high ninefold coordination of Re by hydrogen atoms. This is of interest because of the resulting high hydrogen-to-metal ratios, 4.5 in BaReH9 and 3 in K2ReH9 . Here we use density functional calculations to investigate possible new members of this family including both Re and Mn compounds. We find that although SrReH9 and CaReH9 have not been synthesized these are very likely to be stable compounds that may be prepared in a similar manner as the Ba analog. We also find that the manganese counterparts, including K2MnH9 , are also likely to be stable and have thermodynamic properties consistent with requirements for hydrogen storage.

  11. Detection of interstellar ethylene oxide (c-C2H4O).

    PubMed

    Dickens, J E; Irvine, W M; Ohishi, M; Ikeda, M; Ishikawa, S; Nummelin, A; Hjalmarson, A

    1997-11-10

    We report the identification of 10 transitions that support the detection of the small cyclic molecule ethylene oxide (c-C2H4O) in Sgr B2N. Although one of these transitions is severely blended, so that an accurate intensity and line width could not be determined, and two other lines are only marginally detected, we have done Gaussian fits to the remaining seven lines and have performed a rotation diagram analysis. Our results indicate a rotation temperature T(rot) = 18 K and a molecular column density N(c-C2H4O) = 3.3 x 10(14) cm-2, corresponding to a fractional abundance relative to molecular hydrogen of order 6 x 10(-11). This is a factor of more than 200 higher than the abundance for this molecule suggested by the "new standard" chemistry model of Lee, Bettens, & Herbst. This result suggests that grain chemistry might play an effective role in the production of c-C2H4O. No transitions of this molecule were detected in either Sgr B2M or Sgr B2NW.

  12. The CH2O column as a possible constraint on methane oxidation

    NASA Astrophysics Data System (ADS)

    Valin, L. C.; Fiore, A. M.; Lin, M.

    2013-12-01

    We explore the potential for space-based measurements of the CH2O column to quantify variations of methane oxidation in the remote atmosphere due to changes in climate (e.g., T, H2O, stratospheric O3) and atmospheric composition (e.g., NOxO, O3, CO, CH4). We investigate the variability of methane oxidation and the formaldehyde column using available global simulations (MOZART-2 chemistry-transport model, GFDL AM3 climate-chemistry model). Over a large region (135° - 175° W; 0° - 16° S), the rate of methane oxidation simulated in the models varies intraseasonally (×10%), seasonally (×20%) and interannually (×5%), and is well correlated with the simulated variability of the CH2O column (R2 = 0.75; ~1x1015 molecules cm-2). The precision of a single space-based measurement is approximately 1×1016 molecules cm-2, an order of magnitude larger than the simulated variability of the CH2O column. However, in a large region such as the tropical Pacific, UV/Vis spectrometers are capable of making thousands of measurements daily, enough sampling to theoretically increase the precision by √N, such that variations on the order of 1×1015 molecules cm-2 should be observable on intraseasonal and interannual timescales.

  13. Shell and small particles; evaluation of new column technology.

    PubMed

    Fekete, Szabolcs; Fekete, Jeno; Ganzler, Katalin

    2009-01-15

    The performance of 5 cm long columns packed with shell particles was compared to totally porous sub-2 microm particles in gradient and isocratic elution separations of hormones (dienogest, finasteride, gestodene, levonorgestrel, estradiol, ethinylestradiol, noretistherone acetate, bicalutamide and tibolone). Peak capacities around 140-150 could be achieved in 25 min with the 5 cm long columns. The Ascentis Express column (packed with 2.7 microm shell particles) showed similar efficiency to sub-2 microm particles under gradient conditions. Applying isocratic separation, the column of 2.7 microm shell particles had a reduced plate height minimum of approximately h=1.6. It was much smaller than obtained with totally porous particles (h approximately = 2.8). The impedance time also proved more favorable with 2.7 microm shell particles than with totally porous particles. The influence of extra-column volume on column efficiency was investigated. The extra-column dispersion of the chromatographic system may cause a shift of the HETP curves.

  14. Repeatability of the efficiency of columns packed with sub-3μm core-shell particles: Part III. 2.7μm Poroshell 120 EC-C18 particles in 4.6mm and 2.1mm × 100mm column formats.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2012-08-24

    As part of an investigation of the column-to-column repeatability of the efficiency of columns packed with sub-3μm shell particles, the parameters of the mass transfer kinetics of twelve columns packed with the same batch of 2.7μm Poroshell 120 EC-C(18) particles (Agilent Technologies, Little Fall, DE, USA) were sequentially measured, using columns provided by the manufacturers that were representative of the efficiency distribution given by the quality test control. The reduced longitudinal diffusion term (B) was measured using the peak parking (PP) method; the reduced solid-liquid mass transfer resistance term (C) was given by a combination of the PP results and the most accurate model of effective diffusion in ternary composite materials. The overall eddy diffusion term (A) was obtained by subtraction of these two HETP terms from the overall reduced HETP derived from the peak moments measured by numerical integration of the entire peak profiles. The results demonstrate that the dispersion of the column efficiencies is a result of the random nature of the packing process and the eddy diffusion term resulting from the lack of homogeneity of the column bed. At the highest reduced velocity achieved for small analytes, the relative standard deviations (RSD) of the eddy diffusion term for the 2.1mm I.D. columns were ca. 3 and 11% (with average values h(eddy)= 2.5 and 13.5) for naphthalene (k=3) and uracil (k=0), respectively. For the 4.6mm I.D. columns, these RSDs were 5 and 13%, respectively, with average values h(eddy)= 1.4 and 2.9. For insulin at reduced velocities as high as 160, the RSDs of the total reduced plate heights were 3 and 8% for the 2.1 and 4.6mm I.D. columns, respectively. Copyright © 2012 Elsevier B.V. All rights reserved.

  15. X-ray Luminosity and Absorption Column Fluctuations in the H2O Maser Galaxy NGC 4258 from Weeks to Years

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Argon, A.

    2004-07-30

    The authors report monitoring of the 0.3-10 keV spectrum of NGC 4258 with the XMM-Newton observatory at five epochs over 1.5 years. They also report reprocessing of an overlapping four epoch series of archival Chandra observations (0.5-10 keV). By including earlier ASCA and Beppo-SAX observations, they present a new, nine year time-series of models fit to the X-ray spectrum of NGC 4258. They model the Chandra and XMM-Newton data self-consistently with partially absorbed, hard power-law, soft thermal plasma, and soft power-law components. Over the nine years, the photo-electric absorbing column ({approx} 10{sup 23} cm{sup -2}) did not vary detectably, exceptmore » for a {approx} 40% drop between two ASCA epochs separated by 3 years (in 1993 and 1996) and a {approx} 60% rise between two XMM-Newton epochs separated by just 5 months (in 2001 and 2002). In contrast, factor of 2-3 changes are seen in absorbed flux on the timescale of years. These are uncorrelated with changes in absorbing column and indicative of central engine variability. The most rapid change in luminosity (5-10 keV) that the authors detect (with XMM-Newton and Chandra) is on the order of 30% over 19 days. The warped disk that is a known source of H{sub 2}O maser emission in NGC 4258 is believed to cross the line of sight to the central engine. They propose that the variations in absorbing column arise from inhomogeneities in the rotating disk, as they sweep across the line of sight. They estimate that the inhomogeneities are {approx} 10{sup 15} cm in size.« less

  16. ORION’S VEIL. IV. H{sub 2} EXCITATION AND GEOMETRY

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Abel, N. P.; Ferland, G. J.; Troland, T. H.

    2016-03-10

    The foreground Veil of material that lies in front of the Orion Nebula is the best studied sample of the interstellar medium because we know where it is located, how it is illuminated, and the balance of thermal and magnetic energy. In this work, we present high-resolution STIS observations toward the Trapezium, with the goal of better understanding the chemistry and geometry of the two primary Veil layers, along with ionized gas along the line of sight. The most complete characterization of the rotational/vibrational column densities of H{sub 2} in the almost purely atomic components of the Veil are presented,more » including updates to the Cloudy model for H{sub 2} formation on grain surfaces. The observed H{sub 2} is found to correlate almost exclusively with Component B. The observed H{sub 2}, observations of CI, CI*, and CI**, and theoretical calculations using Cloudy allow us to place the tightest constraints yet on the distance, density, temperature, and other physical characteristics for each cloud component. We find the H{sub 2} excitation spectrum observed in the Veil is incompatible with a recent study that argued that the Veil was quite close to the Trapezium. The nature of a layer of ionized gas lying between the Veil and the Trapezium is characterized through the emission and absorption lines it produces, which we find to be the blueshifted component observed in S iii and P iii absorption. We deduce that, within the next 30–60 thousand years, the blueshifted ionized layer and Component B will merge, which will subsequently merge with Component A in the next one million years.« less

  17. Meridional Variations of C2H2 and C2H6 in Jupiter's Atmosphere from Cassini CIRS Infrared Spectra

    NASA Technical Reports Server (NTRS)

    Nixon, C. A.; Achterberg, R. K.; Conrath, B. J.; Irwin, P. G. J.; Fouchet, T.; Parrish, P. D.; Abbas, M.; LeClaire, A.; Romani, P. N.; Simon-Miller, A. A.

    2004-01-01

    The abundances of hydrocarbons such as acetylene (C2H2) and ethane (C2H6) in Jupiter's atmosphere are important physical quantities, constraining our models of the chemical and dynamical processes. However, our knowledge of these quantities and their vertical and latitudinal variations has remained sparse. The flyby of the Cassini spacecraft with Jupiter at the end of 2000 provided an excellent opportunity to observe the infrared spectrum with the Composite Infrared Spectrometer (CIRS) instrument, mapping the spatial variation of emissions from 10-1400 cm-1. CIRS spectra taken at the highest resolution (0.5 cm-1) in early December 2000 have been analysed to infer atmospheric temperatures in the stratosphere at 0.5-20 mbar via the v4 of CH4, and in the troposphere at 100-400 mbar, via the hydrogen collision-induced continuum absorption at 600-800 cm. Simultaneously, we have searched for meridional abundance variations in C2H2 and C2H6 via the v5 and vg bands respectively. Tropospheric absorption and stratospheric emission are highly anti-correlated at the CIM resolution, introducing a non-uniqueness into the retrievals, which means that vertical gradient and column abundance cannot be simultaneously found without additional constraints. If we assume the profile shapes from photochemical model calculations, we show that the column abundance of C2H2 must decrease sharply towards the poles, while C2H6 is constant or slightly increasing. The relevance of these results to current photochemical and dynamical knowledge of Jupiter's atmosphere is discussed.

  18. Ozone column density determination from direct irradiance measurements in the ultraviolet performed by a four-channel precision filter radiometer.

    PubMed

    Ingold, T; Mätzler, C; Wehrli, C; Heimo, A; Kämpfer, N; Philipona, R

    2001-04-20

    Ultraviolet light was measured at four channels (305, 311, 318, and 332 nm) with a precision filter radiometer (UV-PFR) at Arosa, Switzerland (46.78 degrees , 9.68 degrees , 1850 m above sea level), within the instrument trial phase of a cooperative venture of the Swiss Meteorological Institute (MeteoSwiss) and the Physikalisch-Meteorologisches Observatorium Davos/World Radiation Center. We retrieved ozone-column density data from these direct relative irradiance measurements by adapting the Dobson standard method for all possible single-difference wavelength pairs and one double-difference pair (305/311 and 305/318) under conditions of cloud-free sky and of thin clouds (cloud optical depth <2.5 at 500 nm). All UV-PFR retrievals exhibited excellent agreement with those of collocated Dobson and Brewer spectrophotometers for data obtained during two months in 1999. Combining the results of the error analysis and the findings of the validation, we propose to retrieve ozone-column density by using the 305/311 single difference pair and the double-difference pair. Furthermore, combining both retrievals by building the ratio of ozone-column density yields information that is relevant to data quality control. Estimates of the 305/311 pair agree with measurements by the Dobson and Brewer instruments within 1% for both the mean and the standard deviation of the differences. For the double pair these values are in a range up to 1.6%. However, this pair is less sensitive to model errors. The retrieval performance is also consistent with satellite-based data from the Earth Probe Total Ozone Mapping Spectrometer (EP-TOMS) and the Global Ozone Monitoring Experiment instrument (GOME).

  19. Ozone Column Density Determination From Direct Irradiance Measurements in the Ultraviolet Performed by a Four-Channel Precision Filter Radiometer

    NASA Astrophysics Data System (ADS)

    Ingold, Thomas; Mätzler, Christian; Wehrli, Christoph; Heimo, Alain; Kämpfer, Niklaus; Philipona, Rolf

    2001-04-01

    Ultraviolet light was measured at four channels (305, 311, 318, and 332 nm) with a precision filter radiometer (UV-PFR) at Arosa, Switzerland (46.78 , 9.68 , 1850 m above sea level), within the instrument trial phase of a cooperative venture of the Swiss Meteorological Institute (MeteoSwiss) and the Physikalisch-Meteorologisches Observatorium Davos /World Radiation Center. We retrieved ozone-column density data from these direct relative irradiance measurements by adapting the Dobson standard method for all possible single-difference wavelength pairs and one double-difference pair (305 /311 and 305 /318) under conditions of cloud-free sky and of thin clouds (cloud optical depth <2.5 at 500 nm). All UV-PFR retrievals exhibited excellent agreement with those of collocated Dobson and Brewer spectrophotometers for data obtained during two months in 1999. Combining the results of the error analysis and the findings of the validation, we propose to retrieve ozone-column density by using the 305 /311 single difference pair and the double-difference pair. Furthermore, combining both retrievals by building the ratio of ozone-column density yields information that is relevant to data quality control. Estimates of the 305 /311 pair agree with measurements by the Dobson and Brewer instruments within 1% for both the mean and the standard deviation of the differences. For the double pair these values are in a range up to 1.6%. However, this pair is less sensitive to model errors. The retrieval performance is also consistent with satellite-based data from the Earth Probe Total Ozone Mapping Spectrometer (EP-TOMS) and the Global Ozone Monitoring Experiment instrument (GOME).

  20. Advanced IMCW Lidar Techniques for ASCENDS CO2 Column Measurements

    NASA Astrophysics Data System (ADS)

    Campbell, Joel; lin, bing; nehrir, amin; harrison, fenton; obland, michael

    2015-04-01

    Global atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity-Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud contamination. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating the need to correct for sidelobe bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These results are extended to include Richardson-Lucy deconvolution techniques to extend the resolution of the lidar beyond that implied by limit of the bandwidth of the modulation.

  1. Herschel/HIFI spectral line survey of the Orion Bar. Temperature and density differentiation near the PDR surface

    NASA Astrophysics Data System (ADS)

    Nagy, Z.; Choi, Y.; Ossenkopf-Okada, V.; van der Tak, F. F. S.; Bergin, E. A.; Gerin, M.; Joblin, C.; Röllig, M.; Simon, R.; Stutzki, J.

    2017-03-01

    Context. Photon dominated regions (PDRs) are interfaces between the mainly ionized and mainly molecular material around young massive stars. Analysis of the physical and chemical structure of such regions traces the impact of far-ultraviolet radiation of young massive stars on their environment. Aims: We present results on the physical and chemical structure of the prototypical high UV-illumination edge-on Orion Bar PDR from an unbiased spectral line survey with a wide spectral coverage which includes lines of many important gas coolants such as [Cii], [Ci], and CO and other key molecules such as H2CO, H2O, HCN, HCO+, and SO. Methods: A spectral scan from 480-1250 GHz and 1410-1910 GHz at 1.1 MHz resolution was obtained by the HIFI instrument on board the Herschel Space Observatory. We obtained physical parameters for the observed molecules. For molecules with multiple transitions we used rotational diagrams to obtain excitation temperatures and column densities. For species with a single detected transition we used an optically thin LTE approximation. In the case of species with available collisional rates, we also performed a non-LTE analysis to obtain kinetic temperatures, H2 volume densities, and column densities. Results: About 120 lines corresponding to 29 molecules (including isotopologues) have been detected in the Herschel/HIFI line survey, including 11 transitions of CO, 7 transitions of 13CO, 6 transitions of C18O, 10 transitions of H2CO, and 6 transitions of H2O. The rotational temperatures are in the range between 22 and 146 K and the column densities are in the range between 1.8 × 1012 cm-2 and 4.5 × 1017 cm-2. For species with at least three detected transitions and available collisional excitation rates we derived a best fit kinetic temperature and H2 volume density. Most species trace kinetic temperatures in the range between 100 and 150 K and H2 volume densities in the range between 105 and 106 cm-3. The species with temperatures and

  2. Ionization compression impact on dense gas distribution and star formation. Probability density functions around H II regions as seen by Herschel

    NASA Astrophysics Data System (ADS)

    Tremblin, P.; Schneider, N.; Minier, V.; Didelon, P.; Hill, T.; Anderson, L. D.; Motte, F.; Zavagno, A.; André, Ph.; Arzoumanian, D.; Audit, E.; Benedettini, M.; Bontemps, S.; Csengeri, T.; Di Francesco, J.; Giannini, T.; Hennemann, M.; Nguyen Luong, Q.; Marston, A. P.; Peretto, N.; Rivera-Ingraham, A.; Russeil, D.; Rygl, K. L. J.; Spinoglio, L.; White, G. J.

    2014-04-01

    Aims: Ionization feedback should impact the probability distribution function (PDF) of the column density of cold dust around the ionized gas. We aim to quantify this effect and discuss its potential link to the core and initial mass function (CMF/IMF). Methods: We used Herschel column density maps of several regions observed within the HOBYS key program in a systematic way: M 16, the Rosette and Vela C molecular clouds, and the RCW 120 H ii region. We computed the PDFs in concentric disks around the main ionizing sources, determined their properties, and discuss the effect of ionization pressure on the distribution of the column density. Results: We fitted the column density PDFs of all clouds with two lognormal distributions, since they present a "double-peak" or an enlarged shape in the PDF. Our interpretation is that the lowest part of the column density distribution describes the turbulent molecular gas, while the second peak corresponds to a compression zone induced by the expansion of the ionized gas into the turbulent molecular cloud. Such a double peak is not visible for all clouds associated with ionization fronts, but it depends on the relative importance of ionization pressure and turbulent ram pressure. A power-law tail is present for higher column densities, which are generally ascribed to the effect of gravity. The condensations at the edge of the ionized gas have a steep compressed radial profile, sometimes recognizable in the flattening of the power-law tail. This could lead to an unambiguous criterion that is able to disentangle triggered star formation from pre-existing star formation. Conclusions: In the context of the gravo-turbulent scenario for the origin of the CMF/IMF, the double-peaked or enlarged shape of the PDF may affect the formation of objects at both the low-mass and the high-mass ends of the CMF/IMF. In particular, a broader PDF is required by the gravo-turbulent scenario to fit the IMF properly with a reasonable initial Mach

  3. Interstellar C2, CH, and CN in translucent molecular clouds

    NASA Technical Reports Server (NTRS)

    Black, John H.; Van Dishoeck, Ewine F.

    1989-01-01

    Optical absorption-line techniques have been applied to the study of a number of translucent molecular clouds in which the total column densities are large enough that substantial molecular abundances can be maintained. Results are presented for a survey of absorption lines of interstellar C2, CH, and CN. Detections of CN through the A 2Pi-X 2Sigma(+) (1,O) and (2,O) bands of the red system are reported and compared with observations of the violet system for one line of sight. The population distributions in C2 provide diagnostic information on temperature and density. The measured column densities of the three species can be used to test details of the theory of molecule formation in clouds where photoprocesses still play a significant role. The C2 and CH column densities are strongly correlated with each other and probably also with the H2 column density. In contrast, the CN column densities are found to vary greatly from cloud to cloud. The observations are discussed with reference to detailed theoretical models.

  4. Ab initio and density functional study on the mechanism of the C2H2++methanol reaction

    NASA Astrophysics Data System (ADS)

    Irle, Stephan; Morokuma, Keiji

    1999-09-01

    High level ab initio (G2MS and CASSCF) and density functional (B3LYP) calculations were carried out to study the mechanism of the ion-molecule reaction C2H2++CH3OH for four reaction channels: hydride abstraction from methanol (HA), proton transfer from acetylene cation (PT), charge transfer (CT), and covalent complex formation (CC) channel. For the CT channel, two pathways have been found: a usual nonadiabatic pathway via A'/A″ seam of crossing, and a low-energy adiabatic pathway through an initial intermediate; the latter may be the dominant process with favorable energies and a large impact parameter. The HA process involves a low-energy direct intermediate and a very low barrier to form C2H3+CH2OH+ and is also energetically favorable. The PT processes require passage over a high-energy transition state (TS) and are not important. One of the experimentally unobserved CC channels, formation of the COCC skeleton, is energetically favorable and there is no energetic reason for it not to take place; a "dynamic bottleneck" argument may have to be invoked to explain the experiment. The increase in reaction efficiency with the C-C stretch excitation may be justified by considering the TSs for two CT pathways, where the C-C distance changed substantially from that in the reactant C2H2+. Very qualitatively, the C2H2++CH3OH potential energy surface looks more like that of the C2H2++NH3 system than the C2H2++CH4 system, because of the differences in the ionization potentials: NH3˜CH3OH2H2

  5. Production of B atoms and BH radicals from B2H6/He/H2 mixtures activated on heated W wires.

    PubMed

    Umemoto, Hironobu; Kanemitsu, Taijiro; Tanaka, Akihito

    2014-07-17

    B atoms and BH radicals could be identified by laser-induced fluorescence when B2H6/He/H2 mixtures were activated on heated tungsten wires. The densities of these radical species increased not only with the wire temperature but also with the partial pressure of H2. The densities in the presence of 0.026 Pa of B2H6 and 2.6 Pa of H2 were on the order of 10(11) cm(-3) both for B and BH when the wire temperature was 2000 K. Densities in the absence of a H2 flow were much smaller, suggesting that the direct production of these species on wire surfaces is minor. B and BH must be produced in the H atom shifting reactions, BH(x) + H → BH(x-1) + H2 (x = 1-3), in the gas phase, while H atoms are produced from H2 on wire surfaces. The B atom density increased monotonously with the H atom density, while the BH density showed saturation. These tendencies could be reproduced by simple modeling based on ab initio potential energy calculations and the transition-state theoretical calculations of the rate constants. The absolute densities could also be reproduced within a factor of 2.5.

  6. Proline-coated column for the capillary electrochromatographic separation of amino acids by in-column derivatization.

    PubMed

    Lin, Chun-Chi; Liu, Chuen-Ying

    2004-10-01

    With 3-trimethoxysilylpropyl chloride as the spacer, a proline-coated capillary column was prepared for the capillary electrochromatographic (CEC) separation of amino acids by in-column derivatization. Nine standard mixtures, including aspartic acid, glutamic acid, valine, phenylalanine, alanine, isoleucine, leucine, tyrosine, and tryptophan, were injected. o-Phthalaldehyde (OPA), OPA/2-mercaptoethanol (2-ME) and OPA/N-acetylcysteine (NAC) in borate buffer were tested as the derivatizing agent. Among them, OPA (50 mM) in borate buffer (pH 9.5, 50 mM) gave the best performance. The formation of isoindole could be detected by UV detection. The sandwich-type injection was carried out in hydrostatic mode (10 cm) with the program R(10 s)S(10 s) R(10 s)W(10 min) with R, S, and W being the reagent, sample, and waiting times. Mesityl oxide, benzyl alcohol, and acetone showed some interaction with the column. A current monitoring method was used instead of the determination of the electroosmotic flow (EOF). The direction of EOF was from anode to cathode even under acidic condition lower than the pI value (6.31) of the bonded group due to some unreacted silanol groups. Some parameters including pH, nature, and concentration of the mobile phase and the effect of organic modifier with regard to the CEC separation were investigated. With the proline-coated column (75 (50) cm x 75 microm ID) the best separation was performed in phosphate buffer (pH 4.00, 100 mM) with an applied voltage of -15 kV. The established method was also compared with those precolumn derivatized prior to the separation with proline-coated column as well as with in-capillary derivatization and separation with a bare fused-silica column. Copyright 2004 WILEY-VCH Verlag GmbH & Co.

  7. Long Carbon Chains in the Warm Carbon-chain-chemistry Source L1527: First Detection of C7H in Molecular Clouds

    NASA Astrophysics Data System (ADS)

    Araki, Mitsunori; Takano, Shuro; Sakai, Nami; Yamamoto, Satoshi; Oyama, Takahiro; Kuze, Nobuhiko; Tsukiyama, Koichi

    2017-09-01

    Long carbon-chain molecules were searched for toward the low-mass star-forming region L1527, which is a prototypical source of warm carbon-chain chemistry (WCCC), using the 100 m Green Bank Telescope. Long carbon-chain molecules, C7H (2Π1/2), C6H (2Π3/2 and 2Π1/2), CH3C4H, and C6H2 (cumulene carbene, CCCCCCH2), and cyclic species of C3H and C3H2O were detected. In particular, C7H was detected for the first time in molecular clouds. The column density of C7H is determined to be 6 × 1010 cm-2. The column densities of the carbon-chain molecules including CH3C4H and C6H in L1527 relative to those in the starless dark cloud Taurus Molecular Cloud-1 Cyanopolyyne Peak (TMC-1 CP) tend to be systematically lower for long carbon-chain lengths. However, the column densities of C7H and C6H2 do not follow this trend and are found to be relatively abundant in L1527. This result implies that these long carbon-chain molecules are remnants of the cold starless phase. The results—that both the remnants and WCCC products are observed toward L1527—are consistent with the suggestion that the protostar can also be born in the parent core at a relatively early stage in the chemical evolution.

  8. Hydrodynamic flow in capillary-channel fiber columns for liquid chromatography.

    PubMed

    Stanelle, Rayman D; Sander, Lane C; Marcus, R Kenneth

    2005-12-23

    The flow characteristics of capillary-channel polymer (C-CP) fiber liquid chromatographic (LC) columns have been investigated. The C-CP fibers are manufactured with eight longitudinal grooves (capillary channels) extending the length of the fibers. Three C-CP fiber examples were studied, with fiber dimensions ranging from approximately 35 microm to 65 microm, and capillary-channel dimensions ranging from approximately 6 microm to 35 microm. The influence of fiber packing density and column inner diameter on peak asymmetry, peak width, and run-to-run reproducibility have been studied for stainless steel LC columns packed with polyester (PET) and polypropylene (PP) C-CP fibers. The van Deemter A-term was evaluated as a function of fiber packing density (approximately 0.3 g/cm(3)-0.75 g/cm(3)) for columns of 4.6 mm inner diameter (i.d.) and at constant packing densities for 1.5 mm, 3.2 mm, 4.6 mm, and 7.7 mm i.d. columns. Although column diameter had little influence on the eluting peak widths, peak asymmetry increased with increasing column diameter. The A-terms for the C-CP fiber packed columns are somewhat larger than current commercial, microparticulate-packed columns, and means for improvement are discussed. Applications in the area of protein (macromolecule) separations appear the most promising at this stage of the system development.

  9. Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H - TaS 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhao, J.; Wijayaratne, K.; Butler, A.

    We report an in-depth angle-resolved photoemission spectroscopy study on 2H-TaS2, a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2H-TaSe2 and 2H-NbSe2, the energy gap (triangle(CDW)) of 2H-TaS2 is localized along the K-centered Fermi surface barrels and is particle-hole asymmetric. The persistence of triangle(CDW) even at temperatures higher than the CDW transition temperature T-CDW in 2H-TaS2, reflects the similar pseudogap behavior observed previously in 2H-TaSe2 and 2H-NbSe2. However, in sharp contrast to 2H-NbSe2, where triangle(CDW) is nonzero only in the vicinity of a few "hot spots" on the innerK-centered Fermimore » surface barrels, triangle(CDW) in 2H-TaS2 is nonzero along the entirety of both K-centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of triangle(CDW) between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.« less

  10. Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2 H -TaS2

    NASA Astrophysics Data System (ADS)

    Zhao, J.; Wijayaratne, K.; Butler, A.; Yang, J.; Malliakas, C. D.; Chung, D. Y.; Louca, D.; Kanatzidis, M. G.; van Wezel, J.; Chatterjee, U.

    2017-09-01

    We report an in-depth angle-resolved photoemission spectroscopy study on 2 H -TaS2 , a canonical incommensurate charge density wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, 2 H -TaSe2 and 2 H -NbSe2 , the energy gap (ΔCDW) of 2 H -TaS2 is localized along the K -centered Fermi surface barrels and is particle-hole asymmetric. The persistence of ΔCDW even at temperatures higher than the CDW transition temperature TCDW in 2 H -TaS2 , reflects the similar pseudogap behavior observed previously in 2 H -TaSe2 and 2 H -NbSe2 . However, in sharp contrast to 2 H -NbSe2 , where ΔCDW is nonzero only in the vicinity of a few "hot spots" on the inner K -centered Fermi surface barrels, ΔCDW in 2 H -TaS2 is nonzero along the entirety of both K -centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of ΔCDW between otherwise similar CDW compounds to the different orbital orientations of their electronic states that participate in the CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.

  11. Satellite-observed NO2, SO2, and HCHO Vertical Column Densities in East Asia: Recent Changes and Comparisons with Regional Model

    NASA Astrophysics Data System (ADS)

    Kim, H. C.; Lee, P.; Kim, S.; Mok, J.; Yoo, H. L.; Bae, C.; Kim, B. U.; Lim, Y. K.; Woo, J. H.; Park, R.

    2015-12-01

    This study reports the recent changes in tropospheric NO2, SO2, and HCHO vertical column densities (VCD) in East Asia observed from multiple satellites, highlighting especially the annual trend changes of NO2 and SO2 over Beijing-Tianjin-Hebei (BTH) region of China since 2010. Tropospheric VCD data from Global Ozone Monitoring Experiment (GOME), SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY (SCIAMACHY), Ozone Monitoring Instrument (OMI) and GOME-2, retrieved from the Royal Netherlands Meteorological Institute (KNMI) and OMI National Aeronautics and Space Administration (NASA) standard products, are utilized to investigate the annual trends of NO2, SO2, and HCHO VCDs from 2001 to 2015. They are also compared with simulations from Community Multi-scale Air Quality Model (CMAQ) based forecast system by the Integrated Multi-scale Air Quality System for Korea (IMAQS-K) of Ajou University. Until 2011, the changes in NO2 VCD over East Asian countries agree well with the findings of previous research, including the impact of the economic downturn during 2008-2009 and the subsequent quick recovery in China. After peaking in 2011, the NO2 VCD observations from active instruments (OMI and GOME-2) over China started to show a slower decreasing trend, mostly led by the rapid changes in the BTH region in northern China. On the other hand, SO2 started to decline earlier, from 2007, but inclined back from 2010 to 2012, and then back to declining trend since 2012. While satellite observations show dramatic recent changes, the model could not reproduce those changes mostly due to its use of fixed emission inventory. We conclude that rapid update of latest emission inventory is necessary for an accurate forecast of regional air quality in east Asia, especially for upcoming international sports events in PyeongChang (Korea), Tokyo (Japan) and Beijing (China) in 2018, 2020 and 2022, respectively.

  12. Miniaturized Laser Heterodyne Radiometer for Measurements of CO2 in the Atmospheric Column

    NASA Technical Reports Server (NTRS)

    Wilson, E. L.; Mclinden, M. L.; Miller, J. H.; Allan, G. R.; Lott, L. E.; Melroy, H. R.; Clarke, G. B.

    2013-01-01

    We have developed a low-cost, miniaturized laser heterodyne radiometer for highly sensitive measurements of carbon dioxide (CO2) in the atmospheric column. In this passive design, sunlight that has undergone absorption by CO2 in the atmosphere is collected and mixed with continuous wave laser light that is step-scanned across the absorption feature centered at 1,573.6 nm. The resulting radio frequency beat signal is collected as a function of laser wavelength, from which the total column mole fraction can be de-convolved. We are expanding this technique to include methane (CH4) and carbon monoxide (CO), and with minor modifications, this technique can be expanded to include species such as water vapor (H2O) and nitrous oxide (N2O).

  13. Densities of Active species in N2/H2 RF and HF afterglows: application to surface nitriding of TiO2 nanocrystals

    NASA Astrophysics Data System (ADS)

    Ricard, André; Sarrette, Jean-Philippe; Wang, Yunfei; Kim, Yu-Kwon

    2017-10-01

    N2/0-5% H2 flowing afterglows from Radio Frequency (RF) and High Frequency (HF) sources have been analyzed by optical emission spectroscopy. In similar conditions (pressure 5-6 Torr, flow rate 0.5 slm and power 100 W), it is found in pure N2 a nearly constant N-atom density from the pink to the late afterglow, which is higher in HF than in RF: (1-2) and 0.4 × 1015 cm-3, respectively. With a N2/2% H2 gas mixture, the early afterglows is changed to a late afterglow with about the same N-atom density for both RF and HF cases: (8-9) × 1014 cm-3. Anatase TiO2 nanocrystals and Atomic Layer Deposition-grown films were exposed to the RF afterglows at room temperature. XPS analysis of the samples has shown that the highest N/Ti ratio of 0.24 can be achieved with the pure N2 late afterglow. In the HF pure N2 late afterglow, however, the N/Ti coverage was limited to 0.04 in spite of higher N-atom density. Such differences in the N content between the two RF and HF cases are attributed to the presence of a high O-atom impurity of 2 × 1013 cm-3 in HF as compared to that (8 × 1011 cm-3) in RF. Contribution to the topical issue "Plasma Sources and Plasma Processes (PSPP)", edited by Luis Lemos Alves, Thierry Belmonte and Tiberiu Minea

  14. CO2 Absorption from Biogas by Glycerol: Conducted in Semi-Batch Bubble Column

    NASA Astrophysics Data System (ADS)

    puji lestari, Pratiwi; Mindaryani, Aswati; Wirawan, S. K.

    2018-03-01

    Biogas is a renewable energy source that has been developed recently. The main contents of Biogas itself are Methane and carbon dioxide (CO2) where Methane is the main component of biogas with CO2 as the highest impurities. The quality of biogas depends on the CO2 content, the lower CO2 levels, the higher biogas quality. Absorption is one of the methods to reduce CO2 level. The selections of absorbent and appropriate operating parameters are important factors in the CO2 absorption from biogas. This study aimed to find out the design parameters for CO2 absorption using glycerol that represented by the overall mass transfer coefficient (KLa) and Henry’s constant (H). This study was conducted in semi-batch bubble column. Mixed gas was contacted with glycerol in a bubble column. The concentration of CO2 in the feed gas inlet and outlet columns were analysed by Gas Chromatograph. The variables observed in this study were superficial gas velocity and temperatures. The results showed that higher superficial gas velocity and lower temperature increased the rate of absorption process and the amount of CO2 absorbed.

  15. Teledyne H1RG, H2RG, and H4RG Noise Generator

    NASA Technical Reports Server (NTRS)

    Rauscher, Bernard J.

    2015-01-01

    This paper describes the near-infrared detector system noise generator (NG) that we wrote for the James Webb Space Telescope (JWST) Near Infrared Spectrograph (NIRSpec). NG simulates many important noise components including; (1) white "read noise", (2) residual bias drifts, (3) pink 1/f noise, (4) alternating column noise, and (5) picture frame noise. By adjusting the input parameters, NG can simulate noise for Teledyne's H1RG, H2RG, and H4RG detectors with and without Teledyne's SIDECAR ASIC IR array controller. NG can be used as a starting point for simulating astronomical scenes by adding dark current, scattered light, and astronomical sources into the results from NG. NG is written in Python-3.4.

  16. Low-Frequency Raman Modes of 2H-TaSe2 in the Charge Density Wave Phase

    NASA Astrophysics Data System (ADS)

    Chowdhury, Sugata; Simpson, J.; Einstein, T. L.; Hight Walker, A. R.; Theoretical Collaboration

    With changes in temperatures, tantalum diselenide (2H-TaSe2) , a layered, transition metal chalcogenides (TMD) exhibits unique super-lattice structures. The metallic ground state changes to an incommensurate charge density wave (CDW) state at 122?K followed by a commensurate CDW state at 90?K, and eventually a superconducting state 0.14 K. These phase transitions are driven by strong electron-phonon coupling and favored by the particular form of the Fermi surface of these systems. Here we theoretically studied the structural origin of low-frequency Raman modes of bulk 2H-TaSe2\\ in the CDW phases. Our calculations reveal that changes observed in the Raman modes are associated with the thermal expansion in the basal plane of 2H-TaSe2. The Grüneisen parameters of these two Raman modes increase in the CDW phases. Changes in the lattice parameter ``a'' are large compared to ``c'' which induces strain along the a-axis. We compared our results with experimental data which show low-frequency Raman phonon modes are very sensitive to temperature and are not observed in the metallic room-temperature state. In addition, we found that cation displacement is more than anion in CDW phase. Our results may shed more light on exact nature of the CDW instability and optical properties in this system.

  17. On the (Non)Evolution of H I Gas in Galaxies Over Cosmic Time

    NASA Astrophysics Data System (ADS)

    Prochaska, J. Xavier; Wolfe, Arthur M.

    2009-05-01

    We present new results on the frequency distribution of projected H I column densities f(N H I , X), total comoving covering fraction, and integrated mass densities ρH I of high-redshift, H I galactic gas from a survey of damped Lyα systems (DLAs) in the Sloan Digital Sky Survey, Data Release 5. For the full sample spanning z = 2.2-5 (738 DLAs), f(N H I , X) is well fitted by a double power law with a break column density Nd = 1021.55±0.04 cm-2 and low/high-end exponents α = -2.00 ± 0.05, - 6.4+1.1 -1.6. The shape of f(N H I , X) is invariant during this redshift interval and also follows the projected surface density distribution of present-day H I disks as inferred from 21 cm observations. We conclude that H I gas has been distributed in a self-similar fashion for the past 12 Gyr. The normalization of f(N H I , X), in contrast, decreases by a factor of 2 during the ≈2 Gyr interval from z = 4-2.2 with coincident decreases in both the total covering fraction and ρH I . At z ≈ 2, these quantities match the present-day values suggesting no evolution during the past ≈10 Gyr. We argue that the evolution at early times is driven by "violent" processes that removes gas from nearly half the galaxies at z ≈ 3 establishing the antecedents of current early-type galaxies. The perceived constancy of ρH I , meanwhile, implies that H I gas is a necessary but insufficient precondition for star formation and that the global star formation rate is driven by the accretion and condensation of fresh gas from the intergalactic medium.

  18. Spin temperature and density of cold and warm H I in the Galactic disk: Hidden H I

    NASA Astrophysics Data System (ADS)

    Sofue, Yoshiaki

    2018-05-01

    We present a method to determine the spin temperature TS and volume density n of H I gas simultaneously along the tangent-point circle of Galactic rotation in the Milky Way by using the χ2 method. The best-fit TS is shown to range either in TS ˜ 100-120 K or in 1000-3000 K, indicating that the gas is in the cold H I phase with high density and large optical depth, or in warm H I with low density and small optical depth. Averaged values at 3 ≤ R ≤ 8 kpc are obtained to be TS = 106.7 ± 16.0 K and n = 1.53 ± 0.86 H cm-3 for cold H I, and 1720 ± 1060 K and 0.38 ± 0.10 H cm-3 for warm H I, where R = 8 |sinl| kpc is the galacto-centric distance along the tangent-point circle. The cold H I appears in spiral arms and rings, whereas warm H I appears in the inter-arm regions. The cold H I is denser by a factor of ˜4 than warm H I. The present analysis has revealed the hidden H I mass in the cold and optically thick phase in the Galactic disk. The total H I mass inside the solar circle is shown to be greater by a factor of 2-2.5 than the current estimation by the optically thin assumption.

  19. Spin temperature and density of cold and warm H I in the Galactic disk: Hidden H I

    NASA Astrophysics Data System (ADS)

    Sofue, Yoshiaki

    2018-06-01

    We present a method to determine the spin temperature TS and volume density n of H I gas simultaneously along the tangent-point circle of Galactic rotation in the Milky Way by using the χ2 method. The best-fit TS is shown to range either in TS ˜ 100-120 K or in 1000-3000 K, indicating that the gas is in the cold H I phase with high density and large optical depth, or in warm H I with low density and small optical depth. Averaged values at 3 ≤ R ≤ 8 kpc are obtained to be TS = 106.7 ± 16.0 K and n = 1.53 ± 0.86 H cm-3 for cold H I, and 1720 ± 1060 K and 0.38 ± 0.10 H cm-3 for warm H I, where R = 8 |sinl| kpc is the galacto-centric distance along the tangent-point circle. The cold H I appears in spiral arms and rings, whereas warm H I appears in the inter-arm regions. The cold H I is denser by a factor of ˜4 than warm H I. The present analysis has revealed the hidden H I mass in the cold and optically thick phase in the Galactic disk. The total H I mass inside the solar circle is shown to be greater by a factor of 2-2.5 than the current estimation by the optically thin assumption.

  20. The interface of SrTiO3 and H2O from density functional theory molecular dynamics

    PubMed Central

    Spijker, P.; Foster, A. S.

    2016-01-01

    We use dispersion-corrected density functional theory molecular dynamics simulations to predict the ionic, electronic and vibrational properties of the SrTiO3/H2O solid–liquid interface. Approximately 50% of surface oxygens on the planar SrO termination are hydroxylated at all studied levels of water coverage, the corresponding number being 15% for the planar TiO2 termination and 5% on the stepped TiO2-terminated surface. The lateral ordering of the hydration structure is largely controlled by covalent-like surface cation to H2O bonding and surface corrugation. We find a featureless electronic density of states in and around the band gap energy region at the solid–liquid interface. The vibrational spectrum indicates redshifting of the O–H stretching band due to surface-to-liquid hydrogen bonding and blueshifting due to high-frequency stretching vibrations of OH fragments within the liquid, as well as strong suppression of the OH stretching band on the stepped surface. We find highly varying rates of proton transfer above different SrTiO3 surfaces, owing to differences in hydrogen bond strength and the degree of dissociation of incident water. Trends in proton dynamics and the mode of H2O adsorption among studied surfaces can be explained by the differential ionicity of the Ti–O and Sr–O bonds in the SrTiO3 crystal. PMID:27713660

  1. SMA OBSERVATIONS OF THE W3(OH) COMPLEX: PHYSICAL AND CHEMICAL DIFFERENTIATION BETWEEN W3(H{sub 2}O) AND W3(OH)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Qin, Sheng-Li; Schilke, Peter; Sánchez-Monge, Álvaro

    2015-04-10

    We report on the Submillimeter Array (SMA) observations of molecular lines at 270 GHz toward the W3(OH) and W3(H{sub 2}O) complex. Although previous observations already resolved the W3(H{sub 2}O) into two or three sub-components, the physical and chemical properties of the two sources are not well constrained. Our SMA observations clearly resolved the W3(OH) and W3(H{sub 2}O) continuum cores. Taking advantage of the line fitting tool XCLASS, we identified and modeled a rich molecular spectrum in this complex, including multiple CH{sub 3}CN and CH{sub 3}OH transitions in both cores. HDO, C{sub 2}H{sub 5}CN, O{sup 13}CS, and vibrationally excited lines ofmore » HCN, CH{sub 3}CN, and CH{sub 3}OCHO were only detected in W3(H{sub 2}O). We calculate gas temperatures and column densities for both cores. The results show that W3(H{sub 2}O) has higher gas temperatures and larger column densities than W3(OH) as previously observed, suggesting physical and chemical differences between the two cores. We compare the molecular abundances in W3(H{sub 2}O) to those in the Sgr B2(N) hot core, the Orion KL hot core, and the Orion Compact Ridge, and discuss the chemical origin of specific species. An east–west velocity gradient is seen in W3(H{sub 2}O), and the extension is consistent with the bipolar outflow orientation traced by water masers and radio jets. A north–south velocity gradient across W3(OH) is also observed. However, with current observations we cannot be assured whether the velocity gradients are caused by rotation, outflow, or radial velocity differences of the sub-components of W3(OH)« less

  2. Hydrogen density of states and defects densities in a-Si:H

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Deane, S.C.; Powell, M.J.; Robertson, J.

    1996-12-31

    The properties of hydrogenated amorphous silicon (a-Si:H) and its devices depend fundamentally on the density of states (DOS) in the gap due to dangling bonds. It is generally believed that the density of dangling bonds is controlled by a chemical equilibrium with the weak Si-Si bonds which form the localized valence band tail states. Further details are given of a unified model of the hydrogen density of states and defect pool of a-Si:H. The model is compared to other defect models and extended to describe a-Si alloys and the creation of valence band tail states during growth.

  3. Can H2CCC be the Carrier of Broad Diffuse Bands?

    NASA Astrophysics Data System (ADS)

    Krełowski, J.; Galazutdinov, G.; Kołos, R.

    2011-07-01

    The recent assignment of two broad diffuse interstellar bands (DIBs) near 4882 and 5450 Å to the propadienylidene (l-C3H2) molecule is examined using a statistically meaningful sample of targets. Our spectra clearly show that the strength ratio of two broad DIBs is strongly variable, contrary to what should be observed if both features are due to l-C3H2, since the proposed transitions are lifetime broadened and start from the same level. Moreover, even in directions where the 4882 DIB and 5450 DIB are strong, the third expected l-C3H2 band, in the 5165-5185 Å region, is absent. Another puzzling characteristic of l-C3H2 as the proposed carrier of both broad diffuse bands is its column density of several 1014 cm-2, inferred from the equivalent width of the 5450 DIB. This value is one order of magnitude higher than N(CH) toward the same objects and two to three orders of magnitude higher than N(H2CCC), measured at radio frequencies in absorption, for comparable samples of the diffuse medium. We conclude that the proposed identification of broad DIBs is unjustified. Based on observations collected at the European Organization for Astronomical Research in the Southern Hemisphere, Chile; programs 073.C-0337(A) and 082.C-0566(A).

  4. Electromigration induced high fraction of compound formation in SnAgCu flip chip solder joints with copper column

    NASA Astrophysics Data System (ADS)

    Xu, Luhua; Han, Jung-Kyu; Liang, Jarrett Jun; Tu, K. N.; Lai, Yi-Shao

    2008-06-01

    To overcome the effect of current crowding on electromigration-induced pancake-type void formation in flip chip solder joints, two types of Cu column in 90μm flip chip SnAgCu solder joints have been studied. They were (1) the solder contacts the Cu column at bottom and side walls and (2) the solder wets only the bottom surface of the copper column. With a current density of 1.6×104A/cm2 at 135°C, no failure was detected after 1290h. However, the resistance increased by about 10% due to the formation of a large fraction of intermetallic compounds. We found that electromigration has accelerated the consumption rate of copper column and converted almost the entire solder joint into intermetallic compound. Mechanically, drop impact test indicates a brittle fracture failure in the intermetallic. The electromigration critical product for the intermetallic is discussed.

  5. Rotational spectroscopy of isotopic vinyl cyanide, H2CCHCN, in the laboratory and in space

    NASA Astrophysics Data System (ADS)

    Müller, Holger S. P.; Belloche, Arnaud; Menten, Karl M.; Comito, Claudia; Schilke, Peter

    2008-09-01

    The rotational spectra of singly substituted 13C and 15N isotopic species of vinyl cyanide have been studied in natural abundances between 64 and 351 GHz. In combination with previous results, greatly improved spectroscopic parameters have been obtained which in turn helped to identify transitions of the 13C species for the first time in space through a molecular line survey of the extremely line-rich interstellar source Sagittarius B2(N) in the 3 mm region with some additional observations at 2 mm. The 13C species are detected in two compact (˜2.3″), hot (170 K) cores with a column density of ˜3.8×10 and 1.1×10cm, respectively. In the main source, the so-called “Large Molecule Heimat”, we derive an abundance of 2.9×10 for each 13C species relative to H2. An isotopic ratio 12C/13C of 21 has been measured. Based on a comparison to the column densities measured for the 13C species of ethyl cyanide also detected in this survey, it is suggested that the two hot cores of Sgr B2(N) are in different evolutionary stages. Supplementary laboratory data for the main isotopic species recorded between 92 and 342 GHz permitted an improvement of its spectroscopic parameters as well.

  6. Impacts of CO2 Leakage on a Shallow Aquifer System: Laboratory Column Experiments and Reactive Transport Modeling

    NASA Astrophysics Data System (ADS)

    Ha, Jong Heon; Jeen, Sung-Wook

    2017-04-01

    Groundwater quality change due to the leakage of CO2 in a shallow aquifer system is an important aspect of environmental impact assessment in a carbon dioxide capture and storage (CCS) site. This study evaluated geochemical changes in a shallow aquifer system resulting from leakage of CO2 through laboratory column experiments and reactive transport modeling. In the column experiments, two columns were set up and filled with the sediment from the Environmental Impact Test (EIT) facility of the Korea CO2 Storage Environmental Management (K-COSEM) Research Center. Groundwater, also collected form the EIT site, was purged with CO2 or Ar gases, and was pumped into the columns with the pumping rates of 200-1000 mL day-1 (0.124-0.62 m day-1). Profile and time-series effluent samplings were conducted to evaluate the spatial and temporal geochemical changes in the aquifer materials upon contact with CO2. The experimental results showed that after injecting CO2-purged groundwater, the pH was decreased, and alkalinity, electrical conductivity (EC) and concentrations of major cations were increased. The spatial and temporal geochemical changes from the column experiments indicate that dissolution of aquifer materials in contact with dissolved CO2 is the major contributor to the changes in groundwater geochemistry. The reactive transport modeling has been conducted to reproduce these geochemical changes in the aquifer system by incorporating dissolution of the dominant aluminosilicate minerals in the aquifer such as microcline, anorthite, albite, and biotite. This study suggests that pH, alkalinity, EC and concentrations of major cations are important monitoring parameters for detecting CO2 leakage in a shallow groundwater aquifer system.

  7. Comparisons of multilayer H2O adsorption onto the (110) surfaces of alpha-TiO2 and SnO2 as calculated with density functional theory.

    PubMed

    Bandura, Andrei V; Kubicki, James D; Sofo, Jorge O

    2008-09-18

    Mono- and bilayer adsorption of H2O molecules on TiO2 and SnO 2 (110) surfaces has been investigated using static planewave density functional theory (PW DFT) simulations. Potential energies and structures were calculated for the associative, mixed, and dissociative adsorption states. The DOS of the bare and hydrated surfaces has been used for the analysis of the difference between the H2O interaction with TiO2 and SnO 2 surfaces. The important role of the bridging oxygen in the H2O dissociation process is discussed. The influence of the second layer of H2O molecules on relaxation of the surface atoms was estimated.

  8. Tidal variability of CO2 and CH4 emissions from the water column within a Rhizophora mangrove forest (New Caledonia).

    PubMed

    Jacotot, Adrien; Marchand, Cyril; Allenbach, Michel

    2018-08-01

    We performed a preliminary study to quantify CO 2 and CH 4 emissions from the water column within a Rhizophora spp. mangrove forest. Mean CO 2 and CH 4 emissions during the studied period were 3.35±3.62mmolCm -2 h -1 and 18.30±27.72μmolCm -2 h -1 , respectively. CO 2 and CH 4 emissions were highly variable and mainly driven by tides (flow/ebb, water column thickness, neap/spring). Indeed, an inverse relationship between the magnitude of the emissions and the thickness of the water column above the mangrove soil was observed. δ 13 CO 2 values ranged from -26.88‰ to -8.6‰, suggesting a mixing between CO 2 -enriched pore waters and lagoon incoming waters. In addition, CO 2 and CH 4 emissions were significantly higher during ebb tides, mainly due to the progressive enrichment of the water column by diffusive fluxes as its residence time over the forest floor increased. Eventually, we observed higher CO 2 and CH 4 emissions during spring tides than during neap tides, combined to depleted δ 13 CO 2 values, suggesting a higher contribution of soil-produced gases to the emissions. These higher emissions may result from higher renewable of the electron acceptor and enhanced exchange surface between the soil and the water column. This study shows that CO 2 and CH 4 emissions from the water column were not negligible and must be considered in future carbon budgets in mangroves. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Contrast and Raman spectroscopy study of single- and few-layered charge density wave material: 2H-TaSe2

    PubMed Central

    Hajiyev, Parviz; Cong, Chunxiao; Qiu, Caiyu; Yu, Ting

    2013-01-01

    In this article, we report the first successful preparation of single- and few-layers of tantalum diselenide (2H-TaSe2) by mechanical exfoliation technique. Number of layers is confirmed by white light contrast spectroscopy and atomic force microscopy (AFM). Vibrational properties of the atomically thin layers of 2H-TaSe2 are characterized by micro-Raman spectroscopy. Room temperature Raman measurements demonstrate MoS2-like spectral features, which are reliable for thickness determination. E1g mode, usually forbidden in backscattering Raman configuration is observed in the supported TaSe2 layers while disappears in the suspended layers, suggesting that this mode may be enabled because of the symmetry breaking induced by the interaction with the substrate. A systematic in-situ low temperature Raman study, for the first time, reveals the existence of incommensurate charge density wave phase transition in single and double-layered 2H-TaSe2 as reflected by a sudden softening of the second-order broad Raman mode resulted from the strong electron-phonon coupling (Kohn anomaly). PMID:24005335

  10. Meridional Variations of C2H2 and C2H6 in Jupiter's Atmosphere from Cassini CIRS Infrared Spectra

    NASA Technical Reports Server (NTRS)

    Nixon, C. A.; Achterberg, R. K.; Conrath, B. J.; Irwin, P. G. J.; Fouchet, T.; Parrish, P. D.; Romani, P. N.; Abbas, M.; LeClair, A.; Strobel, D.

    2004-01-01

    Hydrocarbons such as acetylene (C2H2) and ethane (C2H6) are important tracers in Jupiter's atmosphere, constraining our models of the chemical and dynamical processes. However, our knowledge of the vertical and meridional variations of their abundances has remained sparse. During the flyby of the Cassini spacecraft in December 2000, the Composite Infrared Spectrometer (CIRS) instrument was used to map the spatial variation of emissions from 10-1400 cm(sup -1) (1000-7 microns). In this paper we analyze a zonally-averaged set of CIRS spectra taken at the highest (0.5 cm(sup -1)) resolution, to infer atmospheric temperatures in the stratosphere at 0.5-20 mbar via the v4 band of CH4, and in the troposphere at 150-400 mbar, via the H2 absorption at 600-800 cm(sup -1). Simultaneously, we retrieve the abundances of C2H2 and C2H6 via the v5 and vg bands respectively. Tropospheric absorption and stratospheric emission are highly anti-correlated at the CIRS resolution, introducing a non-uniqueness into the retrievals, such that vertical gradient and column abundance cannot both be found without additional constraints. Assuming profile gradients from photochemical calculations, we show that the column abundance of C2H2 decreases sharply towards the poles by a factor approximately 4, while C2H6 is unchanged in the north and increasing in the south, by a factor approximately 1.8. An explanation for the meridional trends is proposed in terms of a combination of photochemistry and dynamics. Poleward, the decreasing UV flux is predicted to decrease the abundances of C2H2 and C2H6 by factors 2.7 and 3.5 respectively at a latitude 70 deg. However, the lifetime of C2H6 in the stratosphere (5 x 10(exp 9)) is much longer than the dynamical timescale for meridional motions inferred from SL-9 debris (5 x 10(exp 8 s)), and therefore the constant or rising abundance towards high latitudes likely indicates that meridional mixing dominates over photochemical effects. For C2H2, the opposite

  11. Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory

    NASA Astrophysics Data System (ADS)

    Gritsenko, O. V.; van Gisbergen, S. J. A.; Görling, A.; Baerends, E. J.

    2000-11-01

    Time-dependent density functional theory (TDDFT) is applied for calculation of the excitation energies of the dissociating H2 molecule. The standard TDDFT method of adiabatic local density approximation (ALDA) totally fails to reproduce the potential curve for the lowest excited singlet 1Σu+ state of H2. Analysis of the eigenvalue problem for the excitation energies as well as direct derivation of the exchange-correlation (xc) kernel fxc(r,r',ω) shows that ALDA fails due to breakdown of its simple spatially local approximation for the kernel. The analysis indicates a complex structure of the function fxc(r,r',ω), which is revealed in a different behavior of the various matrix elements K1c,1cxc (between the highest occupied Kohn-Sham molecular orbital ψ1 and virtual MOs ψc) as a function of the bond distance R(H-H). The effect of nonlocality of fxc(r,r') is modeled by using different expressions for the corresponding matrix elements of different orbitals. Asymptotically corrected ALDA (ALDA-AC) expressions for the matrix elements K12,12xc(στ) are proposed, while for other matrix elements the standard ALDA expressions are retained. This approach provides substantial improvement over the standard ALDA. In particular, the ALDA-AC curve for the lowest singlet excitation qualitatively reproduces the shape of the exact curve. It displays a minimum and approaches a relatively large positive energy at large R(H-H). ALDA-AC also produces a substantial improvement for the calculated lowest triplet excitation, which is known to suffer from the triplet instability problem of the restricted KS ground state. Failure of the ALDA for the excitation energies is related to the failure of the local density as well as generalized gradient approximations to reproduce correctly the polarizability of dissociating H2. The expression for the response function χ is derived to show the origin of the field-counteracting term in the xc potential, which is lacking in the local density

  12. Dopamine-imprinted monolithic column for capillary electrochromatography.

    PubMed

    Aşır, Süleyman; Sarı, Duygu; Derazshamshir, Ali; Yılmaz, Fatma; Şarkaya, Koray; Denizli, Adil

    2017-11-01

    A dopamine-imprinted monolithic column was prepared and used in capillary electrochromatography as stationary phase for the first time. Dopamine was selectively separated from aqueous solution containing the competitor molecule norepinephrine, which is similar in size and shape to the template molecule. Morphology of the dopamine-imprinted column was observed by scanning electron microscopy. The influence of the organic solvent content of mobile phase, applied pressure and pH of the mobile phase on the recognition of dopamine by the imprinted monolithic column has been evaluated, and the imprinting effect in the dopamine-imprinted monolithic polymer was verified. Developed dopamine-imprinted monolithic column resulted in excellent separation of dopamine from structurally related competitor molecule, norepinephrine. Separation was achieved in a short period of 10 min, with the electrophoretic mobility of 5.81 × 10 -5  m 2 V -1 s -1 at pH 5.0 and 500 mbar pressure. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Relationship Between Column-Density and Surface Mixing Ratio: Statistical Analysis of O3 and NO2 Data from the July 2011 Maryland DISCOVER-AQ Mission

    NASA Technical Reports Server (NTRS)

    Flynn, Clare; Pickering, Kenneth E.; Crawford, James H.; Lamsol, Lok; Krotkov, Nickolay; Herman, Jay; Weinheimer, Andrew; Chen, Gao; Liu, Xiong; Szykman, James; hide

    2014-01-01

    To investigate the ability of column (or partial column) information to represent surface air quality, results of linear regression analyses between surface mixing ratio data and column abundances for O3 and NO2 are presented for the July 2011 Maryland deployment of the DISCOVER-AQ mission. Data collected by the P-3B aircraft, ground-based Pandora spectrometers, Aura/OMI satellite instrument, and simulations for July 2011 from the CMAQ air quality model during this deployment provide a large and varied data set, allowing this problem to be approached from multiple perspectives. O3 columns typically exhibited a statistically significant and high degree of correlation with surface data (R(sup 2) > 0.64) in the P- 3B data set, a moderate degree of correlation (0.16 < R(sup 2) < 0.64) in the CMAQ data set, and a low degree of correlation (R(sup 2) < 0.16) in the Pandora and OMI data sets. NO2 columns typically exhibited a low to moderate degree of correlation with surface data in each data set. The results of linear regression analyses for O3 exhibited smaller errors relative to the observations than NO2 regressions. These results suggest that O3 partial column observations from future satellite instruments with sufficient sensitivity to the lower troposphere can be meaningful for surface air quality analysis.

  14. Column Number Density Expressions Through M = 0 and M = 1 Point Source Plumes Along Any Straight Path

    NASA Technical Reports Server (NTRS)

    Woronowicz, Michael

    2016-01-01

    Analytical expressions for column number density (CND) are developed for optical line of sight paths through a variety of steady free molecule point source models including directionally-constrained effusion (Mach number M = 0) and flow from a sonic orifice (M = 1). Sonic orifice solutions are approximate, developed using a fair simulacrum fitted to the free molecule solution. Expressions are also developed for a spherically-symmetric thermal expansion (M = 0). CND solutions are found for the most general paths relative to these sources and briefly explored. It is determined that the maximum CND from a distant location through directed effusion and sonic orifice cases occurs along the path parallel to the source plane that intersects the plume axis. For the effusive case this value is exactly twice the CND found along the ray originating from that point of intersection and extending to infinity along the plume's axis. For sonic plumes this ratio is reduced to about 4/3. For high Mach number cases the maximum CND will be found along the axial centerline path. Keywords: column number density, plume flows, outgassing, free molecule flow.

  15. The interstellar chemistry of C3H and C3H2 isomers

    PubMed Central

    Loison, Jean-Christophe; Agúndez, Marcelino; Wakelam, Valentine; Roueff, Evelyne; Gratier, Pierre; Marcelino, Núria; Nuñez Reyes, Dianailys; Cernicharo, José; Gerin, Maryvonne

    2017-01-01

    We report the detection of linear and cyclic isomers of C3H and C3H2 towards various starless cores and review the corresponding chemical pathways involving neutral (C3Hx with x=1,2) and ionic (C3Hx+ with x = 1,2,3) isomers. We highlight the role of the branching ratio of electronic Dissociative Recombination (DR) reactions of C3H2+ and C3H3+ isomers showing that the statistical treatment of the relaxation of C3H* and C3H2* produced in these DR reactions may explain the relative c,l-C3H and c,l-C3H2 abundances. We have also introduced in the model the third isomer of C3H2 (HCCCH). The observed cyclic-to-linear C3H2 ratio vary from 110 ± 30 for molecular clouds with a total density around 1×104 molecules.cm-3 to 30 ± 10 for molecular clouds with a total density around 4×105 molecules.cm-3, a trend well reproduced with our updated model. The higher ratio for low molecular cloud densities is mainly determined by the importance of the H + l-C3H2H + c-C3H2 and H + t-C3H2H + c-C3H2 isomerization reactions. PMID:29142332

  16. The interstellar chemistry of C3H and C3H2 isomers

    NASA Astrophysics Data System (ADS)

    Loison, Jean-Christophe; Agúndez, Marcelino; Wakelam, Valentine; Roueff, Evelyne; Gratier, Pierre; Marcelino, Núria; Reyes, Dianailys Nuñez; Cernicharo, José; Gerin, Maryvonne

    2017-10-01

    We report the detection of linear and cyclic isomers of C3H and C3H2 towards various starless cores and review the corresponding chemical pathways involving neutral (C3Hx with x = 1,2) and ionic (C3Hx+ with x = 1,2,3) isomers. We highlight the role of the branching ratio of electronic dissociative recombination (DR) reactions of C3H2+ and C3H3+ isomers, showing that the statistical treatment of the relaxation of C3H* and C3H2* produced in these DR reactions may explain the relative c,l-C3H and c,l-C3H2 abundances. We have also introduced in the model the third isomer of C3H2 (HCCCH). The observed cyclic-to-linear C3H2 ratio varies from 110 ± 30 for molecular clouds with a total density of about 1 × 104 molecules cm-3 to 30 ± 10 for molecular clouds with a total density of about 4 × 105 molecules cm-3, a trend well reproduced with our updated model. The higher ratio for molecular clouds with low densities is determined mainly by the importance of the H + l-C3H2H + c-C3H2 and H + t-C3H2H + c-C3H2 isomerization reactions.

  17. SO2 columns over China: Temporal and spatial variations using OMI and GOME-2 observations

    NASA Astrophysics Data System (ADS)

    Huanhuan, Yan; Liangfu, Chen; Lin, Su; Jinhua, Tao; Chao, Yu

    2014-03-01

    Enhancements of SO2 column amounts due to anthropogenic emission sources over China were shown in this paper by using OMI and GOME-2 observations. The temporal and spatial variations of SO2 columns over China were analyzed for the time period 2005-2010. Beijing and Chongqing showed a high concentration in the SO2 columns, attributable to the use of coal for power generation in China and the characteristic of terrain and meteorology. The reduction of SO2 columns over Beijing and surrounding provinces in 2008 was observed by OMI, which confirms the effectiveness of strict controls on pollutant emissions and motor vehicle traffic before and during 2008 Olympic and Paralympic Games. The SO2 columns over China from GOME-2 (0.2-0.5 DU) were lower than those from OMI (0.6-1 DU), but both showed a decrease in SO2 columns over northern China since 2008 (except an increase in OMI SO2 in 2010).

  18. Hydrocarbon Chemistry in Planetary Nebulae: Observations of CCH and c-C3H2

    NASA Astrophysics Data System (ADS)

    Schmidt, Deborah Rose; Zack, Lindsay; Ziurys, Lucy M.

    2018-06-01

    In an effort to fully evaluate the molecular content of planetary nebulae (PNe), and the role of hydrocarbons, we have undertaken a search for CCH towards K4–47, K3–58, K3–17, M3–28, M4–14, Hb 5, K3-45, M1-7, M3-55, NGC 2440, NGC 6772, M1-12, and M1-20. These nebulae span a range of kinematic ages and morphologies. In addition, we observed CN, CCH, and c-C3H2 at eight positions sampling the Helix Nebula. Measurements at 3 mm of the N=1→0 transitions of CCH and CN and the J=21,2→10,1 of c-C3H2 were performed using the ALMA prototype 12-M antenna of the Arizona Radio Observatory (ARO), while the N=3→2 transition of CCH at 1 mm was observed using the ARO Sub-Millimeter Telescope. CCH was detected in 9 of the 13 survey PNe, while CCH, CN, and c-C3H2 were observed at all positions in the Helix, often with a complex velocity structure; c-C3H2 was also identified in K4-47. From radiative transfer modeling, column densities for CCH were found to range between Ntot(CCH) ~ 0.2-3.3 × 1015 cm-2 for the survey PNe, corresponding to fractional abundances with respect to H2 of f(CCH) ~ 0.2-47 × 10-7. The CN, CCH, and c-C3H2 column densities across the Helix were estimated to range between Ntot(CN) ~ 6.9-74 × 1011 cm-2, Ntot(CCH) ~ 3.2-28 × 1011 cm-2, and Ntot(c-C3H2) ~ 0.2-4.7 × 1011 cm-2, with fractional abundances of f(CN) ~ 0.9-9.8 × 10-7, f(CCH) ~ 0.4-3.7 × 10-7, and f(c-C3H2) ~ 0.3-6.5 × 10-8. Based on HCN measurements of the Helix by Schmidt & Ziurys (2017a), [CN]/[HCN] ratios are ~1-34, while [CCH]/[c-C3H2] ratios varied between ~3-46. The abundance of CCH in all observed PNe did not vary significantly across the nebular lifespan of ~10,000 years, in contrast to model predictions. These abundances are ~1-2 orders of magnitude greater than those measured in the diffuse ISM; moreover, the [CN]/[HCN] and [CCH]/[c-C3H2] ratios observed in the Helix are comparable to those in diffuse clouds, striking evidence that molecular material ejected from PNe

  19. Aspects of Supercritical Turbulence: Direct Numerical Simulation of O2/H2 and C7H16/N2 Temporal Mixing Layers

    NASA Technical Reports Server (NTRS)

    Bellan, J.; Okongo, N. A.; Harstad, K. G.; Hutt, John (Technical Monitor)

    2002-01-01

    Results from Direct Numerical Simulations of temporal, supercritical mixing layers for two species systems are analyzed to elucidate species-specific turbulence aspects. The two species systems, O2/H2 and C7HG16/N2, have different thermodynamic characteristics; thus, although the simulations are performed at similar reduced pressure (ratio of the pressure to the critical pressure), the former system is dose to mixture ideality and has a relatively high solubility with respect to the latter, which exhibits strong departures from mixture ideality Due to the specified, smaller initial density stratification, the C7H16/N2 layers display higher growth and increased global molecular mixing as well as larger turbulence levels. However, smaller density gradients at the transitional state for the O2/H2 system indicate that on a local basis, the layer exhibits an enhanced mixing, this being attributed to the increased solubility and to mixture ideality. These thermodynamic features are shown to affect the irreversible entropy production (i.e. the dissipation), which is larger for the O2/H2 layer and is primarily concentrated in high density-gradient magnitude regions that are distortions of the initial density stratification boundary. In contrast, the regions of largest dissipation in the C7H16/N2 layer are located in high density-gradient magnitude regions resulting from the mixing of the two fluids.

  20. The molecular complex associated with the Galactic H II region Sh2-90: a possible site of triggered star formation

    NASA Astrophysics Data System (ADS)

    Samal, M. R.; Zavagno, A.; Deharveng, L.; Molinari, S.; Ojha, D. K.; Paradis, D.; Tigé, J.; Pandey, A. K.; Russeil, D.

    2014-06-01

    Aims: We investigate the star formation activity in the molecular complex associated with the Galactic H ii region Sh2-90. Methods: We obtain the distribution of the ionized and cold neutral gas using radio-continuum and Herschel observations. We use near-infrared and Spitzer data to investigate the stellar content of the complex. We discuss the evolutionary status of embedded massive young stellar objects (MYSOs) using their spectral energy distribution. Results: The Sh2-90 region presents a bubble morphology in the mid-infrared. Radio observations suggest it is an evolved H ii region with an electron density ~144 cm-3, emission measure ~ 6.7 × 104 cm-6 pc and an ionized mass ~55 M⊙. From Herschel and CO (J = 3 - 2) observations we found that the H ii region is part of an elongated extended molecular cloud (H2 column density ≥ 3 × 1021 cm-2 and dust temperature 18-27 K) of total mass ≥ 1 × 104 M⊙. We identify the ionizing cluster of Sh2-90, the main exciting star being an O8-O9 V star. Five cold dust clumps, four mid-IR blobs around B stars, and a compact H ii region are found at the edge of the bubble. The velocity information derived from CO data cubes suggest that most of them are associated with the Sh2-90 region. One hundred and twenty-nine low mass (≤3 M⊙) YSOs have been identified, and they are found to be distributed mostly in the regions of high column density. Four candidate Class 0/I MYSOs have been found. We suggest that multi-generation star formation is present in the complex. From evidence of interaction, time scales involved, and evolutionary status of stellar/protostellar sources, we argue that the star formation at the edges of Sh2-90 might have been triggered. However, several young sources in this complex are probably formed by some other processes. Full Table 5 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/566/A122

  1. Anion-exchange behavior of several alkylsilica reversed-phase columns.

    PubMed

    Marchand, D H; Snyder, L R

    2008-10-31

    Some alkylsilica columns carry a positive charge at low pH, as determined by anion-exchange with nitrate ion. In the present study, the relative positive charge for 14 alkylsilica columns was measured for a mobile-phase pH 3.0. All but 3 of these columns were found to carry a significant positive charge under these conditions. The relative positive charge on these columns was found to correlate approximately with two other column characteristics: relative cation-exchange behavior as measured by the hydrophobic-subtraction model (values of C-2.8), and slow equilibration of the column to changes in the mobile-phase-as evidenced by a slow change in the retention of anionic and cationic solutes with time. The origin of this positive charge may arise from the bonding process, with incorporation of some cationic entity into the stationary phase.

  2. Ultraviolet Survey of CO and H2 in Diffuse Molecular Clouds: The Reflection of Two Photochemistry Regimes in Abundance Relationships

    NASA Astrophysics Data System (ADS)

    Sheffer, Y.; Rogers, M.; Federman, S. R.; Abel, N. P.; Gredel, R.; Lambert, D. L.; Shaw, G.

    2008-11-01

    We carried out a comprehensive far-UV survey of 12CO and H2 column densities along diffuse molecular Galactic sight lines. This sample includes new measurements of CO from HST spectra along 62 sight lines and new measurements of H2 from FUSE data along 58 sight lines. In addition, high-resolution optical data were obtained at the McDonald and European Southern Observatories, yielding new abundances for CH, CH+, and CN along 42 sight lines to aid in interpreting the CO results. These new sight lines were selected according to detectable amounts of CO in their spectra and provide information on both lower density (<=100 cm-3) and higher density diffuse clouds. A plot of log N(CO) versus log N(H2) shows that two power-law relationships are needed for a good fit of the entire sample, with a break located at log N(CO , cm -2) = 14.1 and log N(H2) = 20.4, corresponding to a change in production route for CO in higher density gas. Similar logarithmic plots among all five diatomic molecules reveal additional examples of dual slopes in the cases of CO versus CH (break at log N = 14.1, 13.0), CH+ versus H2 (13.1, 20.3), and CH+ versus CO (13.2, 14.1). We employ both analytical and numerical chemical schemes in order to derive details of the molecular environments. In the denser gas, where C2 and CN molecules also reside, reactions involving C+ and OH are the dominant factor leading to CO formation via equilibrium chemistry. In the low-density gas, where equilibrium chemistry studies have failed to reproduce the abundance of CH+, our numerical analysis shows that nonequilibrium chemistry must be employed for correctly predicting the abundances of both CH+ and CO.

  3. New insights into the column CH2O/NO2 ratio as an indicator of near-surface ozone sensitivity

    NASA Astrophysics Data System (ADS)

    Schroeder, Jason R.; Crawford, James H.; Fried, Alan; Walega, James; Weinheimer, Andrew; Wisthaler, Armin; Müller, Markus; Mikoviny, Tomas; Chen, Gao; Shook, Michael; Blake, Donald R.; Tonnesen, Gail S.

    2017-08-01

    Satellite-based measurements of the column CH2O/NO2 ratio have previously been used to estimate near-surface ozone (O3) sensitivity (i.e., NOx or VOC limited), and the forthcoming launch of air quality-focused geostationary satellites provides a catalyst for reevaluating the ability of satellite-measured CH2O/NO2 to be used in this manner. In this study, we use a 0-D photochemical box model to evaluate O3 sensitivity and find that the relative rate of radical termination from radical-radical interactions to radical-NOx interactions (referred to as LROx/LNOx) provides a good indicator of maximum O3 production along NOx ridgelines. Using airborne measurements from NASA's Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relative to Air Quality (DISCOVER-AQ) deployments in Colorado, Maryland, and Houston, we show that in situ measurements of CH2O/NO2 can be used to indicate O3 sensitivity, but there is an important "transition/ambiguous" range whereby CH2O/NO2 fails to categorize O3 sensitivity, and the range and span of this transition/ambiguous range varies regionally. Then, we apply these findings to aircraft-derived column density measurements from DISCOVER-AQ and find that inhomogeneities in vertical mixing in the lower troposphere further degrades the ability of column CH2O/NO2 to indicate near-surface O3 sensitivity (i.e., the transition/ambiguous range is much larger than indicated by in situ data alone), and we hypothesize that the global transition/ambiguous range is sufficiently large to make the column CH2O/NO2 ratio unuseful for classifying near-surface O3 sensitivity. Lastly, we present a case study from DISCOVER-AQ-Houston that suggests that O3 sensitivity on exceedance days may be substantially different than on nonexceedance days (which may be observable from space) and explore the diurnal evolution of O3 sensitivity, O3 production, and the column CH2O/NO2 ratio. The results of these studies suggest that

  4. Advanced Intensity-Modulation Continuous-Wave Lidar Techniques for Column CO2 Measurements

    NASA Astrophysics Data System (ADS)

    Campbell, J. F.; Lin, B.; Obland, M. D.; Liu, Z.; Kooi, S. A.; Fan, T. F.; Nehrir, A. R.; Meadows, B.; Browell, E. V.

    2016-12-01

    Advanced Intensity-Modulation Continuous-Wave Lidar Techniques for Column CO2 MeasurementsJoel F. Campbell1, Bing Lin1, Michael D. Obland1, Zhaoyan Liu1, Susan Kooi2, Tai-Fang Fan2, Amin R. Nehrir1, Byron Meadows1, Edward V. Browell31NASA Langley Research Center, Hampton, VA 23681 2SSAI, NASA Langley Research Center, Hampton, VA 23681 3STARSS-II Affiliate, NASA Langley Research Center, Hampton, VA 23681 AbstractGlobal and regional atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission and the Atmospheric Carbon and Transport (ACT) - America project are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity-Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space and airborne platforms to meet the ASCENDS and ACT-America science measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud returns. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby minimizing bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new sub-meter hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. These techniques are used in a new data processing

  5. On N. Park's Analytical solution for steady state density- and mixing regime—dependent solute transport in a vertical soil column

    NASA Astrophysics Data System (ADS)

    Thiele, Michael

    1998-04-01

    Recently, Park [1996] presented an analytical solution for stationary one-dimensional solute transport in a variable-density fluid flow through a vertical soil column. He used the widespread Bear-Scheidegger dispersion model describing solute mixing as a sum of molecular diffusion and velocity-proportional mechanical dispersion effects. His closed-form implicit concentration and pressure distributions thus allow for a discussion of the combined impact of molecular diffusion and mechanical dispersion in a variable-density environment. Whereas Park only considered the example of vanishing molecular diffusion in detail, both phenomena are taken into account simultaneously in the present study in order to elucidate their different influences on concentration distribution characteristics. The boundary value problem dealt with herein is based on an upward inflow of high-density fluid of constant solute concentration and corresponding outflow of a lower constant concentration fluid at the upper end of the column when dispersivity does not change along the flow path. The thickness of the transition zone between the two fluids appeared to strongly depend on the prevailing share of the molecular diffusion and mechanical dispersion mechanisms. The latter can be characterized by a molecular Peclet number Pe, which here is defined as the ratio of the column outflow velocity multiplied by a characteristic pore size and the molecular diffusion coefficient. For very small values of Pe, when molecular diffusion represents the exclusive mixing process, density differences have no impact on transition zone thicknesses. A relative density-;dependent thickness increases with flow velocities (increasing Pe values) very rapidly compared to the density-independent case, and after having passed a maximum decreases asymptotically to a constant value for the large Peclet number limit when mechanical dispersion is the only mixing mechanism. Hence the special transport problem analyzed gives

  6. H2S Injection and Sequestration into Basalt - The SulFix Project

    NASA Astrophysics Data System (ADS)

    Gudbrandsson, S.; Moola, P.; Stefansson, A.

    2014-12-01

    Atmospheric H2S emissions are among major environmental concern associated with geothermal energy utilization. It is therefore of great importance for the geothermal power sector to reduce H2S emissions. Known solutions for H2S neutralization are both expensive and include production of elemental sulfur and sulfuric acid that needs to be disposed of. Icelandic energy companies that utilize geothermal power for electricity production have decided to try to find an environmentally friendly and economically feasible solution to reduce the H2S emission, in a joint venture called SulFix. The aim of SulFix project is to explore the possibilities of injecting H2S dissolved in water into basaltic formations in close proximity to the power plants for permanent fixation as sulfides. The formation of sulfides is a natural process in geothermal systems. Due to basalt being rich in iron and dissolving readily at acidic conditions, it is feasible to re-inject the H2S dissolved in water, into basaltic formations to form pyrite. To estimate the mineralization rates of H2S, in the basaltic formation, flow through experiments in columns were conducted at various H2S concentrations, temperatures (100 - 240°C) and both fresh and altered basaltic glass. The results indicate that pyrite rapidly forms during injection into fresh basalt but the precipiation in altered basalt is slower. Three different alteration stages, as a function of distance from inlet, can be observed in the column with fresh basaltic glass; (1) dissolution features along with precipitation, (2) precipitation increases, both sulfides and other secondary minerals and (3) the basalt looks to be unaltered and little if any precipitation is observed. The sulfur has precipitated in the first half of the column and thereafter the solution is possibly close to be supersaturated with respect to the rock. These results indicate that the H2S sequestration into basalt is possible under geothermal conditions. The rate limiting

  7. Standardization of RP-HPLC methods for the detection of the major peanut allergens Ara h 1, Ara h 2 and Ara h 3

    USDA-ARS?s Scientific Manuscript database

    Crude peanut extract (CPE) was analyzed for three major allergens (Ara h 1, h 2, and h 3) using a C12 and a C18 column at two wavelengths (280 and 220 nm) and under different solvent conditions. HPLC profiles were compared for retention time, resolution, and peak heights. CPE samples were spiked wit...

  8. Lyα EMISSION FROM GREEN PEAS: THE ROLE OF CIRCUMGALACTIC GAS DENSITY, COVERING, AND KINEMATICS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Henry, Alaina; Scarlata, Claudia; Martin, Crystal L.

    2015-08-10

    We report Hubble Space Telescope/Cosmic Origins Spectrograph observations of the Lyα emission and interstellar absorption lines in a sample of 10 star-forming galaxies at z ∼ 0.2. Selected on the basis of high equivalent width optical emission lines, the sample, dubbed “Green Peas,” make some of the best analogs for young galaxies in an early universe. We detect Lyα emission in all ten galaxies, and 9/10 show double-peaked line profiles suggestive of low H i column density. We measure Lyα/Hα flux ratios of 0.5–5.6, implying that 5%–60% of Lyα photons escape the galaxies. These data confirm previous findings that low-ionizationmore » metal absorption (LIS) lines are weaker when Lyα escape fraction and equivalent width are higher. However, contrary to previously favored interpretations of this trend, increased Lyα output cannot be the result of a varying H i covering: the Lyman absorption lines (Lyβ and higher) show a covering fraction near unity for gas with N{sub H} {sub i} ≳ 10{sup 16} cm{sup −2}. Moreover, we detect no correlation between Lyα escape and the outflow velocity of the LIS lines, suggesting that kinematic effects do not explain the range of Lyα/Hα flux ratios in these galaxies. In contrast, we detect a strong anticorrelation between the Lyα escape fraction and the velocity separation of the Lyα emission peaks, driven primarily by the velocity of the blue peak. As this velocity separation is sensitive to H i column density, we conclude that Lyα escape in these Green Peas is likely regulated by the H i column density rather than outflow velocity or H i covering fraction.« less

  9. Structural discrimination via density functional theory and lattice dynamics: Monoclinic Mg2NiH4

    NASA Astrophysics Data System (ADS)

    Herbst, J. F.; Hector, L. G., Jr.

    2009-04-01

    Two distinct crystal structures for the monoclinic, low-temperature phase of Mg2NiH4 , which we designate as LTI and LTII, are available in the published literature. We demonstrate that density functional theory and lattice dynamics can easily identify LTII as the preferable structure at two levels of inquiry. First, enthalpies of formation ΔH calculated using three different forms for the exchange-correlation energy functional are in better agreement with experiment for LTII. Second, the phonon spectrum calculated for LTII contains no anomalies while that for LTI exhibits a variety of soft modes. By analyzing the soft modes in LTI as well as those we find for the known CaMgNiH4 structure with Ca replaced by Mg we derive a crystal structure that closely approximates LTII.

  10. [CII] observations of H2 molecular layers in transition clouds

    NASA Astrophysics Data System (ADS)

    Velusamy, T.; Langer, W. D.; Pineda, J. L.; Goldsmith, P. F.; Li, D.; Yorke, H. W.

    2010-10-01

    We present the first results on the diffuse transition clouds observed in [CII] line emission at 158 μm (1.9 THz) towards Galactic longitudes near 340° (5 LOSs) & 20° (11 LOSs) as part of the HIFI tests and GOT C+ survey. Out of the total 146 [CII] velocity components detected by profile fitting we identify 53 as diffuse molecular clouds with associated 12CO emission but without 13CO emission and characterized by AV < 5 mag. We estimate the fraction of the [CII] emission in the diffuse HI layer in each cloud and then determine the [CII] emitted from the molecular layers in the cloud. We show that the excess [CII] intensities detected in a few clouds is indicative of a thick H2 layer around the CO core. The wide range of clouds in our sample with thin to thick H2 layers suggests that these are at various evolutionary states characterized by the formation of H2 and CO layers from HI and C+, respectively. In about 30% of the clouds the H2 column densities (“dark gas”) traced by the [CII] is 50% or more than that traced by 12CO emission. On the average ~25% of the total H2 in these clouds is in an H2 layer which is not traced by CO. We use the HI, [CII], and 12CO intensities in each cloud along with simple chemical models to obtain constraints on the FUV fields and cosmic ray ionization rates. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  11. NO2 column changes induced by volcanic eruptions

    NASA Technical Reports Server (NTRS)

    Johnston, Paul V.; Keys, J. Gordon; Mckenzie, Richard L.

    1994-01-01

    Nitrogen dioxide slant column amounts measured by ground-based remote sensing from Lauder, New Zealand (45 deg S) and Campbell Island (53 deg S) during the second half of 1991 and early 1992 show anomalously low values that are attributed to the effects of volcanic eruptions. It is believed that the eruptions of Mount Pinatubo in the Philippines in June 1991 and possibly Mount Hudson in Chile in August 1991 are responsible for the stratospheric changes, which first became apparent in July 1991. The effects in the spring of 1991 are manifested as a reduction in the retrieved NO2 column amounts from normal levels by 35 to 45 percent, and an accompanying increase in the overnight decay of NO2. The existence of an accurate long-term record of column NO2 from the Lauder site enables us to quantify departures from the normal seasonal behavior with some confidence. Simultaneous retrievals of column ozone agree well with Dobson measurements, confirming that only part of the NO2 changes can be attributed to a modification of the scattering geometry by volcanic aerosols. Other reasons for the observed behavior are explored, including the effects of stratospheric temperature increases resulting from the aerosol loading and the possible involvement of heterogeneous chemical processes.

  12. Dry efficient cleaning of poly-methyl-methacrylate residues from graphene with high-density H{sub 2} and H{sub 2}-N{sub 2} plasmas

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cunge, G., E-mail: gilles.cunge@cea.fr; Petit-Etienne, C.; Davydova, A.

    Graphene is the first engineering electronic material, which is purely two-dimensional: it consists of two exposed sp{sup 2}-hybridized carbon surfaces and has no bulk. Therefore, surface effects such as contamination by adsorbed polymer residues have a critical influence on its electrical properties and can drastically hamper its widespread use in devices fabrication. These contaminants, originating from mandatory technological processes of graphene synthesis and transfer, also impact fundamental studies of the electronic and structural properties at the atomic scale. Therefore, graphene-based technology and research requires “soft” and selective surface cleaning techniques dedicated to limit or to suppress this surface contamination. Here,more » we show that a high-density H{sub 2} and H{sub 2}-N{sub 2} plasmas can be used to selectively remove polymeric residues from monolayer graphene without any damage on the graphene surface. The efficiency of this dry-cleaning process is evidenced unambiguously by a set of spectroscopic and microscopic methods, providing unprecedented insights on the cleaning mechanisms and highlighting the role of specific poly-methyl-methacrylate residues at the graphene interface. The plasma is shown to perform much better cleaning than solvents and has the advantage to be an industrially mature technology adapted to large area substrates. The process is transferable to other kinds of two-dimensional material and heterostructures.« less

  13. Surveying the H I Content of the Galactic Halo via Lyman Series Absorption

    NASA Astrophysics Data System (ADS)

    Fox, Andrew

    The halo of the Milky Way is home to a population of gaseous high-velocity clouds (HVCs) that trace the exchange of matter between the Galaxy and its surroundings. HVCs have been studied extensively via H I 21 cm emission and UV metal-line absorption. Here we propose a third, complementary approach for studying HVCs: surveying them in UV Lyman series H I absorption using all AGN spectra in the FarUltraviolet Spectroscopic Explorer (FUSE) archive. This H I survey will constitute a metal-independent view of the baryons in the Galactic halo at a level over 1000 times more sensitive than 21 cm surveys, and it can be conducted with archival data alone. 67 AGN are available in the FUSE archives with suitable properties (S/N>4 at 977 A), and the data are reduced and ready for analysis. With these data, we will calculate HVC sky covering fractions in H I absorption and conduct HVC metallicity measurements in sightlines with UV metal absorption in HST/COS or HST/STIS spectra. We will calculate the Galactic H I column density distribution function (CDDF), the incidence of H I clouds per unit column density that encodes underlying density and ionization variations and is sensitive to the escaping ionization radiation field. The CDDF has been measured at high redshifts over eight orders of magnitude of H I column density via quasar-absorption line experiments. However, the Galactic H I CDDF has until now only been constrained at high H I column density where HVCs can be seen in 21cm emission. Our detailed work plan will involve identifying and modeling HVC absorption in ten Lyman series lines from Ly gamma 972 to Ly mu 917 in each sight line in the FUSE sample. This will constrain the H I CDDF in the column density range log N(H I) 14 to 18. By combining with the existing H I CDDF in 21 cm HVCs in the range log N(H I) 18 to 21 from the all-sky GASS survey, we will produce a global Galactic CDDF complete over seven orders of magnitude, providing key new information on the

  14. Inelastic column behavior

    NASA Technical Reports Server (NTRS)

    Duberg, John E; Wilder, Thomas W , III

    1952-01-01

    The significant findings of a theoretical study of column behavior in the plastic stress range are presented. When the behavior of a straight column is regarded as the limiting behavior of an imperfect column as the initial imperfection (lack of straightness) approaches zero, the departure from the straight configuration occurs at the tangent-modulus load. Without such a concept of the behavior of a straight column, one is led to the unrealistic conclusion that lateral deflection of the column can begin at any load between the tangent-modulus value and the Euler load, based on the original elastic modulus. A family of curves showing load against lateral deflection is presented for idealized h-section columns of various lengths and of various materials that have a systematic variation of their stress-strain curves.

  15. Advanced Intensity-Modulation Continuous-Wave Lidar Techniques for Column CO2 Measurements

    NASA Astrophysics Data System (ADS)

    Campbell, J. F.; Lin, B.; Nehrir, A. R.; Obland, M. D.; Liu, Z.; Browell, E. V.; Chen, S.; Kooi, S. A.; Fan, T. F.

    2015-12-01

    Global and regional atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission and Atmospheric Carbon and Transport (ACT) - America airborne investigation are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity-Modulated Continuous-Wave (IM-CW) lidar techniques are being investigated as a means of facilitating CO2 measurements from space and airborne platforms to meet the mission science measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud returns. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of intervening optically thin clouds, thereby minimizing bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the Earth's surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques and provides very high (at sub-meter level) range resolution. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These techniques are used in a new data processing architecture to support the ASCENDS CarbonHawk Experiment Simulator (ACES) and ACT-America programs.

  16. Effect of H. pylori density by histopathology on its complications and eradication therapy.

    PubMed

    Shah, Dharmesh K; Jain, Samit S; Mohite, Ashok; Amarapurkar, Anjali D; Contractor, Q Q; Rathi, Pravin M

    2015-01-01

    Helicobacter pylori (H. pylori) infection causes chronic gastritis and is a major risk factor for duodenal and gastric ulceration, gastric adenocarcinoma, and primary gastric lymphoma. Increased gastric bacterial density may lead to increased levels of inflammation and epithelial injury. 1) To study the effect of H. pylori density by histological changes in stomach. 2) To study the effect of H. pylori density on the efficacy of standard triple drug eradication treatment. 3) To study the effect of H. pylori density on the complication related to H. pylori. All the patients visiting gastroenterology OPD with the symptoms of dyspepsia not responding to proton pump inhibitor or having alarm symptoms were subjected to upper GI endoscopy and biopsy. If H. pylori was present they were included in the study. The patients were given standard 14 day triple antibiotic combination for H. pylori eradication. H. pylori eradication was confirmed by urea breath test after six weeks of completion of treatment. Out of 250 patients screened, 120 patients enrolled in the study. On clinical history 41.5% patients had symptoms of heart burn where as 63.3% patients had dyspeptic symptoms. Success rate of anti H. pylori triple drug therapy was 80%. Rate of eradication was significantly lower among the patients with higher H. pylori density (p < 0.05) on histopathology by Sydney classification. Duodenal ulcer, Gastric ulcer and gastric erosion were noted in higher frequencies among the patients with higher H. pylori density (p < 0.05). H. pylori density by histopathology correlates with the complication related to H. pylori i.e. duodenal ulcer, reflux esophagitis and antral erosions. It also correlates with the success of the standard triple drug eradication treatment.

  17. The quest for H_3^+ at Neptune: deep burn observations with NASA IRTF iSHELL

    NASA Astrophysics Data System (ADS)

    Melin, H.; Fletcher, L. N.; Stallard, T. S.; Johnson, R. E.; O'Donoghue, J.; Moore, L.; Donnelly, P. T.

    2018-03-01

    Emission from the molecular ion H_3^+ is a powerful diagnostic of the upper atmosphere of Jupiter, Saturn, and Uranus, but it remains undetected at Neptune. In search of this emission, we present near-infrared spectral observations of Neptune between 3.93 and 4.00 μm taken with the newly commissioned iSHELL instrument on the NASA Infrared Telescope Facility in Hawaii, obtained 2017 August 17-20. We spent 15.4 h integrating across the disc of the planet, yet were unable to unambiguously identify any H_3^+ line emissions. Assuming a temperature of 550 K, we derive an upper limit on the column integrated density of 1.0^{+1.2}_{-0.8}× 10^{13} m-2, which is an improvement of 30 per cent on the best previous observational constraint. This result means that models are overestimating the density by at least a factor of 5, highlighting the need for renewed modelling efforts. A potential solution is strong vertical mixing of polyatomic neutral species from Neptune's upper stratosphere to the thermosphere, reacting with H_3^+, thus greatly reducing the column integrated H_3^+ densities. This upper limit also provide constraints on future attempts at detecting H_3^+ using the James Webb Space Telescope.

  18. Flow-through Column Experiments and Modeling of Microbially Mediated Cr(VI) Reduction at Hanford 100H

    NASA Astrophysics Data System (ADS)

    Yang, L.; Molins, S.; Beller, H. R.; Brodie, E. L.; Steefel, C.; Nico, P. S.; Han, R.

    2010-12-01

    Microbially mediated Cr(VI) reduction at the Hanford 100H area was investigated by flow-through column experiments. Three separate experiments were conducted to promote microbial activities associated with denitrification, iron and sulfate reduction, respectively. Replicate columns packed with natural sediments from the site under anaerobic environment were injected with 5mM Lactate as the electron donor and 5 μM Cr(VI) in all experiments. Sulfate and nitrate solutions were added to act as the main electron acceptors in the respective experiments, while iron columns relied on the indigenous sediment iron (and manganese) oxides as electron acceptors. Column effluent solutions were analyzed by IC and ICP-MS to monitor the microbial consumption/conversion of lactate and the associated Cr(VI) reduction. Biogeochemical reactive transport modeling was performed to gain further insights into the reaction mechanisms and Cr(VI) bioreduction rates. All experimental columns showed a reduction of the injected Cr(VI). Columns under denitrifying conditions showed the least Cr(VI) reduction at early stages (<60 days) compared to columns run under other experimental conditions, but became more active over time, and ultimately showed the most consistent Cr(VI) reduction. A strong correlation between denitrification and Cr(VI) reduction processes was observed and was in agreement with the results obtained in batch experiments with a denitrifying bacterium isolated from the Hanford site. The accumulation of nitrite does not appear to have an adverse effect on Cr(VI) reduction rates. Reactive transport simulations indicated that biomass growth completely depleted influent ammonium, and called for an additional source of N to account for the measured reduction rates. Iron columns were the least active with undetectable consumption of the injected lactate, slowest cell growth, and the smallest change in Cr(VI) concentrations during the course of the experiment. In contrast, columns

  19. Deuterium Abundance Toward G191-B2B: Results from the Far Ultraviolet Spectroscopic Explorer (FUSE) Mission

    NASA Technical Reports Server (NTRS)

    Lemoine, M.; Vidal-Madjar, A.; Hebrard, G.; Desert, J.-M.; Ferlet, R.; LecavelierdesEtangs, A.; Howk, J. C.; Andre, M.; Blair, W. P.; Friedman, S. D.; hide

    2002-01-01

    High-resolution spectra of the hot white dwarf G191-B2B covering the wavelength region 905-1187A were obtained with the Far Ultraviolet Spectroscopic Explorer (FUSE). This data was used in conjunction with existing high-resolution Hubble Space Telescope STIS observations to evaluate the total H(sub I), D(sub I), O(sub I) and N(sub I) column densities along the line of sight. Previous determinations of N(D(sub I)) based upon GHRS (Goddard High Resolution Spectrograph) and STIS (Space Telescope Imaging Spectrograph) observations were controversial due to the saturated strength of the D(sub I) Lyman alpha line. In the present analysis the column density of D(sub I) has been measured using only the unsaturated Lyman beta and Lyman gamma lines observed by FUSE. A careful inspection of possible systematic uncertainties tied to the modeling of the stellar continuum or to the uncertainties in the FUSE instrumental character series has been performed. The column densities derived are: log N(D(sub I)) = 13.40+/-0.07, log N(O(sub I)) = 14.86+/-0.07, and log N(N(sub I)) = 13.87+/-0.07 quoted with 2sigma, uncertainties. The measurement of the H(sub I) column density by profile fitting of the Lyman alpha line has been found to be unsecure. If additional weak hot interstellar components are added to the three detected clouds along the line of sight, the H(sub I)) column density can be reduced quite significantly, even though the signal-to-noise ratio and spectral resolution at Lyman alpha are excellent. The new estimate of N(H(sub I)) toward G191-B2B reads: logN(H (sub I)) = 18.18+/-0.18 (2sigma uncertainty), so that the average (D/H) ratio on the line of sight is: (D/H)= 1.66(+0.9/-0.6) x 10(exp -5) (2sigma uncertainty).

  20. Ultra high pressure liquid chromatography. Column permeability and changes of the eluent properties.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2008-04-11

    The behavior of four similar liquid chromatography columns (2.1mm i.d. x 30, 50, 100, and 150 mm, all packed with fine particles, average d(p) approximately 1.7 microm, of bridged ethylsiloxane/silica hybrid-C(18), named BEH-C(18)) was studied in wide ranges of temperature and pressure. The pressure and the temperature dependencies of the viscosity and the density of the eluent (pure acetonitrile) along the columns were also derived, using the column permeabilities and applying the Kozeny-Carman and the heat balance equations. The heat lost through the external surface area of the chromatographic column was directly derived from the wall temperature of the stainless steel tube measured with a precision of +/-0.2 degrees C in still air and +/-0.1 degrees C in the oven compartment. The variations of the density and viscosity of pure acetonitrile as a function of the temperature and pressure was derived from empirical correlations based on precise experimental data acquired between 298 and 373 K and at pressures up to 1.5 kbar. The measurements were made with the Acquity UPLC chromatograph that can deliver a maximum flow rate of 2 mL/min and apply a maximum column inlet pressure of 1038 bar. The average Kozeny-Carman permeability constant of the columns was 144+/-3.5%. The temperature hence the viscosity and the density profiles of the eluent along the column deviate significantly from linear behavior under high-pressure gradients. For a 1000 bar pressure drop, we measured DeltaT=25-30 K, (Deltaeta/eta) approximately 100%, and (Deltarho/rho) approximately 10%. These results show that the radial temperature profiles are never fully developed within 1% for any of the columns, even under still-air conditions. This represents a practical advantage regarding the apparent column efficiency at high flow rates, since the impact of the differential analyte velocity between the column center and the column wall is not maximum. The interpretation of the peak profiles recorded in

  1. Effects of elevated temperature and mobile phase composition on a novel C18 silica column.

    PubMed

    Lippert, J Andreas; Johnson, Todd M; Lloyd, Jarem B; Smith, Jared P; Johnson, Bryce T; Furlow, Jason; Proctor, Angela; Marin, Stephanie J

    2007-05-01

    A novel polydentate C18 silica column was evaluated at an elevated temperature under acidic, basic, and neutral mobile phase conditions using ACN and methanol as the mobile phase organic modifier. The temperature range was 40-200 degrees C. The mobile phase compositions were from 0 to 80% organic-aqueous v/v and the mobile phase pH levels were between 2 and 12. The maximum operating temperature of the column was affected by the amount and type of organic modifier used in the mobile phase. Under neutral conditions, the column showed good column thermal stability at temperatures ranging between 120 and 200 degrees C in methanol-water and ACN-water solvent systems. At pH 2 and 3, the column performed well up to about 160 degrees C at two fixed ACN-buffer compositions. Under basic conditions at elevated temperatures, the column material deteriorated more quickly, but still remained stable up to 100 degrees C at pH 9 and 60 degrees C at pH 10. The results of this study indicate that this novel C18 silica-based column represents a significant advancement in RPLC column technology with enhanced thermal and pH stability when compared to traditional bonded phase silica columns.

  2. Does CO trace H2 at high galactic latitude

    NASA Technical Reports Server (NTRS)

    Bazell, David; Blitz, L.; Desert, Francois-Xavier

    1989-01-01

    A CO survey of 342 Infrared Excess Clouds (IRECs) distributed uniformly across the sky is presented. Following comparison of the integrated CO brightness with the 100 micron infrared brightness B(sub 4) obtained from the IRAS data, evidence was found for a threshold in B(sub 4) of 4-5 MJy sr(exp -1) below which CO does not form. Evidence is also presented that the threshold effect can be seen within an individual cloud, providing evidence for a phase transition between atomic and molecular gas. While the main thrust was to examine the CO content of the IRECs, it was also attempted to detect CO toward a number of UV stars so that CO brightness could be correlated with direct measurements of H2 column density and E(B-V). Of the 26 observed stars CO was detected toward 6. It is consistent with the results obtained using infrared data.

  3. An Erupting Active Region Filament: Three-Dimensional Trajectory and Hydrogen Column Density

    NASA Astrophysics Data System (ADS)

    Penn, M. J.

    2000-05-01

    From 15:33-16:02 UT on 13 June 1998 observations of an erupting filament as it crossed solar disk center were obtained with the NSO/KPVT and SoHO/CDS instruments as part of the SoHO Joint Observing Program 70. Context observations show that this event was the eruption of the north-east section of a small active region filament associated with NOAA 8237, that the photospheric magnetic field was changing in this active region from 12 through 14 June 1998, that a coronal Moreton-wave disk event occurred, as well as a white-light CME off the south-west solar limb. The NSO/KPVT imaging spectroscopy sho the He I 1083 nm absorption line blue-shifted to velocities of between 200 and 300 km s-1. The true solar trajectory of the eruption is obtained by using the projected solar coordinates and by integrating the Doppler velocity. The filament travels with a total velocity of about 300 km s-1 along a path inclined roughly 49 degrees to the solar surface and rises to a height of just over 1.5 solar radii. The KPVT data show no Stokes V profiles in the Doppler shifted He I 1083 nm absorption to a limit of roughly 3 x 10-3 times the continuum intensity. The SoHO/CDS data scanned the center of the KPVT FOV using seven EUV lines; Doppler shifted filament emission is seen in six lines from representing temperatures from about 2 x 104K through 1 x 106K. Bound-free continuum absorption from H I, free from confusion from foreground emission and line emission, is seen as the filament obscures underlying chromospheric emission. A fit to the wavelength dependence of the absorption from five lines between 55.5 to 63.0 nm yields a column density ξ HI = 1.7 x 1018cm-2. Spatial maps show that this filament absorption is more confined than the regions which show emission. This work was made possible by 1997 and 1999 SoHO Guest Investigator awards NASA #W-19,142 Basic and NASA NAG5-8004.

  4. Estimating 40 years of nitrogen deposition in global biomes using the SCIAMACHY NO2 column

    USGS Publications Warehouse

    Lu, Xuehe; Zhang, Xiuying; Liu, Jinxun; Jin, Jiaxin

    2016-01-01

    Owing to human activity, global nitrogen (N) cycles have been altered. In the past 100 years, global N deposition has increased. Currently, the monitoring and estimating of N deposition and the evaluation of its effects on global carbon budgets are the focus of many researchers. NO2 columns retrieved by space-borne sensors provide us with a new way of exploring global N cycles and these have the ability to estimate N deposition. However, the time range limitation of NO2 columns makes the estimation of long timescale N deposition difficult. In this study we used ground-based NOx emission data to expand the density of NO2columns, and 40 years of N deposition (1970–2009) was inverted using the multivariate linear model with expanded NO2 columns. The dynamic of N deposition was examined in both global and biome scales. The results show that the average N deposition was 0.34 g N m–2 year–1 in the 2000s, which was an increase of 38.4% compared with the 1970s’. The total N deposition in different biomes is unbalanced. N deposition is only 38.0% of the global total in forest biomes; this is made up of 25.9%, 11.3, and 0.7% in tropical, temperate, and boreal forests, respectively. As N-limited biomes, there was little increase of N deposition in boreal forests. However, N deposition has increased by a total of 59.6% in tropical forests and croplands, which are N-rich biomes. Such characteristics may influence the effects on global carbon budgets.

  5. The influence of synoptic weather regimes on UK air quality: regional model studies of tropospheric column NO2

    NASA Astrophysics Data System (ADS)

    Pope, R. J.; Savage, N. H.; Chipperfield, M. P.; Ordóñez, C.; Neal, L. S.

    2015-07-01

    Synoptic meteorology can have a significant influence on UK air quality. Cyclonic (anticyclonic) conditions lead to the dispersion (accumulation) of air pollutants away from (over) source regions. Meteorology also modifies atmospheric chemistry processes such as photolysis and wet deposition. Previous studies have shown a relationship between observed satellite tropospheric column NO2 and synoptic meteorology in different seasons. Here, we test whether the UK Met Office Air Quality in the Unified Model (AQUM) can reproduce these observations and then use the model to determine the controlling factors. We show that AQUM successfully captures the observed relationships, when sampled under the Lamb Weather Types, an objective classification of midday UK circulation patterns. By using a range of idealised NOx-like tracers with different e-folding lifetimes, we show that under different synoptic regimes the NO2 lifetime in AQUM is approximately 6 h in summer and 12 h in winter. The longer lifetime can explain why synoptic spatial column NO2 variations are more significant in winter compared to summer, due to less NO2 photochemical loss. We also show that cyclonic conditions have more seasonality in column NO2 than anticyclonic conditions as they result in more extreme spatial departures from the wintertime seasonal average. Within a season (summer or winter) under different synoptic regimes, a large proportion of the spatial pattern in the UK column NO2 field can be explained by the idealised model tracers, showing that transport is an important factor in governing the variability of UK air quality on seasonal synoptic timescales.

  6. The effect of the isotope on the H-mode density limit

    NASA Astrophysics Data System (ADS)

    Huber, A.; Wiesen, S.; Bernert, M.; Brezinsek, S.; Chankin, A. V.; Sergienko, G.; Huber, V.; Abreu, P.; Boboc, A.; Brix, M.; Carralero, D.; Delabie, E.; Eich, T.; Esser, H. G.; Guillemaut, C.; Jachmich, S.; Joffrin, E.; Kallenbach, A.; Kruezi, U.; Lang, P.; Linsmeier, Ch.; Lowry, C. G.; Maggi, C. F.; Matthews, G. F.; Meigs, A. G.; Mertens, Ph.; Reimold, F.; Schweinzer, J.; Sips, G.; Stamp, M.; Viezzer, E.; Wischmeier, M.; Zohm, H.; contributors, JET; ASDEX Upgrade Team

    2017-08-01

    In order to understand the mechanisms for the H-mode density limit in machines with fully metallic walls, systematic investigations of H-mode density limit plasmas in experiments with deuterium and hydrogen external gas fuelling have been performed on JET-ILW. The observed H-mode density limit on JET in D- as well as in H-plasmas demonstrates similar operation phases: the stable H-mode phase, degrading H-mode, breakdown of the H-mode with energy confinement deterioration accompanied by a dithering cycling phase, followed by the L-mode phase. The density limit is not related to an inward collapse of the hot core plasma due to an overcooling of the plasma periphery by radiation. Indeed, independently of the isotopic effect, the total radiated power stay almost constant during the H-mode phase until the H-L back transition. It was observed in D- and H-plasmas that neither detachment, nor the X-point MARFE itself do trigger the H-L transition and that they thus do not present a limit on the plasma density. It is the plasma confinement, most likely determined by edge parameters, which is ultimately responsible for the H-mode DL. By comparing similar discharges but fuelled with either deuterium or hydrogen, we have found that the H-mode density limit exhibits a dependence on the isotope mass: the density limit is up to 35% lower in hydrogen compared to similar deuterium plasma conditions (the obtained density limit is in agreement with the Greenwald limit for D-plasma). In addition, the density limit is nearly independent of the applied power both in deuterium or hydrogen fuelling conditions. The measured Greenwald fractions are consistent with the predictions from a theoretical model based on an MHD instability theory in the near-SOL. The JET operational domains are significantly broadened when increasing the plasma effective mass (e.g. tritium or deuterium-tritium operation), i.e. the L to H power threshold is reduced whereas the density limit for the L-mode back

  7. Electronic structure and energetics of the tetragonal distortion for TiH2, ZrH2 and HfH2: a first principles study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Quijano, Ramiro; DeCoss, Romeo; Singh, David J

    2009-01-01

    The electronic structure and energetics of the tetragonal distortion for the fluorite-type dihydrides TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} are studied by means of highly accurate first-principles total-energy calculations. For HfH{sub 2}, in addition to the calculations using the scalar relativistic (SR) approximation, calculations including the spin-orbit coupling have also been performed. The results show that TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} in the cubic phase are unstable against tetragonal strain. For the three systems, the total energy shows two minima as a function of the c/a ratio with the lowest-energy minimum at c/a < 1 in agreementmore » with the experimental observations. The band structure of TiH{sub 2}, ZrH{sub 2}, and HfH{sub 2} (SR) around the Fermi level shows two common features along the two major symmetry directions of the Brillouin zone, {Lambda}?L and {Lambda}?K, a nearly flat doubly degenerate band, and a van Hove singularity, respectively. In cubic HfH{sub 2} the spin-orbit coupling lifts the degeneracy of the partially filled bands in the {Lambda}?L path, while the van Hove singularity in the {Lambda}?K path remains unchanged. The density of states of the three systems in the cubic phase shows a sharp peak at the Fermi level. We found that the tetragonal distortion produces a strong reduction in the density of states at the Fermi level resulting mainly from the splitting of the doubly-degenerate bands in the {Lambda}?L direction and the shift of the van Hove singularity to above the Fermi level. The validity of the Jahn-Teller model in explaining the tetragonal distortion in this group of dihydrides is discussed.« less

  8. A microfluidic chip with a staircase pH gradient generator, a packed column and a fraction collector for chromatofocusing of proteins.

    PubMed

    Rho, Hoon Suk; Hanke, Alexander Thomas; Ottens, Marcel; Gardeniers, Han J G E

    2018-04-01

    A microfluidic device for pH gradient chromatofocusing is presented, which performs creation of a micro-column, pH gradient generation, and fraction collection in a single device. Using a sieve micro-valve, anion exchange particles were packed into a microchannel in order to realize a solid-phase absorption column. To fractionate proteins according to their isoelectric points, elution buffer solutions with a stepwise pH gradient were prepared in 16 parallel mixing reactors and flowed through the micro-column, wherein a protein mixture was previously loaded. The volume of the column is only 20 nL, hence it allows extremely low sample consumption and fast analysis compared with a conventional system. We demonstrated separation of two proteins, albumin-fluorescein isothiocyanate conjugate (FITC-BSA) and R-Phycoerythrin (R-PE), by using a microcolumn of commercial charged polymeric particles (Source 15Q). The microfluidic device can be used as a rapid diagnostic tool to analyse crude mixtures of proteins or nucleic acids and determine adsorption/desorption characteristics of various biochemical products, which can be helpful for scientific fundamental understanding as well as instrumental in various industrial applications, especially in early stage screening and process development. © 2018 The Authors Electrophoresis Published by WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. High-resolution 2-deoxyglucose mapping of functional cortical columns in mouse barrel cortex.

    PubMed

    McCasland, J S; Woolsey, T A

    1988-12-22

    Cortical columns associated with barrels in layer IV of the somatosensory cortex were characterized by high-resolution 2-deoxy-D-glucose (2DG) autoradiography in freely behaving mice. The method demonstrates a more exact match between columnar labeling and cytoarchitectonic barrel boundaries than previously reported. The pattern of cortical activation seen with stimulation of a single whisker (third whisker in the middle row of large hairs--C3) was compared with the patterns from two control conditions--normal animals with all whiskers present ("positive control")--and with all large whiskers clipped ("negative control"). Two types of measurements were made from 2DG autoradiograms of tangential cortical sections: 1) labeled cells were identified by eye and tabulated with a computer, and 2) grain densities were obtained automatically with a computer-controlled microscope and image processor. We studied the fine-grained patterns of 2DG labeling in a nine-barrel grid with the C3 barrel in the center. From the analysis we draw five major conclusions. 1. Approximately 30-40% of the total number of neurons in the C3 barrel column are activated when only the C3 whisker is stimulated. This is about twice the number of neurons labeled in the C3 column when all whiskers are stimulated and about ten times the number of neurons labeled when all large whiskers are clipped. 2. There is evidence for a vertical functional organization within a barrel-related whisker column which has smaller dimensions in the tangential direction than a barrel. There are densely labeled patches within a barrel which are unique to an individual cortex. The same patchy pattern is found in the appropriate regions of sections above and below the barrels through the full thickness of the cortex. This functional arrangement could be considered to be a "minicolumn" or more likely a group of "minicolumns" (Mountcastle: In G.M. Edelman and U.B. Mountcastle (eds): The Material Brain: Cortical Organization

  10. Column NO2-total ozone-stratospheric temperature relationships associated with the Arctic and Antarctic ozone holes

    NASA Astrophysics Data System (ADS)

    Aheyeva, Viktoryia; Gruzdev, Aleksandr; Grishaev, Mikhail

    2011 for the Siberian stations are less than those for European stations. For comparison analysis, data of column NO2, total ozone and stratospheric temperature at the southern hemisphere (SH) stations of Dumont D’Urville (66.7°S, the Antarctic), Macquarie Island (54.5°S) and Kerguelen Island (49.3°S) (all stations are NDACC stations) were used. Correlation and regression coefficients between variations in column NO2 and total ozone as well as in column NO2 and stratospheric temperature for the winter-spring periods at the SH stations depend on the phase of the quasi-biennial oscillation (QBO) in the 30 hPa equatorial wind velocity. The correlation coefficients and the coefficients of regression of NO2 on ozone and temperature for the west QBO phase are large compared to those for the east phase. The 2011 Arctic ozone hole was observed during the west phase of the 30 hPa QBO. The calculated correlation coefficients at the NH stations for the winter-spring period of 2011 associated with the Arctic ozone hole are close to similar coefficients at the SH stations in winter-spring periods for the west QBO phase. The regression coefficients at the NH stations are less than those at the SH stations for the west QBO phase but greater than similar coefficients for the east phase. We can conclude that physico-chemical processes specific for ozone hole conditions cause spatial correlation between distribution of stratospheric NO2 and distributions of total ozone and temperature in polar and adjacent regions, which is generally stronger for stronger ozone deficit in a polar region. This results in significant time correlation between NO2, ozone and temperature at observation sites due to transport processes.

  11. An Erupting Active Region Filament: Three-Dimensional Trajectory and Hydrogen Column Density

    NASA Astrophysics Data System (ADS)

    Penn, M. J.

    2000-12-01

    .0 nm yields a column density ξ_H I =4.8+/-2.5×10^17 cm^-2. Spatial maps show that this filament absorption is more confined than the regions which show emission.

  12. Advanced intensity-modulation continuous-wave lidar techniques for ASCENDS CO2 column measurements

    NASA Astrophysics Data System (ADS)

    Campbell, Joel F.; Lin, Bing; Nehrir, Amin R.; Harrison, F. W.; Obland, Michael D.; Meadows, Byron

    2015-10-01

    Global atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity- Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud contamination. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating the need to correct for sidelobe bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These results are extended to include Richardson-Lucy deconvolution techniques to extend the resolution of the lidar beyond that implied by limit of the bandwidth of the modulation, where it is shown useful for making tree canopy measurements.

  13. Advanced Intensity-Modulation Continuous-Wave Lidar Techniques for ASCENDS O2 Column Measurements

    NASA Technical Reports Server (NTRS)

    Campbell, Joel F.; Lin, Bing; Nehrir, Amin R.; Harrison, F. Wallace; Obland, Michael D.; Meadows, Byron

    2015-01-01

    Global atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity- Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space to meet the ASCENDS measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) modulation technique to uniquely discriminate surface lidar returns from intermediate aerosol and cloud contamination. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating the need to correct for sidelobe bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that takes advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques. The BPSK technique under investigation has excellent auto-correlation properties while possessing a finite bandwidth. A comparison of BPSK and linear swept-frequency is also discussed in this paper. These results are extended to include Richardson-Lucy deconvolution techniques to extend the resolution of the lidar beyond that implied by limit of the bandwidth of the modulation, where it is shown useful for making tree canopy measurements.

  14. Near-Infrared Band Strengths of Molecules Diluted in N2 and H20 Ice Mixtures Relevant to Interstellar and Planetary Ices

    NASA Technical Reports Server (NTRS)

    Richey, C. R.; Richey, Christina R.

    2012-01-01

    In order to determine the column density of a component of an ice from its infrared absorption features, the strengths of these features must be known. The peak positions, widths, profiles, and strengths of a certain ice component's infrared absorption features are affected be the overall composition of the ice. Many satellites within the solar system have surfaces that are dominated by H2O or N2 and ices in the interstellar medium (ISM) are primarily composed of H2O. The experiments presented here focus on the near-infrared absorption features of CO, CO2, CH4, and NH3 (nu=10,000-4,000/cm, lambda=1-2.5 microns) and the effects of diluting these molecules in N2 or H2O ice (mixture ratio of 5:1). This is a continuation of previous results published by our research group.

  15. Electron stripping processes of H⁻ ion beam in the 80 kV high voltage extraction column and low energy beam transport line at LANSCE.

    PubMed

    Draganic, I N

    2016-02-01

    Basic vacuum calculations were performed for various operating conditions of the Los Alamos National Neutron Science H(-) Cockcroft-Walton (CW) injector and the Ion Source Test Stand (ISTS). The vacuum pressure was estimated for both the CW and ISTS at five different points: (1) inside the H(-) ion source, (2) in front of the Pierce electrode, (3) at the extraction electrode, (4) at the column electrode, and (5) at the ground electrode. A static vacuum analysis of residual gases and the working hydrogen gas was completed for the normal ion source working regime. Gas density and partial pressure were estimated for the injected hydrogen gas. The attenuation of H(-) beam current and generation of electron current in the high voltage acceleration columns and low energy beam transport lines were calculated. The interaction of H(-) ions on molecular hydrogen (H2) is discussed as a dominant collision process in describing electron stripping rates. These results are used to estimate the observed increase in the ratio of electrons to H(-) ion beam in the ISTS beam transport line.

  16. Star formation towards the Galactic H II region RCW 120. Herschel observations of compact sources

    NASA Astrophysics Data System (ADS)

    Figueira, M.; Zavagno, A.; Deharveng, L.; Russeil, D.; Anderson, L. D.; Men'shchikov, A.; Schneider, N.; Hill, T.; Motte, F.; Mège, P.; LeLeu, G.; Roussel, H.; Bernard, J.-P.; Traficante, A.; Paradis, D.; Tigé, J.; André, P.; Bontemps, S.; Abergel, A.

    2017-04-01

    Context. The expansion of H II regions can trigger the formation of stars. An overdensity of young stellar objects is observed at the edges of H II regions but the mechanisms that give rise to this phenomenon are not clearly identified. Moreover, it is difficult to establish a causal link between H II -region expansion and the star formation observed at the edges of these regions. A clear age gradient observed in the spatial distribution of young sources in the surrounding might be a strong argument in favor of triggering. Aims: We aim to characterize the star formation observed at the edges of H II regions by studying the properties of young stars that form there. We aim to detect young sources, derive their properties and their evolution stage in order to discuss the possible causal link between the first-generation massive stars that form the H II region and the young sources observed at their edges. Methods: We have observed the Galactic H II region RCW 120 with Herschel PACS and SPIRE photometers at 70, 100, 160, 250, 350 and 500 μm. We produced temperature and H2 column density maps and use the getsources algorithm to detect compact sources and measure their fluxes at Herschel wavelengths. We have complemented these fluxes with existing infrared data. Fitting their spectral energy distributions with a modified blackbody model, we derived their envelope dust temperature and envelope mass. We computed their bolometric luminosities and discuss their evolutionary stages. Results: The overall temperatures of the region (without background subtraction) range from 15 K to 24 K. The warmest regions are observed towards the ionized gas. The coldest regions are observed outside the ionized gas and follow the emission of the cold material previously detected at 870 μm and 1.3 mm. The H2 column density map reveals the distribution of the cold medium to be organized in filaments and highly structured. Column densities range from 7 × 1021 cm-2 up to 9 × 1023 cm-2

  17. The influence of synoptic weather regimes on UK air quality: regional model studies of tropospheric column NO2

    NASA Astrophysics Data System (ADS)

    Pope, R. J.; Savage, N. H.; Chipperfield, M. P.; Ordóñez, C.; Neal, L. S.

    2015-10-01

    Synoptic meteorology can have a significant influence on UK air quality. Cyclonic conditions lead to the dispersion of air pollutants away from source regions, while anticyclonic conditions lead to their accumulation over source regions. Meteorology also modifies atmospheric chemistry processes such as photolysis and wet deposition. Previous studies have shown a relationship between observed satellite tropospheric column NO2 and synoptic meteorology in different seasons. Here, we test whether the UK Met Office Air Quality in the Unified Model (AQUM) can reproduce these observations and then use the model to explore the relative importance of various factors. We show that AQUM successfully captures the observed relationships when sampled under the Lamb weather types, an objective classification of midday UK circulation patterns. By using a range of idealized NOx-like tracers with different e-folding lifetimes, we show that under different synoptic regimes the NO2 lifetime in AQUM is approximately 6 h in summer and 12 h in winter. The longer lifetime can explain why synoptic spatial tropospheric column NO2 variations are more significant in winter compared to summer, due to less NO2 photochemical loss. We also show that cyclonic conditions have more seasonality in tropospheric column NO2 than anticyclonic conditions as they result in more extreme spatial departures from the wintertime seasonal average. Within a season (summer or winter) under different synoptic regimes, a large proportion of the spatial pattern in the UK tropospheric column NO2 field can be explained by the idealized model tracers, showing that transport is an important factor in governing the variability of UK air quality on seasonal synoptic timescales.

  18. Intensity Modulation Techniques for Continuous-Wave Lidar for Column CO2 Measurements

    NASA Astrophysics Data System (ADS)

    Campbell, J. F.; Lin, B.; Obland, M. D.; Kooi, S. A.; Fan, T. F.; Meadows, B.; Browell, E. V.; Erxleben, W. H.; McGregor, D.; Dobler, J. T.; Pal, S.; O'Dell, C.

    2017-12-01

    Global and regional atmospheric carbon dioxide (CO2) measurements for the NASA Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) space mission and the Atmospheric Carbon and Transport (ACT) - America project are critical for improving our understanding of global CO2 sources and sinks. Advanced Intensity-Modulated Continuous-Wave (IM-CW) lidar techniques are investigated as a means of facilitating CO2 measurements from space and airborne platforms to meet the ASCENDS and ACT-America science measurement requirements. In recent numerical, laboratory and flight experiments we have successfully used the Binary Phase Shift Keying (BPSK) and Linear Swept Frequency modulations to uniquely discriminate surface lidar returns from intermediate aerosol and cloud returns. We demonstrate the utility of BPSK to eliminate sidelobes in the range profile as a means of making Integrated Path Differential Absorption (IPDA) column CO2 measurements in the presence of optically thin clouds, thereby eliminating bias errors caused by the clouds. Furthermore, high accuracy and precision ranging to the surface as well as to the top of intermediate cloud layers, which is a requirement for the inversion of column CO2 number density measurements to column CO2 mixing ratios, has been demonstrated using new hyperfine interpolation techniques that take advantage of the periodicity of the modulation waveforms. This approach works well for both BPSK and linear swept-frequency modulation techniques and provides very high (at sub-meter level) range resolution. We compare BPSK to linear swept frequency and introduce a new technique to eliminate sidelobes in situations from linear swept frequency where the SNR is high with results that rival BPSK. We also investigate the effects of non-linear modulators, which can in some circumstances degrade the orthogonality of the waveforms, and show how to avoid this. These techniques are used in a new data processing architecture written in

  19. "Ring rain" on Saturn's ionosphere: densities and temperatures from 2011 observations and re-detection in 2013 observations

    NASA Astrophysics Data System (ADS)

    O'Donoghue, J.; Moore, L.; Melin, H.; Connerney, J. E. P.; Oliversen, R. J.

    2017-12-01

    In ground-based observations using the 10 meter W. M. Keck telescope in 2011, we discovered that the "ring rain" which falls on Saturn from the rings (along magnetic field lines) leaves an imprint on the upper-atmospheric H3+ ion. H3+ emissions were brightest where water products are expected to fall. Through subsequent modeling of the upper atmosphere, it became clear that an influx of water products (e.g. H2O+, O+, etc.) would act to soak up electrons - something that would otherwise destroy H3+ through recombination - and lead to a higher H3+ density and therefore emission. Here we present the first re-detections of the imprint of "ring rain" on Saturn's ionospheric H3+ from ground-based Keck telescope data from 2013. Observed intensities at low-latitudes decreased by an order of magnitude from 2011 to 2013, likely due to a decrease in upper atmospheric temperature by 100 K. A new analysis of 2011 observations revealed temperatures and densities as a function of latitude on Saturn for the first time. Where water influx is expected, H3+ column densities are high (as models predicted) and temperatures are low. While the latter was unexpected, the effect of ring rain on electron densities is stronger at lower altitudes. Therefore, as ring rain enhances density at lower altitudes where the temperature is lower, it should result in the emitting column of H3+ having a lower average temperature. These results come at a critical time as the Cassini spacecraft completes all orbits between planet and rings, with the opportunity to sample the forces and material fluxes related to ring rain.

  20. Converter slag-coal cinder columns for the removal of phosphorous and other pollutants.

    PubMed

    Yang, Jian; Wang, Su; Lu, Zhibo; Yang, Jian; Lou, Shanjie

    2009-08-30

    A mixture of converter slag and coal cinder as adsorbent for the removal of phosphorous and other pollutants was studied in the paper. The maximum P adsorption capacity, pH of solution, contact time and initial phosphate concentration were evaluated in batch experiments for the two materials firstly. The data of P sorption were best fitted to Langumir equation, and the maximum adsorption capacities of converter slag and coal cinder were 2.417 and 0.398 mg P/g, respectively. The pH of solutions with converter slag and coal cinder changed dramatically with time and closed to 8 in 8h, and the influence of initial pH on phosphate removal by coal cinder was more significant than by converter slag. Phosphate removal rate by converter slag decreased with increase of initial phosphate concentrations. Subsequently, two flow-through columns (Column 1#, V(converter slag):V(coal cinder)=1:5; Column 2#, V(converter slag):V(coal cinder)=1:3) were operated for the removal of phosphorous and other pollutants from the effluents of a vermifilter for nearly eleven months. Results indicated the average removal efficiency of total phosphorus, dissolved phosphorus, COD and NH(4)(+)-N by Column 1# were 44%, 56%, 31% and 67%, and by Column 2# were 42%, 54%, 24% and 57%, respectively. Column 1# had higher removal efficiency for P and other pollutants.

  1. D/H Toward BD+28 4211: First FUSE Results

    NASA Technical Reports Server (NTRS)

    Sonneborne, George; Andre, M.; Oliveira, C.; Friedman, S. D.; Howk, J. C.; Kruk, J. W.; Moos, H. W.; Oegerle, W. R.; Sembach, K. R.; Chayer, P.; hide

    2001-01-01

    The atomic deuterium-to-hydrogen abundance ratio has been evaluated for the sight line toward the hot O subdwarf BD+28(sup circ) 4211. High signal-to-noise ratio (S/N is approx. 100) observations covering the wavelength range 905 to 1187 angstroms at a wavelength resolving power of lambda/Delta/lambda at approx. 20,000 were obtained with the Far Ultraviolet Spectroscopic Explorer (FUSE) satellite. BD+28(sup circ) 4211 is approx. 00 pc away with a total H I column density of approx. 10(exp 19)/sq cm, much higher than is typically found in the local interstellar medium (ISM). The deuterium column density was measured by analyzing several D I Lyman series transitions (Lyman delta, C, epsilon, eta, theta, iota with curve of growth and profile fitting techniques, after determining which lines were free of interference from other interstellar species and narrow stellar features. The neutral hydrogen column density was measured by an analysis of the Lyman-alpha profile using HST/Space Telescope Imaging Spectrograph (STIS) and Goddard High Resolution Spectrograph (GHRS) spectra. The stellar spectrum of BD+28(sup circ) 4211 was modelled to assist in determining the sensitivity of H I (Ly-alpha) and D I to the continuum placement and to identify stellar transitions. The D I and H I column densities, their uncertainties, and potential sources of systematic error will be presented. This work is based on data obtained for the FUSE Guaranteed Time Team by the NASA-CNES-CSA FUSE mission operated by the Johns Hopkins University. Financial support to U. S. participants has been provided in part by NASA contract NAS5-32985.

  2. The natural emergence of the correlation between H2 and star formation rate surface densities in galaxy simulations

    NASA Astrophysics Data System (ADS)

    Lupi, Alessandro; Bovino, Stefano; Capelo, Pedro R.; Volonteri, Marta; Silk, Joseph

    2018-03-01

    In this study, we present a suite of high-resolution numerical simulations of an isolated galaxy to test a sub-grid framework to consistently follow the formation and dissociation of H2 with non-equilibrium chemistry. The latter is solved via the package KROME, coupled to the mesh-less hydrodynamic code GIZMO. We include the effect of star formation (SF), modelled with a physically motivated prescription independent of H2, supernova feedback and mass-losses from low-mass stars, extragalactic and local stellar radiation, and dust and H2 shielding, to investigate the emergence of the observed correlation between H2 and SF rate surface densities. We present two different sub-grid models and compare them with on-the-fly radiative transfer (RT) calculations, to assess the main differences and limits of the different approaches. We also discuss a sub-grid clumping factor model to enhance the H2 formation, consistent with our SF prescription, which is crucial, at the achieved resolution, to reproduce the correlation with H2. We find that both sub-grid models perform very well relative to the RT simulation, giving comparable results, with moderate differences, but at much lower computational cost. We also find that, while the Kennicutt-Schmidt relation for the total gas is not strongly affected by the different ingredients included in the simulations, the H2-based counterpart is much more sensitive, because of the crucial role played by the dissociating radiative flux and the gas shielding.

  3. Characterization and optimization of cathodic conditions for H2O2 synthesis in microbial electrochemical cells.

    PubMed

    Sim, Junyoung; An, Junyeong; Elbeshbishy, Elsayed; Ryu, Hodon; Lee, Hyung-Sool

    2015-11-01

    Cathode potential and O2 supply methods were investigated to improve H2O2 synthesis in an electrochemical cell, and optimal cathode conditions were applied for microbial electrochemical cells (MECs). Using aqueous O2 for the cathode significantly improved current density, but H2O2 conversion efficiency was negligible at 0.3-12%. Current density decreased for passive O2 diffusion to the cathode, but H2O2 conversion efficiency increased by 65%. An MEC equipped with a gas diffusion cathode was operated with acetate medium and domestic wastewater, which presented relatively high H2O2 conversion efficiency from 36% to 47%, although cathode overpotential was fluctuated. Due to different current densities, the maximum H2O2 production rate was 141 mg H2O2/L-h in the MEC fed with acetate medium, but it became low at 6 mg H2O2/L-h in the MEC fed with the wastewater. Our study clearly indicates that improving anodic current density and mitigating membrane fouling would be key parameters for large-scale H2O2-MECs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Precipitated Silica from Pumice and Carbon Dioxide Gas (Co2) in Bubble Column Reactor

    NASA Astrophysics Data System (ADS)

    Dewati, R.; Suprihatin, S.; Sumada, K.; Muljani, S.; Familya, M.; Ariani, S.

    2018-01-01

    Precipitated silica from silica and carbon dioxide gas has been studied successfully. The source of silica was obtained from pumice stone while precipitation process was carried out with carbon dioxide gas (CO2). The sodium silicate solution was obtained by extracting the silica from pumice stone with sodium hydroxide (NaOH) solution and heated to 100 °C for 1 h. The carbon dioxide gas is injected into the aqueous solution of sodium silicate in a bubble column reactor to form precipitated silica. m2/g. The results indicate that the products obtained are precipitate silica have surface area in the range of 100 - 227 m2/g, silica concentration more than 80%, white in appearance, and silica concentration reached 90% at pH 7.

  5. TCE degradation in groundwater by chelators-assisted Fenton-like reaction of magnetite: Sand columns demonstration.

    PubMed

    Jia, Daqing; Sun, Sheng-Peng; Wu, Zhangxiong; Wang, Na; Jin, Yaoyao; Dong, Weiyang; Chen, Xiao Dong; Ke, Qiang

    2018-03-15

    Trichloroethylene (TCE) degradation in sand columns has been investigated to evaluate the potential of chelates-enhanced Fenton-like reaction with magnetite as iron source for in situ treatment of TCE-contaminated groundwater. The results showed that successful degradation of TCE in sand columns was obtained by nitrilotriacetic acid (NTA)-assisted Fenton-like reaction of magnetite. Addition of ethylenediaminedisuccinic acid (EDDS) resulted in an inhibitory effect on TCE degradation in sand columns. Similar to EDDS, addition of ethylenediaminetetraacetic acid (EDTA) also led to an inhibition of TCE degradation in sand column with small content of magnetite (0.5 w.t.%), but enhanced TCE degradation in sand column with high content of magnetite (7.0 w.t.%). Additionally, the presence of NTA, EDDS and EDTA greatly decreased H 2 O 2 uptake in sand columns due to the competition between chelates and H 2 O 2 for surface sites on magnetite (and sand). Furthermore, the presented results show that magnetite in sand columns remained stable in a long period operation of 230 days without significant loss of performance in terms of TCE degradation and H 2 O 2 uptake. Moreover, it was found that TCE was degraded mainly to formic acid and chloride ion, and the formation of chlorinated organic intermediates was minimal by this process. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. The MOVPE growth mechanism of catalyst-free self-organized GaN columns in H2 and N2 carrier gases

    NASA Astrophysics Data System (ADS)

    Wang, Xue; Jahn, Uwe; Ledig, Johannes; Wehmann, Hergo-H.; Mandl, Martin; Straßburg, Martin; Waag, Andreas

    2013-12-01

    Columnar structures of III-V semiconductors recently attract considerable attention because of their potential applications in novel optoelectronic and electronic devices. In the present study, the mechanisms for the growth of catalyst-free self-organized GaN columns on sapphire substrate by metal organic vapor phase epitaxy have been thoroughly investigated. The growth behaviours are strongly affected by the choice of carrier gas. If pure nitrogen is used, Ga droplets are able to accumulate on the top of columns during growth, and they are converted into a high quality GaN layer during the cool down phase due to nitridation. Hydrogen as the carrier gas can improve the optical quality of the overall GaN columns substantially, and in addition increase the vertical growth rate. In this case, no indication of Ga droplets could be detected. Furthermore, silane doping during the growth promotes the vertical growth in both cases either pure nitrogen or pure hydrogen as the carrier gas.

  7. Ground-based observations of Saturn's auroral ionosphere over three days: Trends in H3+ temperature, density and emission with Saturn local time and planetary period oscillation

    NASA Astrophysics Data System (ADS)

    O'Donoghue, James; Melin, Henrik; Stallard, Tom S.; Provan, G.; Moore, Luke; Badman, Sarah V.; Cowley, Stan W. H.; Baines, Kevin H.; Miller, Steve; Blake, James S. D.

    2016-01-01

    On 19-21 April 2013, the ground-based 10-m W.M. Keck II telescope was used to simultaneously measure H3+ emissions from four regions of Saturn's auroral ionosphere: (1) the northern noon region of the main auroral oval; (2) the northern midnight main oval; (3) the northern polar cap and (4) the southern noon main oval. The H3+ emission from these regions was captured in the form of high resolution spectral images as the planet rotated. The results herein contain twenty-three H3+ temperatures, column densities and total emissions located in the aforementioned regions - ninety-two data points in total, spread over timescales of both hours and days. Thermospheric temperatures in the spring-time northern main oval are found to be cooler than their autumn-time southern counterparts by tens of K, consistent with the hypothesis that the total thermospheric heating rate is inversely proportional to magnetic field strength. The main oval H3+ density and emission is lower at northern midnight than it is at noon, in agreement with a nearby peak in the electron influx in the post-dawn sector and a minimum flux at midnight. Finally, when arranging the northern main oval H3+ parameters as a function of the oscillation period seen in Saturn's magnetic field - the planetary period oscillation (PPO) phase - we see a large peak in H3+ density and emission at ∼115° northern phase, with a full-width at half-maximum (FWHM) of ∼44°. This seems to indicate that the influx of electrons associated with the PPO phase at 90° is responsible at least in part for the behavior of all H3+ parameters. A combination of the H3+ production and loss timescales and the ±10° uncertainty in the location of a given PPO phase are likely, at least in part, to be responsible for the observed peaks in H3+ density and emission occurring at a later time than the peak precipitation expected at 90° PPO phase.

  8. Hyperfine excitation of C2H and C2D by para-H2

    NASA Astrophysics Data System (ADS)

    Dumouchel, Fabien; Lique, François; Spielfiedel, Annie; Feautrier, Nicole

    2017-10-01

    The [C2H]/[C2D] abundance ratio is a useful tool to explore the physical and chemical conditions of cold molecular clouds. Hence, an accurate determination of both the C2H and C2D abundances is of fundamental interest. Due to the low density of the interstellar medium, the population of the energy levels of the molecules is not at local thermodynamical equilibrium. Thus, the accurate modelling of the emission spectra requires the calculation of collisional rate coefficients with the most abundant interstellar species. Hence, we provide rate coefficients for the hyperfine excitation of C2H and C2D by para-H2(j=0), the most abundant collisional partner in cold molecular clouds. State-to-state rate coefficients between the lowest levels were computed for temperatures ranging from 5 to 80 K. For both isotopologues, the Δj = ΔF propensity rule is observed. The comparison between C2H and C2D rate coefficients shows that differences by up to a factor of two exist, mainly for Δj = ΔN = 1 transitions. The new rate coefficients will significantly help in the interpretation of recent observed spectra.

  9. DIRECT DETERMINATION OF THE HF/H{sub 2} ABUNDANCE RATIO IN INTERSTELLAR GAS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Indriolo, Nick; Neufeld, D. A.; Seifahrt, A.

    2013-02-20

    We report the first detection of the v = 1-0, R(0) ro-vibrational transition of HF at 2.499385 {mu}m arising from interstellar gas. The line is seen in absorption toward three background sources-HD 154368, Elias 29, and AFGL 2136 IRS 1-all of which have reported H{sub 2} column densities determined from observations of H{sub 2}. This allows for the first direct determination of the HF/H{sub 2} abundance ratio. We find values of N(HF)/N(H{sub 2}) = 1.15 Multiplication-Sign 10{sup -8} and 0.69 Multiplication-Sign 10{sup -8} for HD 154368 and Elias 29, respectively. The sight line toward AFGL 2136 IRS 1 also showsmore » absorption from the v = 1-0, R(1) transition of HF, indicating warm, dense (n {sub H} {approx}> 10{sup 9} cm{sup -3}) gas, likely very close to the central protostar. Ascribing portions of the HF absorption to warm and cold gas, we find N(HF)/N(H{sub 2}) = (1.7-2.9) Multiplication-Sign 10{sup -8} and (0.33-0.58) Multiplication-Sign 10{sup -8} for the two components, respectively. Except for the warm component toward AFGL 2136 IRS 1, all observed HF/H{sub 2} ratios are well below N(HF)/N(H{sub 2}) = 3.6 Multiplication-Sign 10{sup -8}, the value predicted if nearly all gas phase fluorine is in the form of HF. Models of fluorine chemistry that account for depletion onto grains are able to reproduce the results toward HD 154368, but not in the cold, dense gas toward AFGL 2136 IRS 1 and Elias 29. Most likely, some combinations of simplifying assumptions made in the chemical models are responsible for these discrepancies.« less

  10. Aspartic acid incorporated monolithic columns for affinity glycoprotein purification.

    PubMed

    Armutcu, Canan; Bereli, Nilay; Bayram, Engin; Uzun, Lokman; Say, Rıdvan; Denizli, Adil

    2014-02-01

    Novel aspartic acid incorporated monolithic columns were prepared to efficiently affinity purify immunoglobulin G (IgG) from human plasma. The monolithic columns were synthesised in a stainless steel HPLC column (20 cm × 5 mm id) by in situ bulk polymerisation of N-methacryloyl-L-aspartic acid (MAAsp), a polymerisable derivative of L-aspartic acid, and 2-hydroxyethyl methacrylate (HEMA). Monolithic columns [poly(2-hydroxyethyl methacrylate-N-methacryloyl-L-aspartic acid) (PHEMAsp)] were characterised by swelling studies, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The monolithic columns were used for IgG adsorption/desorption from aqueous solutions and human plasma. The IgG adsorption depended on the buffer type, and the maximum IgG adsorption from aqueous solution in phosphate buffer was 0.085 mg/g at pH 6.0. The monolithic columns allowed for one-step IgG purification with a negligible capacity decrease after ten adsorption-desorption cycles. Copyright © 2013 Elsevier B.V. All rights reserved.

  11. Impacts of Geomagnetic Storms on the Terrestrial H-Exosphere Using Twins-Lyman Stereo Data

    NASA Astrophysics Data System (ADS)

    Nass, U.; Zoennchen, J.; Fahr, H. J.; Goldstein, J.

    2015-12-01

    Based on continuously monitored Lyman-alpha data registered by the TWINS1/2-LAD instruments we have studied the impact of a weaker and a stronger geomagnetic storm on the exospheric H-density distribution between heights of 3--8 Earth-radii. As is well known, solar Lyman-alpha radiation is resonantly backscattered from geocoronal neutral hydrogen (H). The resulting resonance glow intensity in the optically thin regime is proportional to H column density along the line of sight (LOS). Here we present the terrestrial exospheric response to geomagnetic storms. We quantify the reaction to geomagnetic activity in form of amplitude and temporal response of the H-density, sampled at different geocentric distances. We find that even in case of a weak storm, the exospheric H-density in regions above the exobase reacts with a suprisingly large increase in a remarkably short time period of less than half a day. Careful analysis of this geomagnetic density effect indicates that it is an expansion in the radial scale height of the exospheric H-density, developing from exobasic heights.

  12. Identification and measurement of atmospheric ethane (C2H6) from a 1951 infrared solar spectrum

    NASA Technical Reports Server (NTRS)

    Rinsland, Curtis P.; Levine, Joel S.

    1986-01-01

    C2H6 absorption features in the 2980/cm spectral region of the solar spectrum recorded in April, 1951 were analyzed to determine the total vertical column amount and average free tropospheric mixing ratio of C2H6 above Jungfraujoch in the Swiss Alps. The PQ1 subbranch is the best isolated of the three C2H6 features in the 1951 spectrum, with an equivalent width of 0.0099 + or - 0.0025/cm. Results give a total vertical column amount of 9.7 x 10 to the 15th C2H6 molecules/sq cm, with an accuracy of + or - 30 percent. March 1981 measurements from this region give a mixing ratio of about 2.0 ppbv, 2.2 times larger than the 1951 value, suggesting a long-term increase in the free tropospheric C2H6 concentration over western Europe.

  13. Evaluation of columns packed with shell particles with compounds of pharmaceutical interest.

    PubMed

    Ruta, Joséphine; Zurlino, Daria; Grivel, Candice; Heinisch, Sabine; Veuthey, Jean-Luc; Guillarme, Davy

    2012-03-09

    The commercial C18 columns packed with sub-3 μm shell particles were tested and compared to a reference UHPLC column, in terms of kinetic performance as well as selectivity, retention capability, peak shape and loading capacity. For this purpose, a set of pharmaceutically relevant molecules was selected, including acidic, neutral and basic drugs. Regarding kinetic performance, h(opt) values for the shell particles were found between 1.7 and 2, while the UHPLC column provided a value of approximately 2.5. However, this impressive performance should be considered with caution, particularly for the construction of kinetic plots since h(opt) values were sometimes related to the column dimensions, depending on the provider (h(opt) comprised between 1.8 and 2.6 for longer columns of 150 mm packed with shell particles). Despite the non-porous inner core of the shell particles representing between 25 and 36% of the particle, we demonstrated that the decrease in retention was on the maximum equal to 15% for Ascentis column while Acquity and Poroshell were strictly equivalent in terms of retention. Concerning loading capacity, it remains comparable to that of fully porous sub-2 μm particles and always more pronounced with 0.1% formic acid vs. phosphate buffer. The loading capacity of the different columns was found to be better correlated to the pore volume or surface coverage than the shell thickness. Experimentally, the most pronounced overloading was observed with the Poroshell. Finally, the selectivity and peak shape were evaluated using a mixture of basic and acidic drugs. It appears that results were very similar between sub-3 μm shell particles and fully porous sub-2-μm particles for our mixture of compounds, showing the ability to transfer existing methods to shell particles, with only limited adjustments. This study confirms the potential of columns packed with shell particles and demonstrates the interest of such column technology with pharmaceutical compounds

  14. [Pb(H2O)]2+ and [Pb(OH)]+: four-component density functional theory calculations, correlated scalar relativistic constrained-space orbital variation energy decompositions, and topological analysis.

    PubMed

    Gourlaouen, Christophe; Piquemal, Jean-Philip; Parisel, Olivier

    2006-05-07

    Within the scope of studying the molecular implications of the Pb(2+) cation in environmental and polluting processes, this paper reports Hartree-Fock and density functional theory (B3LYP) four-component relativistic calculations using an all-electron basis set applied to [Pb(H(2)O)](2+) and [Pb(OH)](+), two complexes expected to be found in the terrestrial atmosphere. It is shown that full-relativistic calculations validate the use of scalar relativistic approaches within the framework of density functional theory. [Pb(H(2)O)](2+) is found C(2v) at any level of calculations whereas [Pb(OH)](+) can be found bent or linear depending of the computational methodology used. When C(s) is found the barrier to inversion through the C(infinityv) structure is very low, and can be overcome at high enough temperature, making the molecule floppy. In order to get a better understanding of the bonding occurring between the Pb(2+) cation and the H(2)O and OH(-) ligands, natural bond orbital and atoms-in-molecule calculations have been performed. These approaches are supplemented by a topological analysis of the electron localization function. Finally, the description of these complexes is refined using constrained-space orbital variation complexation energy decompositions.

  15. Triazine herbicide imprinted monolithic column for capillary electrochromatography.

    PubMed

    Aşır, Süleyman; Derazshamshir, Ali; Yılmaz, Fatma; Denizli, Adil

    2015-12-01

    Trietazine was selectively separated from aqueous solution containing the competitor molecule cyanazine, which is similar in size and shape to the template molecule. Structural features of the molecularly imprinted column were figured out by SEM. The influence of the mobile-phase composition, applied electrical field, and pH of the mobile phase on the recognition of trietazine by the imprinted monolithic polymer has been evaluated, and the imprint effect in the trietazine-imprinted monolithic polymer was demonstrated by an imprinting factor. The optimized monolithic column resulted in separation of trietazine from a structurally related competitor molecule, cyanazine. In addition, fast separation was obtained within 6 min by applying higher electrical field, with the electrophoretic mobility of 2.97 × 10(-8) m(2) V(-1) s(-1) at pH 11.0. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Particle-in-cell simulations of bounded plasma discharges applied to low pressure high density sources and positive columns

    NASA Astrophysics Data System (ADS)

    Kawamura, Emi

    Particle-in-cell (PIC) simulations of bounded plasma discharges are attractive because the fields and the particle motion can be obtained self-consistently from first principles. Thus, we can accurately model a wide range of nonlocal and kinetic behavior. The only disadvantage is that PIC may be computationally expensive compared to other methods. Fluid codes, for example, may run faster but make assumptions about the bulk plasma velocity distributions and ignore kinetic effects. In Chapter 1, we demonstrate methods of accelerating PIC simulations of bounded plasma discharges. We find that a combination of physical and numerical methods makes run-times for PIC codes much more competitive with other types of codes. In processing plasmas, the ion energy distributions (IEDs) arriving at the wafer target are crucial in determining ion anisotropy and etch rates. The current trend for plasma reactors is towards lower gas pressure and higher plasma density. In Chapter 2, we review and analyze IEDs arriving at the target of low pressure high density rf plasma reactors. In these reactors, the sheath is typically collisionless. We then perform PIC simulations of collisionless rf sheaths and find that the key parameter governing the shape of the TED at the wafer is the ratio of the ion transit time across the sheath over the rf period. Positive columns are the source of illumination in fluorescent mercury-argon lamps. The efficiency of light production increases with decreasing gas pressure and decreasing discharge radius. Most current lamp software is based on the local concept even though low pressure lighting discharges tend to be nonlocal. In Chapter 3, we demonstrate a 1d3v radial PIC model to conduct nonlocal kinetic simulations of low pressure, small radius positive columns. When compared to other available codes, we find that our PIC code makes the least approximations and assumptions and is accurate and stable over a wider parameter range. We analyze the PIC

  17. Half-metallicity in the ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O: Ab initio study

    NASA Astrophysics Data System (ADS)

    Li, N.; Yao, K. L.; Zhong, G. H.; Ching, W. Y.

    2013-03-01

    The density-functional theory (DFT) within the full potential linearized augmented plane wave (FPLAPW) method is applied to study the two-dimensional achiral soft ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6]·H2O. The phase stability, electronic structure, magnetic and conducting properties are investigated. Our results reveal that the compound has a stable ferrimagnetic ground state in good agreement with the experiment. From the spin density distribution, the spin magnetic moment of the compound is mainly from Cr3+ and Mn2+ ions with small contributions from the oxygen, nitrogen and carbon ions. The calculated electronic band structure predicts the compound to be a half-metal with the spin magnetic moment of 1.000 μB per molecule.

  18. Predicting possible effects of H2S impurity on CO2 transportation and geological storage.

    PubMed

    Ji, Xiaoyan; Zhu, Chen

    2013-01-02

    For CO(2) geological storage, permitting impurities, such as H(2)S, in CO(2) streams can lead to a great potential for capital and energy savings for CO(2) capture and separation, but it also increases costs and risk management for transportation and storage. To evaluate the cost-benefits, using a recently developed model (Ji, X.; Zhu, C. Geochim. Cosmochim. Acta 2012, 91, 40-59), this study predicts phase equilibria and thermodynamic properties of the system H(2)S-CO(2)-H(2)O-NaCl under transportation and storage conditions and discusses potential effects of H(2)S on transportation and storage. The prediction shows that inclusion of H(2)S in CO(2) streams may lead to two-phase flow. For H(2)S-CO(2) mixtures, at a given temperature, the bubble and dew pressures decrease with increasing H(2)S content, while the mass density increases at low pressures and decreases at high pressures. For the CO(2)-H(2)S-H(2)O system, the total gas solubility increases while the mass density of the aqueous solution with dissolved gas decreases. For the CO(2)-H(2)S-H(2)O-NaCl system, at a given temperature, pressure and NaCl concentration, the solubility of the gas mixture in aqueous phase increases with increasing H(2)S content and then decreases, while the mass density of aqueous solution decreases and may be lower than the mass density of the solution without gas dissolution.

  19. Modelling of c-C2H4O Formation on Grain-Surfaces

    NASA Astrophysics Data System (ADS)

    Occhiogrosso, Angela; Viti, S.; Ward, M. D.; Price, S. D.

    2013-01-01

    Ethylene oxide (c-C2H4O) is a ring-shaped organic compound that may lead to the synthesis of amino acids and the early metabolic pathways in the interstellar medium (ISM) (Cleaves 2003; Miller & Schlesinger 1993). This molecule has been detected towards several high-mass star forming regions (Ikeda et al. 2001) but to date, its observational abundances cannot be reproduced by chemical models. We include new experimental results in the UCL_CHEM chemical model with the aim of reproducing the abundances of ethylene oxide across high-mass sources. In particular, we focused on the solid state reaction investigated by Ward & Price (2011). By comparing our theoretical column densities with those from the observations we found that the reaction between atomic oxygen and ethylene on grains is a viable route of formation for ethylene oxide (Occhiogrosso et al., accepted by MNRAS).

  20. Solid H2 in the interstellar medium

    NASA Astrophysics Data System (ADS)

    Füglistaler, A.; Pfenniger, D.

    2018-06-01

    Context. Condensation of H2 in the interstellar medium (ISM) has long been seen as a possibility, either by deposition on dust grains or thanks to a phase transition combined with self-gravity. H2 condensation might explain the observed low efficiency of star formation and might help to hide baryons in spiral galaxies. Aims: Our aim is to quantify the solid fraction of H2 in the ISM due to a phase transition including self-gravity for different densities and temperatures in order to use the results in more complex simulations of the ISM as subgrid physics. Methods: We used molecular dynamics simulations of fluids at different temperatures and densities to study the formation of solids. Once the simulations reached a steady state, we calculated the solid mass fraction, energy increase, and timescales. By determining the power laws measured over several orders of magnitude, we extrapolated to lower densities the higher density fluids that can be simulated with current computers. Results: The solid fraction and energy increase of fluids in a phase transition are above 0.1 and do not follow a power law. Fluids out of a phase transition are still forming a small amount of solids due to chance encounters of molecules. The solid mass fraction and energy increase of these fluids are linearly dependent on density and can easily be extrapolated. The timescale is below one second, the condensation can be considered instantaneous. Conclusions: The presence of solid H2 grains has important dynamic implications on the ISM as they may be the building blocks for larger solid bodies when gravity is included. We provide the solid mass fraction, energy increase, and timescales for high density fluids and extrapolation laws for lower densities.

  1. [Column chromatography purification and analysis of biodiesel by transesterification].

    PubMed

    Liu, Yang; Yi, Huai-feng; Chen, Yu; Wu, Yu-long; Yang, Ming-de; Chen, Zeng; Tong, Jun-mao

    2012-02-01

    In the present paper, crude biodiesel prepared with sorbifolia oil as raw material by transesterification was purified by column chromatography, then the composition of biodiesel was analyzed by gas chromatography, FTIR, GC-MS and 1H NMR. Column chromatography can separate the crude biodiesel into two fractions: petroleum ether eluted fraction (A1) and methanol eluted fraction (A2). Petroleum ether eluted fraction was mainly biodiesel fraction, which was produced from sorbifolia oil by transesterification, including methyl linoleate, methyl cis-9-octadecenoate and so on; methanol eluted fraction was mainly glycerol fraction, which came from the side reaction of transesterification. The results show that the purity of refined biodiesel increased from 77.51% to 93.872, and the product recovery rate reached up to 91.04% after the purification by column chromatography. The results obtained by FTIR and 1H NMR further showed that the column chromatography can effectively improve the purity of biodiesel. This paper provides a basis for industrialization of purification of biodiesel.

  2. Operational trace gas column observations from GOME-2 on MetOp

    NASA Astrophysics Data System (ADS)

    Valks, Pieter; Hao, Nan; Pinardi, Gaia; Hedelt, Pascal; Liu, Song; Van Roozendael, Michel; De Smedt, Isabelle; Theys, Nicolas; Koukouli, MariLiza; Balis, Dimitris

    2017-04-01

    This contribution focuses on the operational GOME-2 trace gas column products developed in the framework of EUMETSAT's Satellite Application Facility on Atmospheric Composition Monitoring (AC-SAF). We present an overview of the retrieval algorithms for ozone, OClO, NO2, SO2 and formaldehyde, and we show examples of various applications such as air quality and climate monitoring, using observations from the GOME-2 instruments on MetOp-A and MetOp-B. Total ozone and the minor trace gas columns from GOME-2 are retrieved with the latest version 4.8 of the GOME Data Processor (GDP), which uses an optimized Differential Optical Absorption Spectroscopy (DOAS) algorithm, with air mass factor conversions based on the LIDORT model. Improved total and tropospheric NO2 columns are retrieved in the visible wavelength region between 425 and 497 nm. SO2 emissions from volcanic and anthropogenic sources can be measured by GOME-2 using the UV wavelength region around 320 nm. For formaldehyde, an optimal DOAS fitting window around 335 nm has been determined for GOME-2. The GOME-2 trace gas columns have reached the operational EUMETSAT product status, and are available to the users in near real time (within two hours after sensing by GOME-2). The use of trace gas observations from the GOME-2 instruments on MetOp-A and MetOp-B for air quality purposed will be illustrated, e.g. for South-East Asia and Europe. Furthermore, comparisons of the GOME-2 satellite observations with ground-based measurements will be shown. Finally, the use of GOME-2 trace-gas column data in the Copernicus Atmosphere Monitoring Service (CAMS) will be presented.

  3. The Arizona Radio Observatory CO Mapping Survey of Galactic Molecular Clouds. V. The Sh2-235 Cloud in CO J=2-1, 13CO J=2-1, and CO J=3-2

    NASA Astrophysics Data System (ADS)

    Bieging, John H.; Patel, Saahil; Peters, William L.; Toth, L. Viktor; Marton, Gábor; Zahorecz, Sarolta

    2016-09-01

    We present the results of a program to map the Sh2-235 molecular cloud complex in the CO and 13CO J = 2 - 1 transitions using the Heinrich Hertz Submillimeter Telescope. The map resolution is 38″ (FWHM), with an rms noise of 0.12 K brightness temperature, for a velocity resolution of 0.34 km s-1. With the same telescope, we also mapped the CO J = 3 - 2 line at a frequency of 345 GHz, using a 64 beam focal plane array of heterodyne mixers, achieving a typical rms noise of 0.5 K brightness temperature with a velocity resolution of 0.23 km s-1. The three spectral line data cubes are available for download. Much of the cloud appears to be slightly sub-thermally excited in the J = 3 level, except for in the vicinity of the warmest and highest column density areas, which are currently forming stars. Using the CO and 13CO J = 2 - 1 lines, we employ an LTE model to derive the gas column density over the entire mapped region. Examining a 125 pc2 region centered on the most active star formation in the vicinity of Sh2-235, we find that the young stellar object surface density scales as approximately the 1.6-power of the gas column density. The area distribution function of the gas is a steeply declining exponential function of gas column density. Comparison of the morphology of ionized and molecular gas suggests that the cloud is being substantially disrupted by expansion of the H II regions, which may be triggering current star formation.

  4. Synthesis, spectroscopic and structural characterization of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine with theoretical calculations using density functional theory

    NASA Astrophysics Data System (ADS)

    İnkaya, Ersin; Dinçer, Muharrem; Şahan, Emine; Yıldırım, İsmail

    2013-10-01

    In this paper, we will report a combined experimental and theoretical investigation of the molecular structure and spectroscopic parameters (FT-IR, 1H NMR, 13C NMR) of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine. The compound crystallizes in the triclinic space group P-1 with Z = 2. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G(d,p) and 6-311++G(d,p) basis sets in ground state and compared with the experimental data. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP). Also, non-linear optical properties of the title compound were performed at B3LYP/6-311++G(d,p) level. The theoretical results showed an excellent agreement with the experimental values.

  5. The Mass and Absorption Columns of Galactic Gaseous Halos

    NASA Astrophysics Data System (ADS)

    Qu, Zhijie; Bregman, Joel N.

    2018-01-01

    The gaseous halo surrounding the galaxy is a reservoir for the gas on the galaxy disk, supplying materials for the star formation. We developed a gaseous halo model connecting the galactic disk and the gaseous halo by assuming the star formation rate is equal to the radiative cooling rate. Besides the single-phase collisional gaseous halo, we also consider the photoionization effect and a time-independent cooling model that assumes the mass cooling rate is constant over all temperatures. The photoionization dominates the low mass galaxy and the outskirts of the massive galaxy due to the low-temperature or low-density nature. The multi-phase cooling model dominates the denser region within the cooling radius, where the efficient radiative cooling must be included. Applying these two improvements, our model can reproduce the most of observed high ionization state ions (i.e., O VI, O VII, Ne VIII and Mg X). Our models show that the O VI column density is almost a constant of around 10^14 cm^-2 over a wide stellar mass from M_\\star ~10^8 M_Sun to 10^11 M_Sun, which is constant with current observations. This model also implies the O VI is photoionized for the galaxy with a halo mass <~ 3 * 10^11 M_Sun, while for more massive galaxies, the O VI is from the cooling-down medium from higher temperature materials (collisional ionized). As higher ionization states, Mg X and Ne VIII are also consistent with observations with the column density of 10^13.5 - 10^14.0 cm^-2, however, the absorber-galaxy pair sample is few to constrain the connection with the galaxy. Based on our calculation, such a gaseous halo cannot close the census of baryonic materials in the galaxy, which shows the same tendency as the baryonic fraction function of the EAGLE simulation. Finally, our model predicts plateaus of the Ne VIII and the Mg X column densities above the sub-L^* galaxy, and the possibly detectable O VII and O VIII column densities for low-mass galaxies, which help to determine the

  6. [Mechanism and performance of styrene oxidation by O3/H2O2].

    PubMed

    He, Jue-Cong; Huang, Qian-Ru; Ye, Qi-Hong; Luo, Yu-Wei; Zhang, Zai-Li; Fan, Qing-Juan; Wei, Zai-Shan

    2013-10-01

    It can produce a large number of free radicals in O3/H2O2, system, ozone and free radical coupling oxidation can improve the styrene removal efficiency. Styrene oxidation by O3/H2O2 was investigated. Ozone dosage, residence time, H2o2 volume fraction, spray density and molar ratio of O3/C8H8 on styrene removal were evaluated. The experimental results showed that styrene removal efficiency achieved 85.7%. The optimal residence time, H2O2, volume fraction, spray density and O3/C8H8 molar ratio were 20. 6 s, 10% , 1.72 m3.(m2.h)-1 and 0.46, respectively. The gas-phase degradation intermediate products were benzaldehyde(C6H5CHO) and benzoic acid (C6H5 COOH) , which were identified by means of gas chromatography-mass spectrometry(GC-MS). The degradation mechanism of styrene is presented.

  7. Trend analysis of tropospheric NO2 column density over East Asia during 2000-2010: multi-satellite observations and model simulations with the updated REAS emission inventory

    NASA Astrophysics Data System (ADS)

    Itahashi, S.; Uno, I.; Irie, H.; Kurokawa, J.; Ohara, T.

    2013-04-01

    Satellite observations of the tropospheric NO2 vertical column density (VCD) are closely correlated to surface NOx emissions and can thus be used to estimate the latter. In this study, the NO2 VCDs simulated by a regional chemical transport model with data from the updated Regional Emission inventory in ASia (REAS) version 2.1 were validated by comparison with multi-satellite observations (GOME, SCIAMACHY, GOME-2, and OMI) between 2000 and 2010. Rapid growth in NO2 VCD driven by expansion of anthropogenic NOx emissions was revealed above the central eastern China region, except during the economic downturn. In contrast, slightly decreasing trends were captured above Japan. The modeled NO2 VCDs using the updated REAS emissions reasonably reproduced the annual trends observed by multi-satellites, suggesting that the NOx emissions growth rate estimated by the updated inventory is robust. On the basis of the close linear relationship of modeled NO2 VCD, observed NO2 VCD, and anthropogenic NOx emissions, the NOx emissions in 2009 and 2010 were estimated. It was estimated that the NOx emissions from anthropogenic sources in China beyond doubled between 2000 and 2010, reflecting the strong growth of anthropogenic emissions in China with the rapid recovery from the economic downturn during late 2008 and mid-2009.

  8. Correlation of the tokamak H-mode density limit with ballooning stability at the separatrix

    NASA Astrophysics Data System (ADS)

    Eich, T.; Goldston, R. J.; Kallenbach, A.; Sieglin, B.; Sun, H. J.; ASDEX Upgrade Team; Contributors, JET

    2018-03-01

    We show for JET and ASDEX Upgrade, based on Thomson-scattering measurements, a clear correlation of the density limit of the tokamak H-mode high-confinement regime with the approach to the ideal ballooning instability threshold at the periphery of the plasma. It is shown that the MHD ballooning parameter at the separatrix position α_sep increases about linearly with the separatrix density normalized to Greenwald density, n_e, sep/n_GW for a wide range of discharge parameters in both devices. The observed operational space is found to reach at maximum n_e, sep/n_GW≈ 0.4 -0.5 at values for α_sep≈ 2 -2.5, in the range of theoretical predictions for ballooning instability. This work supports the hypothesis that the H-mode density limit may be set by ballooning stability at the separatrix.

  9. Induced binding of proteins by ammonium sulfate in affinity and ion-exchange column chromatography.

    PubMed

    Arakawa, Tsutomu; Tsumoto, Kouhei; Ejima, Daisuke; Kita, Yoshiko; Yonezawa, Yasushi; Tokunaga, Masao

    2007-04-10

    In general, proteins bind to affinity or ion-exchange columns at low salt concentrations, and the bound proteins are eluted by raising the salt concentration, changing the solvent pH, or adding competing ligands. Blue-Sepharose is often used to remove bovine serum albumin (BSA) from samples, but when we applied BSA to Blue-Sepharose in 20 mM phosphate, pH 7.0, 50%-60% of the protein flowed through the column; however, complete binding of BSA was achieved by the addition of 2 M ammonium sulfate (AS) to the column equilibration buffer and the sample. The bound protein was eluted by decreasing the AS concentration or by adding 1 M NaCl or arginine. AS at high concentrations resulted in binding of BSA even to an ion-exchange column, Q-Sepharose, at pH 7.0. Thus, although moderate salt concentrations elute proteins from Blue-Sepharose or ion-exchange columns, proteins can be bound to these columns under extreme salting-out conditions. Similar enhanced binding of proteins by AS was observed with an ATP-affinity column.

  10. First measurement of H I 21 cm emission from a GRB host galaxy indicates a post-merger system

    NASA Astrophysics Data System (ADS)

    Arabsalmani, Maryam; Roychowdhury, Sambit; Zwaan, Martin A.; Kanekar, Nissim; Michałowski, Michał J.

    2015-11-01

    We report the detection and mapping of atomic hydrogen in H I 21 cm emission from ESO 184-G82, the host galaxy of the gamma-ray burst 980425. This is the first instance where H I in emission has been detected from a galaxy hosting a gamma-ray burst (GRB). ESO 184-G82 is an isolated galaxy and contains a Wolf-Rayet region close to the location of the GRB and the associated supernova, SN 1998bw. This is one of the most luminous H II regions identified in the local Universe, with a very high inferred density of star formation. The H I 21 cm observations reveal a high H I mass for the galaxy, twice as large as the stellar mass. The spatial and velocity distribution of the H I 21 cm emission reveals a disturbed rotating gas disc, which suggests that the galaxy has undergone a recent minor merger that disrupted its rotation. We find that the Wolf-Rayet region and the GRB are both located in the highest H I column density region of the galaxy. We speculate that the merger event has resulted in shock compression of the gas, triggering extreme star formation activity, and resulting in the formation of both the Wolf-Rayet region and the GRB. The high H I column density environment of the GRB is consistent with the high H I column densities seen in absorption in the host galaxies of high-redshift GRBs.

  11. Experimental studies on cycling stable characteristics of inorganic phase change material CaCl2·6H2O-MgCl2·6H2O modified with SrCl2·6H2O and CMC

    NASA Astrophysics Data System (ADS)

    He, Meizhi; Yang, Luwei; Zhang, Zhentao

    2018-01-01

    By means of mass ratio method, binary eutectic hydrated salts inorganic phase change thermal energy storage system CaCl2·6H2O-20wt% MgCl2·6H2O was prepared, and through adding nucleating agent 1wt% SrCl2·6H2O and thickening agent 0.5wt% carboxy methyl cellulose (CMC), inoganic phase change material (PCM) modified was obtained. With recording cooling-melting curves simultaneously, this PCM was frozen and melted for 100 cycles under programmable temperature control. After per 10 cycles, the PCM was charaterized by differential scanning calorimeter (DSC), X-ray diffraction (XRD) and density meter, then analysing variation characteristics of phase change temperature, supercooling degree, superheat degree, latent heat, crystal structure and density with the increase of cycle index. The results showed that the average values of average phase change temperature for cooling and heating process were 25.70°C and 27.39°C respectively with small changes. The average values of average supercooling and superheat degree were 0.59°C and 0.49°C respectively, and the maximum value was 1.10°C. The average value and standard deviation of latent heat of fusion were 120.62 J/g and 1.90 J/g respectively. Non-molten white solid sediments resulted from phase separation were tachyhydrite (CaMg2Cl6·12H2O), which was characterized by XRD. Measuring density of the PCM after per 10 cycles, and the results suggested that the total mass of tachyhydrite was limited. In summary, such modified inoganic PCM CaCl2·6H2O-20wt% MgCl2·6H2O-1wt% SrCl2·6H2O-0.5wt% CMC could stay excellent circulation stability within 100 cycles, and providing reference value in practical use.

  12. Low density of neutral hydrogen and helium in the local interstellar medium: Extreme Ultraviolet Explorer photometry of the Lyman continuum of the hot white dwarfs MCT 0501-2858, MCT 0455-2812, HZ 43, and GD 153

    NASA Technical Reports Server (NTRS)

    Vennes, Stephane; Dupuis, Jean; Bowyer, Stuart; Fontaine, Gilles; Wiercigroch, Alexandria; Jelinsky, Patrick; Wesemael, Francois; Malina, Roger

    1994-01-01

    The first comprehensive sky survey of the extreme ultraviolet (EUV) spectral range performed by the Extreme Ultraviolet Explorer (EUVE) has uncovered a handful of very bright sources at wavelengths longer than the He I 504 A photoionization edge. Among these objects are four white dwarfs with exceptionally low interstellar medium (ISM) column densities along the line of sight. Analysis of EUV photometry of the He-rich DO white dwarf MCT 0501-2858 and the H-rich DA white dwarf MCT 0455-2812 along one line of sight and of the DA white dwarfs HZ 43 and GD 153 near the north Galactic pole indicates that the overall minimum column density of the neutral material centered on the Sun is N(H I) = 0.5-1.0 x 10(exp 18)/sq cm. In the case of MCT 0501-2858, EUV photometric measurements provide a clear constraint to the effective temperature (60,000-70,000 K). Given these neutral hydrogen columns, the actual contribution to the density of neutral species from the immediate solar environment (the 'local fluff') would only cover a distance of approximately equals 2-3 pc (assuming an average density n(H I) = 0.1/cu cm) leaving these lines of sight almost entirely within the hot phase of the ISM. A preliminary examination of the complete EUVE long-wavelength survey indicates that these lines of sight are exceptional and set a minimum column density in the solar environment.

  13. pH-dependence of single-protein adsorption and diffusion at a liquid chromatographic interface.

    PubMed

    Kisley, Lydia; Poongavanam, Mohan-Vivekanandan; Kourentzi, Katerina; Willson, Richard C; Landes, Christy F

    2016-02-01

    pH is a common mobile phase variable used to control protein separations due to the tunable nature of amino acid and adsorbent charge. Like other column variables such as column density and ligand loading density, pH is usually optimized empirically. Single-molecule spectroscopy extracts molecular-scale data to provide a framework for mechanistic optimization of pH. The adsorption and diffusion of a model globular protein, α-lactalbumin, was studied by single-molecule microscopy at a silica-aqueous interface analogous to aqueous normal phase and hydrophilic interaction chromatography and capillary electrophoresis interfaces at varied pH. Electrostatic repulsion resulting in free diffusion was observed at pH above the isoelectric point of the protein. In contrast, at low pH strong adsorption and surface diffusion with either no (D ∼ 0.01 μm(2) /s) or translational (D ∼ 0.3 μm(2) /s) motion was observed where the protein likely interacted with the surface through electrostatic, hydrophobic, and hydrogen bonding forces. The fraction of proteins immobilized could be increased by lowering the pH. These results show that retention of proteins at the silica interface cannot be viewed solely as an adsorption/desorption process and that the type of surface diffusion, which ultimately leads to ensemble chromatographic separations, can be controlled by tuning long-range electrostatic and short-range hydrophobic and hydrogen bonding forces with pH. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Warm H2O and OH Disk Emission in V1331 Cyg

    NASA Astrophysics Data System (ADS)

    Doppmann, Greg W.; Najita, Joan R.; Carr, John S.; Graham, James R.

    2011-09-01

    We present high-resolution (R = 24, 000) L-band spectra of the young intermediate-mass star V1331 Cyg obtained with NIRSPEC on the Keck II telescope. The spectra show strong, rich emission from water and OH that likely arises from the warm surface region of the circumstellar disk. We explore the use of the new BT2 water line list in fitting the spectra, and we find that it does a much better job than the well-known HITRAN water line list in the observed wavelength range and for the warm temperatures probed by our data. By comparing the observed spectra with synthetic disk emission models, we find that the water and OH emission lines have similar widths (FWHM ~= 18 km s-1). If the line widths are set by disk rotation, the OH and water emission lines probe a similar range of disk radii in this source. The water and OH emission are consistent with thermal emission for both components at a temperature ~1500 K. The column densities of the emitting water and OH are large, ~1021 cm-2 and ~1020 cm-2, respectively. Such a high column density of water is more than adequate to shield the disk midplane from external UV irradiation in the event of complete dust settling out of the disk atmosphere, enabling chemical synthesis to continue in the midplane despite a harsh external UV environment. The large OH-to-water ratio is similar to expectations for UV irradiated disks, although the large OH column density is less easily accounted for. Data presented herein were obtained at the W. M. Keck Observatory from telescope time allocated to the National Aeronautics and Space Administration through the agency's scientific partnership with the California Institute of Technology and the University of California. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.

  15. CO/H2 Abundance Ratio ≈ 10-4 in a Protoplanetary Disk

    NASA Astrophysics Data System (ADS)

    France, Kevin; Herczeg, Gregory J.; McJunkin, Matthew; Penton, Steven V.

    2014-10-01

    The relative abundances of atomic and molecular species in planet-forming disks around young stars provide important constraints on photochemical disk models and provide a baseline for calculating disk masses from measurements of trace species. A knowledge of absolute abundances, those relative to molecular hydrogen (H2), are challenging because of the weak rovibrational transition ladder of H2 and the inability to spatially resolve different emission components within the circumstellar environment. To address both of these issues, we present new contemporaneous measurements of CO and H2 absorption through the "warm molecular layer" of the protoplanetary disk around the Classical T Tauri Star RW Aurigae A. We use a newly commissioned observing mode of the Hubble Space Telescope Cosmic Origins Spectrograph to detect warm H2 absorption in this region for the first time. An analysis of the emission and absorption spectrum of RW Aur shows components from the accretion region near the stellar photosphere, the molecular disk, and several outflow components. The warm H2 and CO absorption lines are consistent with a disk origin. We model the 1092-1117 Å spectrum of RW Aur to derive log10 N(H2) = 19.90+0.33-0.22 cm-2 at T rot(H2) = 440 ± 39 K. The CO A - X bands observed from 1410 to 1520 Å are best fit by log10 N(CO) = 16.1 +0.3-0.5 cm-2 at T rot(CO) = 200+650-125 K. Combining direct measurements of the H I, H2, and CO column densities, we find a molecular fraction in the warm disk surface of f H2 >= 0.47 and derive a molecular abundance ratio of CO/H2 = 1.6+4.7-1.3 × 10-4, both consistent with canonical interstellar dense cloud values. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Science Institute. STScI is operated by the Association of Universities for Research in Astronomy, Inc. under NASA contract NAS 5-26555.

  16. Ternary recombination of H3+, H2D+, HD2+, and D3+ with electrons in He/Ar/H2/D2 gas mixtures

    NASA Astrophysics Data System (ADS)

    Kalosi, Abel; Dohnal, Petr; Plasil, Radek; Johnsen, Rainer; Glosik, Juraj

    2016-09-01

    The temperature dependence of the ternary recombination rate coefficients of H2D+ and HD2+ ions has been studied in the temperature range of 80-150 K at pressures from 500 to 1700 Pa in a stationary afterglow apparatus equipped with a cavity ring-down spectrometer. Neutral gas mixtures consisting of He/Ar/H2/D2 (with typical number densities 1017 /1014 /1014 /1014 cm-3) were employed to produce the desired ionic species and their fractional abundances were monitored as a function of helium pressure and the [D2]/[H2] ratio of the neutral gas. In addition, the translational and the rotational temperature and the ortho to para ratio were monitored for both H2D+ and HD2+ ions. A fairly strong pressure dependence of the effective recombination rate coefficient was observed for both ion species, leading to ternary recombination rate coefficients close to those previously found for (helium assisted) ternary recombination of H3+ and D3+. Work supported by: Czech Science Foundation projects GACR 14-14649P, GACR 15-15077S, GACR P209/12/0233, and by Charles University in Prague Project Nr. GAUK 692214.

  17. A SEARCH FOR l-C{sub 3}H{sup +} AND l-C{sub 3}H IN Sgr B2(N), Sgr B2(OH), AND THE DARK CLOUD TMC-1

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McGuire, Brett A.; Carroll, P. Brandon; Loomis, Ryan A.

    2013-09-01

    Pety et al. recently reported the detection of several transitions of an unknown carrier in the Horsehead PDR and attribute them to l-C{sub 3}H{sup +}. Here, we have tested the predictive power of their fit by searching for, and identifying, the previously unobserved J = 1-0 and J = 2-1 transitions of the unknown carrier (B11244) toward Sgr B2(N) in data from the publicly available PRIMOS project. Also presented here are observations of the J = 6-5 and J = 7-6 transitions toward Sgr B2(N) and Sgr B2(OH) using the Barry E. Turner Legacy Survey and results from the Kaifumore » et al. survey of TMC-1. We calculate an excitation temperature and column density of B11244 of {approx}10 K and {approx}10{sup 13} cm{sup -2} in Sgr B2(N) and {approx}79 K with an upper limit of {<=}1.5 Multiplication-Sign 10{sup 13} cm{sup -2} in Sgr B2(OH) and find trace evidence for the cation's presence in TMC-1. Finally, we present spectra of the neutral species in both Sgr B2(N) and TMC-1, and comment on the robustness of the assignment of the detected signals to l-C{sub 3}H{sup +}.« less

  18. Top-down NOX Emissions of European Cities Derived from Modelled and Spaceborne Tropospheric NO2 Columns

    NASA Astrophysics Data System (ADS)

    Verstraeten, W. W.; Boersma, K. F.; Douros, J.; Williams, J. E.; Eskes, H.; Delcloo, A. W.

    2017-12-01

    High nitrogen oxides (NOX = NO + NO2) concentrations near the surface impact humans and ecosystems badly and play a key role in tropospheric chemistry. NO2 is an important precursor of tropospheric ozone (O3) which in turn affects the production of the hydroxyl radical controlling the chemical lifetime of key atmospheric pollutants and reactive greenhouse gases. Combustion from industrial, traffic and household activities in large and densely populated urban areas result in high NOX emissions. Accurate mapping of these emissions is essential but hard to do since reported emissions factors may differ from real-time emissions in order of magnitude. Modelled NO2 levels and lifetimes also have large associated uncertainties and overestimation in the chemical lifetime which may mask missing NOX chemistry in current chemistry transport models (CTM's). The simultaneously estimation of both the NO2 lifetime and as well as the concentrations by applying the Exponentially Modified Gaussian (EMG) method on tropospheric NO2 columns lines densities should improve the surface NOX emission estimates. Here we evaluate if the EMG methodology applied on the tropospheric NO2 columns simulated by the LOTOS-EUROS (Long Term Ozone Simulation-European Ozone Simulation) CTM can reproduce the NOX emissions used as model input. First we process both the modelled tropospheric NO2 columns for the period April-September 2013 for 21 selected European urban areas under windy conditions (averaged vertical wind speeds between surface and 500 m from ECMWF > 2 m s-1) as well as the accompanying OMI (Ozone Monitoring Instrument) data providing us with real-time observation-based estimates of midday NO2 columns. Then we compare the top-down derived surface NOX emissions with the 2011 MACC-III emission inventory, used in the CTM as input to simulate the NO2 columns. For cities where NOX emissions can be assumed as originating from one large source good agreement is found between the top-down derived

  19. A three-electrode column for Pd-catalytic oxidation of TCE in groundwater with automatic pH-regulation and resistance to reduced sulfur compound foiling.

    PubMed

    Yuan, Songhu; Chen, Mingjie; Mao, Xuhui; Alshawabkeh, Akram N

    2013-01-01

    A hybrid electrolysis and Pd-catalytic oxidation process is evaluated for degradation of trichloroethylene (TCE) in groundwater. A three-electrode, one anode and two cathodes, column is employed to automatically develop a low pH condition in the Pd vicinity and a neutral effluent. Simulated groundwater containing up to 5 mM bicarbonate can be acidified to below pH 4 in the Pd vicinity using a total of 60 mA with 20 mA passing through the third electrode. By packing 2 g of Pd/Al(2)O(3) pellets in the developed acidic region, the column efficiency for TCE oxidation in simulated groundwater (5.3 mg/L TCE) increases from 44 to 59 and 68% with increasing Fe(II) concentration from 0 to 5 and 10 mg/L, respectively. Different from Pd-catalytic hydrodechlorination under reducing conditions, this hybrid electrolysis and Pd-catalytic oxidation process is advantageous in controlling the fouling caused by reduced sulfur compounds (RSCs) because the in situ generated reactive oxidizing species, i.e., O(2), H(2)O(2) and OH, can oxidize RSCs to some extent. In particular, sulfite at concentrations less than 1 mM even greatly increases TCE oxidation by the production of SO(4)(•-), a strong oxidizing radical, and more OH. Copyright © 2012 Elsevier Ltd. All rights reserved.

  20. [Experimental investigation of mechanisms of forming RbH by irradiating a Rb+H2 mixture with laser light].

    PubMed

    Shen, Xiao-Yan; Liu, Jing; Dai, Kang; Shen, Yi-Fan

    2008-11-01

    The radiation of a laser photoexcited Rb atoms from the ground state to the 5P3/2 level in a mixture of Rb vapor and hydrogen. The energy-pooling collision 5P3/2 + 5P3/2 --> 5S1/2 + 5D producted 5D state. The Rb (5P3/2) density and spatial distribution were mapped by monitoring the absorption of a counter-propagating laser beam, tuned to the 5P3/2 --> 7S1/2 transition, which could be translated parallel to the pump beam. In the presence of radiation trapping, the spontaneous radiation rate is multiplied by the transmission factor T5P3/2 --> 5S1/2, which describes the average probability that photons emitted within the fluorescence detection region can pass through the optically thick vapor without being absorbed. The T5P3/2 --> 5S1/2 is related to the frequency dependent absorption cross section and the density and spatial distribution of atoms in the level of the transition. The effective radiative rates of the Rb D2 line as a function of the H2 pressure were obtained. These quantities were combined with the measured excited atom density and fluorescence ratio to yield absolute energy-pooling rate coefficient. The quenching collision Rb (5P3/2) + H2 (v = 0) --> Rb(5S) + H2 (v = 2) producted state H2 (v= 2). This process is at least 16 times faster than the Rb (5P3/2) radiative decay rate. The reverse process of this process is relatively unlikely due to their large translational energy defect. The cross section for the process H2 (v = 2) + H2 (v = 0) --> H2 (vn = 1) + H2 (v = 0) + 3 920.2 cm(-1) is 7.7 x 10(-19) cm2. Hence the relaxation rate of this vibrational level is relatively slow and the nuclear spin statistics is conserved. The H2 (v = 2) density was determined by using the cross section for Rb (5P3/2)-H2 quenching. RbH was fromed by the Rb(5D) + H2 and Rb (5P3/2) + H2 (v = 2) reactions and observed by laser absorption. The ratio of 5D --> 5P3/2 to 5P3/2 --> 5S1/2 fluorescence was measured as a function of the H2 density. The absorption of the laser beam

  1. HI-to-H2 Transitions in the Perseus Molecular Cloud

    NASA Astrophysics Data System (ADS)

    Bialy, Shmuel; Sternberg, Amiel; Lee, Min-Young; Le Petit, Franck; Roueff, Evelyne

    2015-08-01

    We use the Sternberg et al. theory for interstellar atomic to molecular hydrogen (H i-to-H2) conversion to analyze H i-to-H2 transitions in five (low-mass) star-forming and dark regions in the Perseus molecular cloud, B1, B1E, B5, IC348, and NGC1333. The observed H i mass surface densities of 6.3-9.2 {M}⊙ {{pc}}-2 are consistent with H i-to-H2 transitions dominated by H i-dust shielding in predominantly atomic envelopes. For each source, we constrain the dimensionless parameter α G, and the ratio {I}{UV}/n, of the FUV intensity to hydrogen gas density. We find α G values from 5.0 to 26.1, implying characteristic atomic hydrogen densities 11.8-1.8 cm-3, for {I}{UV}≈ 1 appropriate for Perseus. Our analysis implies that the dusty H i shielding layers are probably multiphased, with thermally unstable UNM gas in addition to cold CNM within the 21 cm kinematic radius.

  2. Vibrational mode frequencies of H2S and H2O adsorbed on Ge(0 0 1)-(2 × 1) surfaces

    NASA Astrophysics Data System (ADS)

    Hartnett, M.; Fahy, S.

    2015-02-01

    The equilibrium geometry and vibrational modes of H2S and H2O-terminated Ge(0 0 1)-(2 × 1) surfaces are calculated in a supercell approach using first-principles density functional theory in the local density (LDA), generalized gradient (GGA) approximations and van der Waals (vdW) interactions. Mode frequencies are found using the frozen phonon method. For the H2S-passivated surface, the calculated frequencies in LDA (GGA) are 2429 cm-1 (2490) for the Hsbnd S stretch mode, 712 cm-1 (706) for the Hsbnd S bond bending mode, 377 cm-1 (36) for the Gesbnd S stretch mode and 328 cm-1 (337) for Hsbnd S wag mode. Frequencies for the H2O passivated surface are 3590 cm-1 (3600) for the Hsbnd O stretch mode, 921 cm-1 (947) for the bending mode, 609 cm-1 (559) for the Gesbnd O stretch, 1995 cm-1 (1991) for the Gesbnd H stretch mode, 498 cm-1 (478) for the Gesbnd H bending mode and 342 cm-1 (336) for the Hsbnd O wag mode. The differences between the functionals including vdW terms and the LDA or GGA are less than the differences between LDA and GGA for the vibrational mode frequencies.

  3. Densities and viscosities of solutions of monoethanolamine + N-Methyldiethanolamine + water and monoethanolamine + 2-amino-2-methyl-1-propanol + water

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, M.H.; Lie, Y.C.

    1994-07-01

    The densities and viscosities of aqueous mixtures of monoethanolamine (MEA) with N-methyldiethanolamine (MDEA) and MEA with 2-amino-2-methyl-1-propanol (AMP) have been studied at temperatures from 30 to 80 C. For density measurements, four MEA + MDEA (a total of 20 mass %) + H[sub 2]O mixtures and eight MEA + AMP (20 and 30 mass %) + H[sub 2]O mixtures were studied. For viscosity measurements, ten MEA + MDEA + H[sub 2]O mixtures and eight MEA + AMP + H[sub 2]O mixtures were measured. A Redlich-Kister equation of the excess volume was applied to represent the density of the liquid mixtures.more » The equation of Grunberg and Nissan of liquid viscosity was used to correlate the viscosity data. Both density and viscosity calculations show satisfactory results.« less

  4. H I-SELECTED GALAXIES AS A PROBE OF QUASAR ABSORPTION SYSTEMS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Okoshi, Katsuya; Nagashima, Masahiro; Gouda, Naoteru

    2010-02-20

    We investigate the properties of H I-rich galaxies detected in blind radio surveys within the hierarchical structure formation scenario using a semianalytic model of galaxy formation. By drawing a detailed comparison between the properties of H I-selected galaxies and H I absorption systems, we argue a link between the local galaxy population and quasar absorption systems, particularly for damped Lyalpha absorption (DLA) systems and sub-DLA systems. First, we evaluate how many H I-selected galaxies exhibit H I column densities as high as those of DLA systems. We find that H I-selected galaxies with H I masses M{sub H{sub I}} {approx}>more » 10{sup 8} M{sub sun} have gaseous disks that produce H I column densities comparable to those of DLA systems. We conclude that DLA galaxies where the H I column densities are as high as those of DLA systems, contribute significantly to the population of H I-selected galaxies at M{sub H{sub I}} {approx}> 10{sup 8} M{sub sun}. Second, we find that star formation rates (SFRs) correlate tightly with H I masses (M{sub H{sub I}}) rather than B- (and J-) band luminosities: SFR {proportional_to} M {sup alpha}{sub H{sub I}}, alpha = 1.25-1.40 for 10{sup 6} <= M{sub H{sub I}}/M{sub sun} <= 10{sup 11}. In the low-mass range M{sub H{sub I}} {approx}< 10{sup 8} M{sub sun}, sub-DLA galaxies replace DLA galaxies as the dominant population. The number fraction of sub-DLA galaxies relative to galaxies reaches 40%-60% for M{sub H{sub I}} {approx} 10{sup 8} M{sub sun} and 30%-80% for M{sub H{sub I}} {approx} 10{sup 7} M{sub sun}. The H I-selected galaxies at M{sub H{sub I}} {approx} 10{sup 7} M{sub sun} are a strong probe of sub-DLA systems that place stringent constraints on galaxy formation and evolution.« less

  5. Discovery of a Dwarf Poststarburst Galaxy near a High Column Density Local Lyα Absorber

    NASA Astrophysics Data System (ADS)

    Stocke, John T.; Keeney, Brian A.; McLin, Kevin M.; Rosenberg, Jessica L.; Weymann, R. J.; Giroux, Mark L.

    2004-07-01

    We report the discovery of a dwarf (MB=-13.9) poststarburst galaxy coincident in recession velocity (within uncertainties) with the highest column density absorber (NHI=1015.85 cm-2 at cz=1586 km s- 1) in the 3C 273 sight line. This galaxy is by far the closest galaxy to this absorber, projected just 71h-170 kpc on the sky from the sight line. The mean properties of the stellar populations in this galaxy are consistent with a massive starburst ~3.5 Gyr ago, whose attendant supernovae, we argue, could have driven sufficient gas from this galaxy to explain the nearby absorber. Beyond its proximity on the sky and in recession velocity, the further evidence in favor of this conclusion includes both a match in the metallicities of absorber and galaxy and the fact that the absorber has an overabundance of Si/C, suggesting recent Type II supernova enrichment. Thus, this galaxy and its ejecta are in the expected intermediate stage in the fading dwarf evolutionary sequence envisioned by Babul & Rees to explain the abundance of faint blue galaxies at intermediate redshifts. While this one instance of a QSO metal-line absorber and a nearby dwarf galaxy is not proof of a trend, a similar dwarf galaxy would be too faint to be observed by galaxy surveys around more distant metal-line absorbers. Thus, we cannot exclude the possibility that dwarf galaxies are primarily responsible for weak (NHI=1014-1017 cm-2) metal-line absorption systems in general. If a large fraction of the dwarf galaxies expected to exist at high redshift had a similar history (i.e., they had a massive starburst that removed all or most of their gas), these galaxies could account for at least several hundred high-z metal-line absorbers along the line of sight to a high-z QSO. The volume-filling factor for this gas, however, would be less than 1%. ID="FN1"> 1Based on observations made with the Apache Point 3.5 m telescope, operated by the Astronomical Research Consortium, and the 2.6 m du Pont telescope of the

  6. Concentration dependences of the density, viscosity, and refraction index of Cu(NO3)2 · 3H2O solutions in DMSO at 298 K

    NASA Astrophysics Data System (ADS)

    Mamyrbekova, A. K.

    2013-03-01

    Physicochemical properties (density, dynamic viscosity, refraction index) of the DMSO-Cu(NO3)2 · 3H2O system are studied in the concentration range of 0.01-2 M at 298 K. The refraction index of a solution of copper(II) nitrate in dimethylsulfoxide (DMSO) is measured at 288-318 K. The excess and partial molar volumes of the solvent and dissolved substance are calculated analytically.

  7. Prospects for Precision Measurement of CO2 Column from Space

    NASA Technical Reports Server (NTRS)

    Heaps, William S.; Kawa, S. Randolph; Burris, John F.; Wilson, Emily L.; Georgieva, Elena; Miodek, Marty

    2005-01-01

    In order to address the problem of sources and sinks of CO2 measurements are needed on a global scale. Clearly a satellite is a promising approach to meeting this requirement. Unfortunately, most methods for making a CO2 measurement from space involve the whole column. Since sources and sinks at the surface represent a small perturbation to the total column one is faced with the need to measure the column with a precision better than 1%. No species has ever been measured from space at this level. We have developed over the last 3 years a small instrument based upon a Fabry-Perot interferometer that is very sensitive to atmospheric CO2 and has a high signal to noise ratio. We have tested this instrument in a ground based configuration and from aircraft platforms simulating operation from a satellite. We will present results from these tests and discuss ways that this promising new instrument could be used to improve our understanding of the global carbon budget.

  8. Axisymmetric collapses of granular columns

    NASA Astrophysics Data System (ADS)

    Lube, Gert; Huppert, Herbert E.; Sparks, R. Stephen J.; Hallworth, Mark A.

    2004-06-01

    Experimental observations of the collapse of initially vertical columns of small grains are presented. The experiments were performed mainly with dry grains of salt or sand, with some additional experiments using couscous, sugar or rice. Some of the experimental flows were analysed using high-speed video. There are three different flow regimes, dependent on the value of the aspect ratio a {=} h_i/r_i, where h_i and r_i are the initial height and radius of the granular column respectively. The differing forms of flow behaviour are described for each regime. In all cases a central, conically sided region of angle approximately 59(°) , corresponding to an aspect ratio of 1.7, remains undisturbed throughout the motion. The main experimental results for the final extent of the deposit and the time for emplacement are systematically collapsed in a quantitative way independent of any friction coefficients. Along with the kinematic data for the rate of spread of the front of the collapsing column, this is interpreted as indicating that frictional effects between individual grains in the bulk of the moving flow only play a role in the last instant of the flow, as it comes to an abrupt halt. For a {<} 1.7, the measured final runout radius, r_infty, is related to the initial radius by r_infty {=} r_i(1 {+} 1.24a); while for 1.7 {<} a the corresponding relationship is r_infty {=} r_i(1 {+} 1.6a(1/2) ). The time, t_infty, taken for the grains to reach r_infty is given by t_infty {=} 3(h_i/g)(1/2} {=} 3(r_i/g)({1/2}a^{1/2)) , where g is the gravitational acceleration. The insights and conclusions gained from these experiments can be applied to a wide range of industrial and natural flows of concentrated particles. For example, the observation of the rapid deposition of the grains can help explain details of the emplacement of pyroclastic flows resulting from the explosive eruption of volcanoes.

  9. Synthesis, spectroscopic and structural characterization of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine with theoretical calculations using density functional theory.

    PubMed

    Inkaya, Ersin; Dinçer, Muharrem; Sahan, Emine; Yıldırım, Ismail

    2013-10-01

    In this paper, we will report a combined experimental and theoretical investigation of the molecular structure and spectroscopic parameters (FT-IR, (1)H NMR, (13)C NMR) of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine. The compound crystallizes in the triclinic space group P-1 with Z=2. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G(d,p) and 6-311++G(d,p) basis sets in ground state and compared with the experimental data. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential (ESP). Also, non-linear optical properties of the title compound were performed at B3LYP/6-311++G(d,p) level. The theoretical results showed an excellent agreement with the experimental values. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Physical Properties and Seasonal Behavior of H2O, HDO, CO2 and Trace Gases on Mars: Quantitative Mapping from Earth-Based Observatories

    NASA Technical Reports Server (NTRS)

    Novak, Robert E.; Mumma, Michael J.

    2011-01-01

    Since 1997, we have used high-resolution (R greater than 40000) spectrometers on ground based-telescopes to study molecules that have astrobiological significance in Mars' atmosphere. We have used the NASA-IRTF, Keck II, and VLT telescopes in the 1.0-5.0 micron range. The spectrometer is set at a wavelength to detect specific molecules. Spectral/spatial images are produced. Extracts from these images provide column densities centered at latitude/longitude locations (resolution 400km at sub-Earth point). We have mapped the O2 singlet-Delta emission (a proxy for ozone), HDO, and H2O for seasonal dates throughout the Martian year. Previously undiscovered isotopic bands of CO2 have been identified along with isotopic forms of CO. We are searching for other molecules that have astrobiological importance and have successfully measured methane in Mars' atmosphere.

  11. Low-density solvent based ultrasound-assisted emulsification microextraction and on-column derivatization combined with gas chromatography-mass spectrometry for the determination of carbamate pesticides in environmental water samples.

    PubMed

    Guo, Liang; Lee, Hian Kee

    2012-04-27

    A fast and efficient method for the determination of trace level of carbamate pesticides using a lower-density-than-water solvent for ultrasound-assisted emulsification microextraction coupled to on-column derivatization and analysis by GC-MS has been developed and studied. In this approach, a soft plastic Pasteur pipette was employed as a convenient extraction device. Fifty microliters of extraction solvent, of lower density than water, was injected into the sample solution held in the pipette. The latter was immediately immersed in an ultrasound water bath to form an emulsion. After 2 min extraction, the emulsion was fractionated into two layers by centrifugation. The upper layer (organic extract) could be collected conveniently by squeezing the bulb of the pipette, now held upside down, to move it into the narrow stem of the device, facilitating its retrieval for analysis. The extract was then combined with trimethylphenylammonium hydroxide and directly injected into a gas chromatography-mass spectrometry (GC-MS) system for on-column derivatization and analysis. The on-column derivatization provided an added convenience (since a separate step was not necessary). Parameters affecting the derivatization and extraction were investigated. Under the most favorable conditions, the method demonstrated high extraction efficiency with low limits of detection of between 0.01 and 0.1 μg/L, good linearity in the range of 0.05-50 μg/L, to 0.5-100 μg/L, and good repeatability (RSD below 9.2%, n=5). The proposed method was evaluated by determining carbamate pesticides in river water samples. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Regional modeling of tropospheric NO2 vertical column density over East Asia during the period 2000-2010: comparison with multisatellite observations

    NASA Astrophysics Data System (ADS)

    Itahashi, S.; Uno, I.; Irie, H.; Kurokawa, J.-I.; Ohara, T.

    2014-04-01

    Satellite observations of the tropospheric NO2 vertical column density (VCD) are closely correlated to, and thus can be used to estimate, surface NOx emissions. In this study, the NO2 VCD simulated by a regional chemical transport model with emissions data from the updated Regional Emission inventory in ASia (REAS) version 2.1 were validated through comparison with multisatellite observations during the period 2000-2010. Rapid growth in NO2 VCD (~11% year-1) driven by the expansion of anthropogenic NOx emissions was identified above the central eastern China (CEC) region, except for the period during the economic downturn. In contrast, slightly decreasing trends (~2% year-1) were identified above Japan accompanied by a decline in anthropogenic emissions. To systematically compare the modeled NO2 VCD, we estimated sampling bias and the effect of applying the averaging kernel information, with particular focus on the SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY (SCIAMACHY) data. Using the updated REAS, the modeled NO2 VCD reasonably reproduced annual trends observed by multisatellites, suggesting that the rate of increase of NOx emissions estimated by the updated REAS inventory would be robust. Province-scale revision of emissions above CEC is needed to further refine emission inventories. Based on the close linear relationship between modeled and observed NO2 VCD and anthropogenic NOx emissions, NOx emissions in 2009 and 2010, which were not covered by the updated REAS inventory, were estimated. NOx emissions from anthropogenic sources in China in 2009 and 2010 were determined to be 26.4 and 28.5 Tg year-1, respectively, indicating that NOx emissions increased more than twofold between 2000 and 2010. This increase reflected the strong growth of anthropogenic emissions in China following the rapid recovery from the economic downturn from late 2008 until mid-2009. Our method consists of simple estimations from satellite observations and

  13. Nano-amylose-2,3-bis(3,5-dimethylphenylcarbamate)-silica hybrid sol immobilized on open tubular capillary column for capillary electrochromatography enantioseparation.

    PubMed

    Sun, Yaming; Wu, Qi; Shi, Xiaofeng; Gao, Jie; Dong, Shuqing; Zhao, Liang

    2018-04-01

    The chiral organic-inorganic hybrid materials can exhibit a high loading, and the chiral selector nanoparticles can create efficient stationary phases for open-tubular capillary electrochromatography (OT-CEC). Hence, a novel protocol for the preparation of an OT column coated with nano-amylose-2,3-bis(3,5-dimethylphenylcarbamate) (nano-ABDMPC)-silica hybrid sol through in situ layer-by-layer self-assembly method was developed for CEC enantioseparation. By controlling the assembly cycle number of nano-ABDMPC-silica hybrid sol, a homogeneous, dense and stable coating was successfully prepared, which was confirmed by SEM and elemental analysis. As the main parameter influencing the chiral separating effect, the nano-ABDMPC bearing 3-(triethoxysilyl)propyl residues concentration was investigated. The experimental results showed that 10.0 mg/mL nano-ABDMPC bearing 3-(triethoxysilyl)propyl residues coated OT capillary column possessed chiral recognition ability toward the six enantiomers (phenylalanine, tyrosine, tryptophan, phenethyl alcohol, 1-phenyl-2-propanol, and Tröger's base) at some of the different conditions tested. Additionally, the coated OT column revealed adequate repeatability concerning run-to-run, day-to-day and column-to-column. These results demonstrated the promising applicability of nano-ABDMPC-silica hybrid sol coated OT column in CEC enantioseparations. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. DHIGLS: DRAO H I Intermediate Galactic Latitude Survey

    NASA Astrophysics Data System (ADS)

    Blagrave, K.; Martin, P. G.; Joncas, G.; Kothes, R.; Stil, J. M.; Miville-Deschênes, M. A.; Lockman, Felix J.; Taylor, A. R.

    2017-01-01

    Observations of Galactic H I gas for seven targeted regions at intermediate Galactic latitude are presented at 1\\prime angular resolution using data from the DRAO Synthesis Telescope (ST) and the Green Bank Telescope (GBT). The DHIGLS data are the most extensive arcminute-resolution measurements of the diffuse atomic interstellar medium beyond those in the Galactic plane. The acquisition, reduction, calibration, and mosaicking of the DRAO ST data and the cross calibration and incorporation of the short-spacing information from the GBT are described. The high quality of the resulting DHIGLS products enables a variety of new studies in directions of low Galactic column density. We analyze the angular power spectra of maps of the integrated H I emission (column density) from the data cubes for several distinct velocity ranges. In fitting power-spectrum models based on a power law, but including the effects of the synthesized beam and noise at high spatial frequencies, we find exponents ranging from -2.5 to -3.0. Power spectra of maps of the centroid velocity for these components give similar results. These exponents are interpreted as being representative of the three-dimensional density and velocity fields of the atomic gas, respectively. We find evidence for dramatic changes in the H I structures in channel maps over even small changes in velocity. This narrow line emission has counterparts in absorption spectra against bright background radio sources, quantifying that the gas is cold and dense and can be identified as the cold neutral medium phase. Fully reduced DHIGLS H I data cubes and other data products are available at www.cita.utoronto.ca/DHIGLS.

  15. Detection of HCN and C2H2 in ISO Spectra of Oxygen-Rich AGB Stars

    NASA Technical Reports Server (NTRS)

    Carbon, Duane F.; Chiar, Jean; Goorvitch, David; Kwak, Dochan (Technical Monitor)

    2002-01-01

    Cool oxygen-rich AGB stars were not expected to have organic molecules like HCN in either their photospheres or circumstellar envelopes (CSEs). The discovery of HCN and CS microwave emission from the shallowest CSE layers of these stars was a considerable surprise and much theoretical effort has been expended in explaining the presence of such organics. To further explore this problem, we have undertaken a systematic search of oxygen-rich AGB stellar spectra in the Infrared Space Observatory (ISO) data archive. Our purposes are to find evidence regarding critical molecular species that could be of value in choosing among the proposed theoretical models, to locate spectral features which might give clues to conditions deeper in the CSEs, and to lay the groundwork for future SIRTF (Space Infrared Telescope Facility) and SOFIA (Stratospheric Observatory for Infrared Astronomy) observations. Using carefully reduced observations, we have detected weak absorption features arising from HCN and possibly C2H2 in a small number of oxygen-rich AGB stars. The most compelling case is NML Cyg which shows both HCN (14 microns) and CO2 (15 microns). VY CMa, a similar star, shows evidence for HCN, but not CO2. Two S-type stars show evidence for the C-H bending transitions: W Aql at 14 microns (HCN) and both W Aql and S Cas at 13.7 microns (C2H2). Both W Aql and S Cas as well as S Lyr, a SC-type star, show 3 micron absorption which may arise from the C-H stretch of HCN and C2H2. In the case of NML Cyg, we show that the HCN and CO2 spectral features are formed in the CSE at temperatures well above those of the outermost CSE layers and derive approximate column densities. In the case of the S-stars, we discuss the evidence for the organic features and their photospheric origin.

  16. Hydrogen peroxide stabilization in one-dimensional flow columns

    NASA Astrophysics Data System (ADS)

    Schmidt, Jeremy T.; Ahmad, Mushtaque; Teel, Amy L.; Watts, Richard J.

    2011-09-01

    Rapid hydrogen peroxide decomposition is the primary limitation of catalyzed H 2O 2 propagations in situ chemical oxidation (CHP ISCO) remediation of the subsurface. Two stabilizers of hydrogen peroxide, citrate and phytate, were investigated for their effectiveness in one-dimensional columns of iron oxide-coated and manganese oxide-coated sand. Hydrogen peroxide (5%) with and without 25 mM citrate or phytate was applied to the columns and samples were collected at 8 ports spaced 13 cm apart. Citrate was not an effective stabilizer for hydrogen peroxide in iron-coated sand; however, phytate was highly effective, increasing hydrogen peroxide residuals two orders of magnitude over unstabilized hydrogen peroxide. Both citrate and phytate were effective stabilizers for manganese-coated sand, increasing hydrogen peroxide residuals by four-fold over unstabilized hydrogen peroxide. Phytate and citrate did not degrade and were not retarded in the sand columns; furthermore, the addition of the stabilizers increased column flow rates relative to unstabilized columns. These results demonstrate that citrate and phytate are effective stabilizers of hydrogen peroxide under the dynamic conditions of one-dimensional columns, and suggest that citrate and phytate can be added to hydrogen peroxide before injection to the subsurface as an effective means for increasing the radius of influence of CHP ISCO.

  17. A Search for H I Lyα Counterparts to Ultrafast X-Ray Outflows

    NASA Astrophysics Data System (ADS)

    Kriss, Gerard A.; Lee, Julia C.; Danehkar, Ashkbiz

    2018-06-01

    Prompted by the H I Lyα absorption associated with the X-ray ultrafast outflow at ‑17,300 km s‑1 in the quasar PG 1211+143, we have searched archival UV spectra at the expected locations of H I Lyα absorption for a large sample of ultrafast outflows identified in XMM-Newton and Suzaku observations. Sixteen of the X-ray outflows have predicted H I Lyα wavelengths falling within the bandpass of spectra from either the Far Ultraviolet Spectroscopic Explorer or the Hubble Space Telescope, although none of the archival observations were simultaneous with the X-ray observations in which ultrafast X-ray outflows (UFOs) were detected. In our spectra broad features with FWHM of 1000 km s‑1 have 2σ upper limits on the H I column density of generally ≲2 × 1013 cm‑2. Using grids of photoionization models covering a broad range of spectral energy distributions (SEDs), we find that producing Fe XXVI Lyα X-ray absorption with equivalent widths >30 eV and associated H I Lyα absorption with {N}{{H}{{I}}}< 2× {10}13 {cm}}-2 requires total absorbing column densities {N}{{H}}> 5× {10}22 {cm}}-2 and ionization parameters log ξ ≳ 3.7. Nevertheless, a wide range of SEDs would predict observable H I Lyα absorption if ionization parameters are only slightly below peak ionization fractions for Fe XXV and Fe XXVI. The lack of Lyα features in the archival UV spectra indicates that the UFOs have very high ionization parameters, that they have very hard UV-ionizing spectra, or that they were not present at the time of the UV spectral observations owing to variability.

  18. Interstellar H3O(+) and its relation to the O2 and H2O abundances

    NASA Astrophysics Data System (ADS)

    Phillips, T. G.; van Dishoeck, Ewine F.; Keene, Jocelyn

    1992-11-01

    An interstellar medium study of the three reasonably accessible low-lying submillimeter lines of the H3O(+) molecular ion at 396, 364, and 307 GHz is presented. An analysis of the H3O(+) line ratios shows that under high density (about 10 exp 6 - 10 exp 7/cu cm) and high-temperature (greater than about 50 K), the 396 GHz line is about a factor of two stronger than the 364 GHz line, with the 307 GHz line much weaker. For lower densities, the excitation of the 364 GHz line can be very sensitive to dust radiation pumping, and it is shown that this is the case in Sgr B2, resulting in the 364 GHz line being a factor of 2-3 stronger than the 396 GHz line. Under almost all conditions, the 307 GHz line is weak, the exception being for densities greater than about 10 exp 7/cu cm.

  19. Kinetic and stoichiometric constraints determine the pathway of H2O2 consumption by red blood cells.

    PubMed

    Orrico, Florencia; Möller, Matías N; Cassina, Adriana; Denicola, Ana; Thomson, Leonor

    2018-05-09

    Red blood cells (RBC) are considered as a circulating sink of H 2 O 2 , but a significant debate remains over the role of the different intraerythocyte peroxidases. Herein we examined the kinetic of decomposition of exogenous H 2 O 2 by human RBC at different cell densities, using fluorescent and oxymetric methods, contrasting the results against a mathematical model. Fluorescent measurements as well as oxygen production experiments showed that catalase was responsible for most of the decomposition of H 2 O 2 at cell densities suitable for both experimental settings (0.1-10 × 10 10 cell L -1 ), since sodium azide but not N-ethylmaleimide (NEM) inhibited H 2 O 2 consumption. Oxygen production decreased at high cell densities until none was detected above 1.1 × 10 12 cell L- 1 , being recovered after inhibition of the thiol dependent systems by NEM. This result underlined that the consumption of H 2 O 2 by catalase prevail at RBC densities regularly used for research, while the thiol dependent systems predominate when the cell density increases, approaching the normal number in blood (5 × 10 12 cell L- 1 ). The mathematical model successfully reproduced experimental results and at low cell number it showed a time sequence involving Prx as the first line of defense, followed by catalase, with a minor role by Gpx. The turning points were given by the total consumption of reduced Prx in first place and reduced GSH after that. However, Prx alone was able to account for the added H 2 O 2 (50µM) at physiological RBC density, calling attention to the importance of cell density in defining the pathway of H 2 O 2 consumption and offering an explanation to current apparently conflicting results in the literature. Copyright © 2018. Published by Elsevier Inc.

  20. Computational study of red- and blue-shifted Csbnd H⋯Se hydrogen bond in Q3Csbnd H⋯SeH2 (Q = Cl, F, H) complexes

    NASA Astrophysics Data System (ADS)

    Chopra, Pragya; Chakraborty, Shamik

    2018-01-01

    This work presents Csbnd H⋯Se hydrogen bonding interaction at the MP2 level of theory. The system Q3Csbnd H⋯SeH2 (Q = Cl, F, and H) provides an opportunity to investigate red- and blue-shifted hydrogen bonds. The origin of the red- and blue-shift in Csbnd H stretching frequency has been investigated using Natural Bond Orbital analysis. A large amount of electron density is being transferred to the σ∗Csbnd H orbital in red-shifted Cl3Csbnd H⋯SeH2. Electron density transfer in the blue-shifted F3Csbnd H⋯SeH2 is primarily to the remote fluorine atoms. Further, due to polarization of the Csbnd H bond, the contradicting effects of rehybridization and hyperconjugation are important. The extent of hyperconjugation reigns predominant in explaining the nature of the Csbnd H⋯Se hydrogen bond in Q3Csbnd H⋯SeH2 complexes as the hydrogen bond acceptor remain same in this investigation. Red- and blue-shift in Q3Csbnd H⋯SeH2 (Q = Cl and F) complexes is best described by pro-improper hydrogen bond donor concept.

  1. Airborne 2-Micron Double-Pulsed Integrated Path Differential Absorption Lidar for Column CO2 Measurement

    NASA Technical Reports Server (NTRS)

    Singh, Upendra N.; Yu, Jirong; Petros, Mulugeta; Refaat, Tamer F.; Remus, Ruben G.; Fay, James J.; Reithmaier, Karl

    2014-01-01

    Double-pulse 2-micron lasers have been demonstrated with energy as high as 600 millijouls and up to 10 Hz repetition rate. The two laser pulses are separated by 200 microseconds and can be tuned and locked separately. Applying double-pulse laser in DIAL system enhances the CO2 measurement capability by increasing the overlap of the sampled volume between the on-line and off-line. To avoid detection complicity, integrated path differential absorption (IPDA) lidar provides higher signal-to-noise ratio measurement compared to conventional range-resolved DIAL. Rather than weak atmospheric scattering returns, IPDA rely on the much stronger hard target returns that is best suited for airborne platforms. In addition, the IPDA technique measures the total integrated column content from the instrument to the hard target but with weighting that can be tuned by the transmitter. Therefore, the transmitter could be tuned to weight the column measurement to the surface for optimum CO2 interaction studies or up to the free troposphere for optimum transport studies. Currently, NASA LaRC is developing and integrating a double-Pulsed 2-micron direct detection IPDA lidar for CO2 column measurement from an airborne platform. The presentation will describe the development of the 2-micron IPDA lidar system and present the airborne measurement of column CO2 and will compare to in-situ measurement for various ground target of different reflectivity.

  2. Optimized Enrichment of Phosphoproteomes by Fe-IMAC Column Chromatography.

    PubMed

    Ruprecht, Benjamin; Koch, Heiner; Domasinska, Petra; Frejno, Martin; Kuster, Bernhard; Lemeer, Simone

    2017-01-01

    Phosphorylation is among the most important post-translational modifications of proteins and has numerous regulatory functions across all domains of life. However, phosphorylation is often substoichiometric, requiring selective and sensitive methods to enrich phosphorylated peptides from complex cellular digests. Various methods have been devised for this purpose and we have recently described a Fe-IMAC HPLC column chromatography setup which is capable of comprehensive, reproducible, and selective enrichment of phosphopeptides out of complex peptide mixtures. In contrast to other formats such as StageTips or batch incubations using TiO 2 or Ti-IMAC beads, Fe-IMAC HPLC columns do not suffer from issues regarding incomplete phosphopeptide binding or elution and enrichment efficiency scales linearly with the amount of starting material. Here, we provide a step-by-step protocol for the entire phosphopeptide enrichment procedure including sample preparation (lysis, digestion, desalting), Fe-IMAC column chromatography (column setup, operation, charging), measurement by LC-MS/MS (nHPLC gradient, MS parameters) and data analysis (MaxQuant). To increase throughput, we have optimized several key steps such as the gradient time of the Fe-IMAC separation (15 min per enrichment), the number of consecutive enrichments possible between two chargings (>20) and the column recharging itself (<1 h). We show that the application of this protocol enables the selective (>90 %) identification of more than 10,000 unique phosphopeptides from 1 mg of HeLa digest within 2 h of measurement time (Q Exactive Plus).

  3. Phase Equilibria and Transport Properties in the Systems AgNO3/RCN/H2O. R = CH3, C2H5, C3H7, C4H,, C6H5, and C6H5CH2

    NASA Astrophysics Data System (ADS)

    Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.

    1988-11-01

    Silver nitrate can form homogeneous liquid phases with some organic nitriles and water, even when there is no miscibility between the pure liquid components. We determined the shapes of the single phase regions in the ternary phase diagram for the following systems: silver nitrate /RCN /H2O with R =CH3, C3H7, C6H5, and C6H5CH2 at room temperature and for R =C6H5 also at 60 °C and O °C. Furthermore we studied kinematic viscosities, electrical conductivities, and densities of mixtures containing silver nitrate, RCN, and water with the mole ratios X /4 /1 (0.2≦ X ≦S 3.4). In these cases also R = C2H5 and C4H9 were studied. The organic nitriles show different dependences of viscosity and conductivity on the silver nitrate content from the aliphatic ones.

  4. Hypovalency--a kinetic-energy density description of a 4c-2e bond.

    PubMed

    Jacobsen, Heiko

    2009-06-07

    A bond descriptor based on the kinetic energy density, the localized-orbital locator (LOL), is used to characterize the nature of the chemical bond in electron deficient multi-center bonds. The boranes B(2)H(6), B(4)H(4), B(4)H(10), [B(6)H(6)](2-), and [B(6)H(7)](-) serve as prototypical examples of hypovalent 3c-2e and 4c-2e bonding. The kinetic energy density is derived from a set of Kohn-Sham orbitals obtained from pure density functional calculations (PBE/TZVP), and the topology of LOL is analyzed in terms of (3,-3) attractors (Gamma). The B-B-B and B-H-B 3c-2e, and the B-B-H-B 4c-2e bonding situations are defined by their own characteristic LOL profiles. The presence of one attractor in relation to the three or four atoms that are engaged in electron deficient bonding provides sufficient indication of the type of 3c-2e or 4c-2e bond present. For the 4c-2e bond in [B(6)H(7)](-) the LOL analysis is compared to results from an experimental QTAIM study.

  5. Electric Field Induced Spectra of H sub 2 and D sub 2

    NASA Technical Reports Server (NTRS)

    Boyd, William Joseph

    1974-01-01

    The frequencies of four Q-branch lines of H2 and five Q-branch lines of D2 were measured as a function of density, and their shifts were observed to be in the linear region. The individual slopes and extrapolated zero density frequency of each line was determined. Hydrogen was measured for polarizability using the integrated intensity of the Q1(0) and S1(1), H2 absorption line. A highly automated technique for determining the response function of the spectrometer using digitally recorded data is presented. For the Q1(0) and Q1(1) lines of H2 the halfwidths were measured as a function of electric field intensity at constant pressure, and again at several densities and compared to previously measured widths. Technical and operational details of equipment built for this experiment, and for the five-meter Littrow spectrometer used, are described. Modifications of the spectrometer optics to accept the Stark cell are discussed.

  6. Interpreting activity in H(2)O-H(2)SO(4) binary nucleation.

    PubMed

    Bein, Keith J; Wexler, Anthony S

    2007-09-28

    Sulfuric acid-water nucleation is thought to be a key atmospheric mechanism for forming new condensation nuclei. In earlier literature, measurements of sulfuric acid activity were interpreted as the total (monomer plus hydrate) concentration above solution. Due to recent reinterpretations, most literature values for H(2)SO(4) activity are thought to represent the number density of monomers. Based on this reinterpretation, the current work uses the most recent models of H(2)O-H(2)SO(4) binary nucleation along with perturbation analyses to predict a decrease in critical cluster mole fraction, increase in critical cluster diameter, and orders of magnitude decrease in nucleation rate. Nucleation rate parameterizations available in the literature, however, give opposite trends. To resolve these discrepancies, nucleation rates were calculated for both interpretations of H(2)SO(4) activity and directly compared to the available parameterizations as well as the perturbation analysis. Results were in excellent agreement with older parameterizations that assumed H(2)SO(4) activity represents the total concentration and duplicated the predicted trends from the perturbation analysis, but differed by orders of magnitude from more recent parameterizations that assume H(2)SO(4) activity represents only the monomer. Comparison with experimental measurements available in the literature revealed that the calculations of the current work assuming a(a) represents the total concentration are most frequently in agreement with observations.

  7. H 2 Desorption from MgH 2 Surfaces with Steps and Catalyst-Dopants

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reich, Jason M.; Wang, Lin-Lin; Johnson, Duane D.

    2014-03-10

    Light-metal hydrides, like MgH 2, remain under scrutiny as prototypes for reversible H-storage materials. For MgH 2, we assess hydrogen desorption/adsorption properties (enthalpy and kinetic barriers) for stepped, catalyst-doped surfaces occurring, e.g., from ball-milling in real samples. Employing density functional theory and simulated annealing in a slab model, we studied initial H 2 desorption from stepped surfaces with(out) titanium (Ti) catalytic dopant. Extensive simulated annealing studies were performed to find the dopant’s site preferences. For the most stable initial and final (possibly magnetic) states, nudged elastic band (NEB) calculations were performed to determine the H 2-desorption activation energy. We usedmore » a moment-transition NEB method to account for the dopant’s transition to the lowest-energy magnetic state at each image along the band. We identify a dopant-related surface-desorption mechanism that reloads via bulk H diffusion. While reproducing the observed bulk enthalpy of desorption, we find a decrease of 0.24 eV (a 14% reduction) in the activation energy on doped stepped surface; together with a 22% reduction on a doped flat surface, this brackets the assessed 18% reduction in kinetic barrier for ball-milled MgH 2 samples with low concentration of Ti from experiment.« less

  8. Microwave Plasma-Activated Chemical Vapor Deposition of Nitrogen-Doped Diamond. II: CH4/N2/H2 Plasmas

    PubMed Central

    2016-01-01

    We report a combined experimental and modeling study of microwave-activated dilute CH4/N2/H2 plasmas, as used for chemical vapor deposition (CVD) of diamond, under very similar conditions to previous studies of CH4/H2, CH4/H2/Ar, and N2/H2 gas mixtures. Using cavity ring-down spectroscopy, absolute column densities of CH(X, v = 0), CN(X, v = 0), and NH(X, v = 0) radicals in the hot plasma have been determined as functions of height, z, source gas mixing ratio, total gas pressure, p, and input power, P. Optical emission spectroscopy has been used to investigate, with respect to the same variables, the relative number densities of electronically excited species, namely, H atoms, CH, C2, CN, and NH radicals and triplet N2 molecules. The measurements have been reproduced and rationalized from first-principles by 2-D (r, z) coupled kinetic and transport modeling, and comparison between experiment and simulation has afforded a detailed understanding of C/N/H plasma-chemical reactivity and variations with process conditions and with location within the reactor. The experimentally validated simulations have been extended to much lower N2 input fractions and higher microwave powers than were probed experimentally, providing predictions for the gas-phase chemistry adjacent to the diamond surface and its variation across a wide range of conditions employed in practical diamond-growing CVD processes. The strongly bound N2 molecule is very resistant to dissociation at the input MW powers and pressures prevailing in typical diamond CVD reactors, but its chemical reactivity is boosted through energy pooling in its lowest-lying (metastable) triplet state and subsequent reactions with H atoms. For a CH4 input mole fraction of 4%, with N2 present at 1–6000 ppm, at pressure p = 150 Torr, and with applied microwave power P = 1.5 kW, the near-substrate gas-phase N atom concentration, [N]ns, scales linearly with the N2 input mole fraction and exceeds the concentrations [NH]ns, [NH2]ns

  9. Hopkins Ultraviolet Telescope observations of H2 toward the planetary nebula NGC 1535

    NASA Technical Reports Server (NTRS)

    Bowers, Charles W.; Blair, William P.; Long, Knox S.; Davidsen, Arthur F.

    1995-01-01

    We have observed the far-ultraviolet spectrum (912-1860 A) of the bright high-excitation planetary nebula NGC 1535 with approximately 3 A resolution using the Hopkins Ultraviolet Telescope (HUT) aboard the Astro-1 space shuttle pmission in 1990 December. We see strong continuum emission down to the Lyman limit and strong P Cygni profiles from high-excitation lines such as C IV wavelength 1549, N V wavelength 1240, O V wavelength 1371, and O VI wavelength 1035. Below 1150 A strong absorption bands of H2 are seen, which were unanticipated by us because of the low reddening and high galactic latitude of the object and the absence of detected H2 emission in the infrared. We construct model H2 spectra and convolve them to the HUT resolution for comparison with the NGC 1535 data. We find good agreement with a population distribution characterized by a single temperature (T = 300 K) or a two-temperature model (T = 144/500 K), and determine limits on the H2 column density. While both inter-stellar and circumstellar origins for the observed H2 absorption are plausible, we ascribe the material to the planetary nebula in order to estimate the conditions of excitation and place upper limits on the mass of both H2 and H1 in this system. Because the UV transitions are ground-state connected, we determine a stringent upper limit of 0.03 d(sup 2)(sub 1.6) solar mass on the mass of H2, where d(sub 1.6) is the distance relative to an assumed distance of 1.6 kpc. This value is less model-dependent than IR estimates. Along with the central star and nebular masses, these estimates allow us to limit the main-sequence mass of the progenitor star to less than 1.8 solar mass. This upper limit is consistent with a relatively low-mass extended thick disk or Population II progenitor, as expected for an object approximately 1 kpc off the galactic plane.

  10. Characteristics of supercritical turbulence from Direct Numerical Simulations of C(sub 7)H(sub 16)/N(sub 2) and O(sub 2)/H(sub 2)

    NASA Technical Reports Server (NTRS)

    Okong'o, N. A.; Bellan, J.

    2003-01-01

    Analysis of Direct Numerical Simulations (DNS) transitional states of temporal, supercritical mixing layers for C7H16/N2 and O2/H2 shows that the evolution of all layers is characterized by the formation of high-density-gradient magnitude (HDGM) regions.

  11. The Effect of Column and Eluent Fluorination on the Retention and Separation of non-Fluorinated Amino Acids and Proteins by HPLC

    PubMed Central

    Joyner, Katherine; Wang, Weizhen; Yu, Yihua Bruce

    2011-01-01

    The effect of column and eluent fluorination on the retention and separation of non-fluorinated amino acids and proteins in HPLC is investigated. A side-by-side comparison of fluorocarbon column and eluents (F-column and F-eluents) with their hydrocarbon counterparts (H-column and H-eluents) in the separation of a group of 33 analytes, including 30 amino acids and 3 proteins, is conducted. The H-column and the F-column contain the n-C8H17 group and n-C8F17 group, respectively, in their stationary phases. The H-eluents include ethanol (EtOH) and isopropanol (ISP) while the F-eluents include trifluoroethanol (TFE) and hexafluorosopropanol (HFIP). The 2 columns and 4 eluents generated 8 (column, eluent) pairs that produce 264 retention time data points for the 33 analytes. A statistical analysis of the retention time data reveals that although the H-column is better than the F-column in analyte separation and H-eluents are better than F-eluents in analyte retention, the more critical factor is the proper pairing of column with eluent. Among the conditions explored in this project, optimal retention and separation is achieved when the fluorocarbon column is paired with ethanol, even though TFE is the most polar one among the 4 eluents. This result shows fluorocarbon columns have much potential in chromatographic analysis and separation of non-fluorinated amino acids and proteins. PMID:21318121

  12. Mitigation of Liquefaction in Sandy Soils Using Stone Columns

    NASA Astrophysics Data System (ADS)

    Selcuk, Levent; Kayabalı, Kamil

    2010-05-01

    Soil liquefaction is one of the leading causes of earthquake-induced damage to structures. Soil improvement methods provide effective solutions to reduce the risk of soil liquefaction. Thus, soil ground treatments are applied using various techniques. However, except for a few ground treatment methods, they generally require a high cost and a lot of time. Especially in order to prevent the risk of soil liquefaction, stone columns conctructed by vibro-systems (vibro-compaction, vibro-replacement) are one of the traditional geotechnical methods. The construction of stone columns not only enhances the ability of clean sand to drain excess pore water during an earthquake, but also increases the relative density of the soil. Thus, this application prevents the development of the excess pore water pressure in sand during earthquakes and keeps the pore pressure ratio below a certain value. This paper presents the stone column methods used against soil liquefaction in detail. At this stage, (a) the performances of the stone columns were investigated in different spacing and diameters of columns during past earthquakes, (b) recent studies about design and field applications of stone columns were presented, and (c) a new design method considering the relative density of soil and the capacity of drenage of columns were explained in sandy soil. Furthermore, with this new method, earthquake performances of the stone columns constructed at different areas were investigated before the 1989 Loma Prieta and the 1994 Northbridge earthquakes, as case histories of field applications, and design charts were compiled for suitable spacing and diameters of stone columns with consideration to the different sandy soil parameters and earhquake conditions. Key Words: Soil improvement, stone column, excess pore water pressure

  13. The H IX galaxy survey - II. H I kinematics of H I eXtreme galaxies

    NASA Astrophysics Data System (ADS)

    Lutz, K. A.; Kilborn, V. A.; Koribalski, B. S.; Catinella, B.; Józsa, G. I. G.; Wong, O. I.; Stevens, A. R. H.; Obreschkow, D.; Dénes, H.

    2018-05-01

    By analysing a sample of galaxies selected from the H I Parkes All Sky Survey (HIPASS) to contain more than 2.5 times their expected H I content based on their optical properties, we investigate what drives these H I eXtreme (H IX) galaxies to be so H I-rich. We model the H I kinematics with the Tilted Ring Fitting Code TiRiFiC and compare the observed H IX galaxies to a control sample of galaxies from HIPASS as well as simulated galaxies built with the semi-analytic model DARK SAGE. We find that (1) H I discs in H IX galaxies are more likely to be warped and more likely to host H I arms and tails than in the control galaxies, (2) the average H I and average stellar column density of H IX galaxies is comparable to the control sample, (3) H IX galaxies have higher H I and baryonic specific angular momenta than control galaxies, (4) most H IX galaxies live in higher spin haloes than most control galaxies. These results suggest that H IX galaxies are H I-rich because they can support more H I against gravitational instability due to their high specific angular momentum. The majority of the H IX galaxies inherits their high specific angular momentum from their halo. The H I content of H IX galaxies might be further increased by gas-rich minor mergers. This paper is based on data obtained with the Australia Telescope Compact Array through the large program C 2705.

  14. Mini-columns for Conducting Breakthrough Experiments. Design and Construction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dittrich, Timothy M.; Reimus, Paul William; Ware, Stuart Douglas

    Experiments with moderately and strongly sorbing radionuclides (i.e., U, Cs, Am) have shown that sorption between experimental solutions and traditional column materials must be accounted for to accurately determine stationary phase or porous media sorption properties (i.e., sorption site density, sorption site reaction rate coefficients, and partition coefficients or K d values). This report details the materials and construction of mini-columns for use in breakthrough columns to allow for accurate measurement and modeling of sorption parameters. Material selection, construction techniques, wet packing of columns, tubing connections, and lessons learned are addressed.

  15. HPLC column-switching technique for sample preparation and fluorescence determination of propranolol in urine using fused-core columns in both dimensions.

    PubMed

    Satínský, Dalibor; Havlíková, Lucie; Solich, Petr

    2013-08-01

    A new and fast high-performance liquid chromatography (HPLC) column-switching method using fused-core columns in both dimensions for sample preconcentration and determination of propranolol in human urine has been developed. On-line sample pretreatment and propranolol preconcentration were performed on an Ascentis Express RP-C-18 guard column (5 × 4.6 mm), particle size, 2.7 μm, with mobile phase acetonitrile/water (5:95, v/v) at a flow rate of 2.0 mL min(-1) and at a temperature of 50 °C. Valve switch from pretreatment column to analytical column was set at 4.0 min in a back-flush mode. Separation of propranolol from other endogenous urine compounds was achieved on the fused-core column Ascentis Express RP-Amide (100 × 4.6 mm), particle size, 2.7 μm, with mobile phase acetonitrile/water solution of 0.5% triethylamine, pH adjusted to 4.5 by means of glacial acetic acid (25:75, v/v), at a flow rate of 1.0 mL min(-1) and at a temperature of 50 °C. Fluorescence excitation/emission detection wavelengths were set at 229/338 nm. A volume of 1,500 μL of filtered urine sample solution was injected directly into the column-switching HPLC system. The total analysis time including on-line sample pretreatment was less than 8 min. The experimentally determined limit of detection of the method was found to be 0.015 ng mL(-1).

  16. Antibody-immobilized column for quick cell separation based on cell rolling.

    PubMed

    Mahara, Atsushi; Yamaoka, Tetsuji

    2010-01-01

    Cell separation using methodological standards that ensure high purity is a very important step in cell transplantation for regenerative medicine and for stem cell research. A separation protocol using magnetic beads has been widely used for cell separation to isolate negative and positive cells. However, not only the surface marker pattern, e.g., negative or positive, but also the density of a cell depends on its developmental stage and differentiation ability. Rapid and label-free separation procedures based on surface marker density are the focus of our interest. In this study, we have successfully developed an antiCD34 antibody-immobilized cell-rolling column, that can separate cells depending on the CD34 density of the cell surfaces. Various conditions for the cell-rolling column were optimized including graft copolymerization, and adjustment of the column tilt angle, and medium flow rate. Using CD34-positive and -negative cell lines, the cell separation potential of the column was established. We observed a difference in the rolling velocities between CD34-positive and CD34-negative cells on antibody-immobilized microfluidic device. Cell separation was achieved by tilting the surface 20 degrees and the increasing medium flow. Surface marker characteristics of the isolated cells in each fraction were analyzed using a cell-sorting system, and it was found that populations containing high density of CD34 were eluted in the delayed fractions. These results demonstrate that cells with a given surface marker density can be continuously separated using the cell rolling column.

  17. High temperature kinetic study of the reactions H + O2 = OH + O and O + H2 = OH + H in H2/O2 system by shock tube-laser absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Ryu, Si-Ok; Hwang, Soon Muk; Dewitt, Kenneth J.

    1995-01-01

    The reactions: (1) H + O2 = OH + O; and (2) O + H2 = OH + H are the most important elementary reactions in gas phase combustion. They are the main chain-branching reaction in the oxidation of H2 and hydrocarbon fuels. In this study, rate coefficients of the reactions and have been measured over a wide range of composition, pressure, density and temperature behind the reflected shock waves. The experiments were performed using the shock tube - laser absorption spectroscopic technique to monitor OH radicals formed in the shock-heated H2/O2/Ar mixtures. The OH radicals were detected using the P(1)(5) line of (0,0) band of the A(exp 2) Sigma(+) from X(exp 2) Pi transition of OH at 310.023 nm (air). The data were analyzed with the aid of computer modeling. In the experiments great care was exercised to obtain high time resolution, linearity and signal-to-noise. The results are well represented by the Arrhenius expressions. The rate coefficient expression for reaction (1) obtained in this study is k(1) = (7.13 +/- 0.31) x 10(exp 13) exp(-6957+/- 30 K/T) cu cm/mol/s (1050 K less than or equal to T less than or equal to 2500 K) and a consensus expression for k(1) from a critical review of the most recent evaluations of k(1) (including our own) is k(1) = 7.82 x 10(exp 13) exp(-7105 K/T) cu cm/mol/s (960 K less than or equal to T less than or equal to 5300 K). The rate coefficient expression of k(2) is given by k(2) = (1.88 +/- 0.07) x 10(exp 14) exp(-6897 +/- 53 K/T) cu cm/mol/s (1424 K less than or equal to T less than or equal to 2427 K). For k(1), the temperature dependent A-factor and the correlation between the values of k(1) and the inverse reactant densities were not found. In the temperature range of this study, non-Arrhenius expression of k(2) which shows the upward curvature was not supported.

  18. Distinct Effects of Humic Acid on Transport and Retention of TiO2 Rutile Nanoparticles in Saturated Sand Column

    EPA Science Inventory

    Distinct effects of humic acid (HA, 0 – 10 mg L-1) on the transport of titanium dioxide (rutile) nanoparticles (nTiO2) through saturated sand columns were observed under conditions of environmental relevance (ionic strength 3 – 200 mM NaCl, pH 5.7 and 9.0). Specifical...

  19. Central 300 PC of the Galaxy Probed by the Infrared Spectra of H_3^+ and Co: I. Predominance of Warm and Diffuse Gas and High H_2 Ionization Rate

    NASA Astrophysics Data System (ADS)

    Oka, Takeshi; Geballe, Thomas R.; Goto, Miwa; Usuda, Tomonori; Indriolo, Nick

    2016-06-01

    A low-resolution 2.0-2.5 μm survey of ˜500 very red point-like objects in the Central Molecular Zone (CMZ) of our Galaxy, initiated in 2008, has revealed many new bright objects with featureless spectra that are suitable for high resolution absorption spectroscopy of H_3^+ and CO. We now have altogether 48 objects mostly close to the Galactic plane located from 142 pc to the west of Sgr A* to 120 pc east allowing us to probe dense and diffuse gas by H_3^+ and dense gas by CO. Our observations demonstrate that the warm (˜250 K) and diffuse (≤100 cm-3) gas with a large column length (≥30 pc) initially observed toward the brightest star in the CMZ, GCS3-2 of the Quintuplet Cluster, exists throughout the CMZ with the surface filling factor of ˜ 100% dominating the region. The column densities of CO in the CMZ are found to be much less than those in the three foreground spiral arms except in the directions of Sgr B and Sgr E complexes and indicate that the volume filling factor of dense clouds of 10% previously estimated is a gross overestimate for the front half of the CMZ. Nevertheless the predominance of the newly found diffuse molecular gas makes the term "Central Molecular Zone" even more appropriate. The ultra-hot X-rays emitting plasma which some thought to dominate the region must be non existent except near the stars and SNRs. Recently the H_2 fraction f(H_2) in diffuse gas of the CMZ has been reported to be ˜0.6. If we use this value, the cosmic ray H_2 ionization rate ζ of a few times 10-15 s-1 reported earlier^b on the assumption of f(H_2)=1 needs to be increased by a factor of ˜3 since the value is approximately inversely proportional to f(H_2)^2. Geballe, T. R., Oka, T., Lambridges, E., Yeh, S. C. C., Schlegelmilch, B., Goto, M., Westrick, C. W., WI07 at the 70th ISMS, Urbana, IL, USA,2015 Oka, T., Geballe, T. R., Goto, M., Usuda, T., McCall, B. J. 2005, ApJ, 632, 882 Le Petit, F., Ruaud, M., Bron, E., Godard, B., Roueff, E., Languignon, D., Le

  20. Hydrogen peroxide stabilization in one-dimensional flow columns.

    PubMed

    Schmidt, Jeremy T; Ahmad, Mushtaque; Teel, Amy L; Watts, Richard J

    2011-09-25

    Rapid hydrogen peroxide decomposition is the primary limitation of catalyzed H(2)O(2) propagations in situ chemical oxidation (CHP ISCO) remediation of the subsurface. Two stabilizers of hydrogen peroxide, citrate and phytate, were investigated for their effectiveness in one-dimensional columns of iron oxide-coated and manganese oxide-coated sand. Hydrogen peroxide (5%) with and without 25 mM citrate or phytate was applied to the columns and samples were collected at 8 ports spaced 13 cm apart. Citrate was not an effective stabilizer for hydrogen peroxide in iron-coated sand; however, phytate was highly effective, increasing hydrogen peroxide residuals two orders of magnitude over unstabilized hydrogen peroxide. Both citrate and phytate were effective stabilizers for manganese-coated sand, increasing hydrogen peroxide residuals by four-fold over unstabilized hydrogen peroxide. Phytate and citrate did not degrade and were not retarded in the sand columns; furthermore, the addition of the stabilizers increased column flow rates relative to unstabilized columns. These results demonstrate that citrate and phytate are effective stabilizers of hydrogen peroxide under the dynamic conditions of one-dimensional columns, and suggest that citrate and phytate can be added to hydrogen peroxide before injection to the subsurface as an effective means for increasing the radius of influence of CHP ISCO. Copyright © 2011. Published by Elsevier B.V.

  1. Dynamics of the formation and loss of boron atoms in a H2/B2H6 microwave plasma

    NASA Astrophysics Data System (ADS)

    Duluard, C. Y.; Aubert, X.; Sadeghi, N.; Gicquel, A.

    2016-09-01

    For further improvements in doped-diamond deposition technology, an understanding of the complex chemistry in H2/CH4/B2H6 plasmas is of general importance. In this context, a H2/B2H6 plasma ignited by microwave power in a near resonant cavity at high pressure (100-200 mbar) is studied to measure the B-atom density in the ground state. The discharge is ignited in the gas mixture (0-135 ppm B2H6 in H2) by a 2.45 GHz microwave generator, leading to the formation of a hemispheric plasma core, surrounded by a faint discharge halo filling the remaining reactor volume. Measurements with both laser induced fluorescence and resonant absoption with a boron hollow cathode lamp indicate that the B-atom density is higher in the halo than in the plasma core. When the absorption line-of-sight is positioned in the halo, the absorption is so strong that the upper detection limit is reached. To understand the mechanisms of creation and loss of boron atoms, time-resolved absorption measurements have been carried out in a pulsed plasma regime (10 Hz, duty cycle 50%). The study focuses on the influence of the total pressure, the partial pressure of B2H6, as well as the source power, on the growth and decay rates of boron atoms when the plasma is turned off.

  2. Density Functional Theory Study of the Reaction between d0 Tungsten Alkylidyne Complexes and H2O: Addition versus Hydrolysis.

    PubMed

    Chen, Ping; Zhang, Linxing; Xue, Zi-Ling; Wu, Yun-Dong; Zhang, Xinhao

    2017-06-19

    The reactions of early-transition-metal complexes with H 2 O have been investigated. An understanding of these elementary steps promotes the design of precursors for the preparation of metal oxide materials or supported heterogeneous catalysts. Density functional theory (DFT) calculations have been conducted to investigate two elementary steps of the reactions between tungsten alkylidyne complexes and H 2 O, i.e., the addition of H 2 O to the W≡C bond and ligand hydrolysis. Four tungsten alkylidyne complexes, W(≡CSiMe 3 )(CH 2 SiMe 3 ) 3 (A-1), W(≡CSiMe 3 )(CH 2 t Bu) 3 (B-1), W(≡C t Bu)(CH 2 t Bu) 3 (C-1), and W(≡C t Bu)(O t Bu) 3 (D-1), have been compared. The DFT studies provide an energy profile of the two competing pathways. An additional H 2 O molecule can serve as a proton shuttle, accelerating the H 2 O addition reaction. The effect of atoms at the α and β positions has also been examined. Because the lone-pair electrons of an O atom at the α position can interact with the orbital of the proton, the barrier of the ligand-hydrolysis reaction for D-1 is dramatically reduced. Both the electronic and steric effects of the silyl group at the β position lower the barriers of both the H 2 O addition and ligand-hydrolysis reactions. These new mechanistic findings may lead to the further development of metal complex precursors.

  3. Phase Transition of H 2 in Subnanometer Pores Observed at 75 K

    DOE PAGES

    Olsen, Raina J.; Gillespie, Andrew K.; Contescu, Cristian I.; ...

    2017-10-30

    In this paper, we report a phase transition in H 2 adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5–0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly. The phase transition is observed at 75 K, temperatures far higher than other systems in which an adsorbent is known to increase phase transition temperatures: for instance, H 2 melts at 14 K in the bulk, but at 20 K on graphite because the solid H 2 is stabilized by the surface structure. Here we observe a transition at 75 Kmore » and 77–200 bar: from a low-temperature, low-density phase to a high-temperature, higher density phase. We model the low-density phase as a monolayer commensurate solid composed mostly of para-H 2 (the ground nuclear spin state, S = 0) and the high-density phase as an orientationally ordered bilayer commensurate solid composed mostly of ortho-H 2 (S = 1). We attribute the increase in density with temperature to the fact that the oblong ortho-H 2 can pack more densely. The transition is observed using two experiments. The high-density phase is associated with an increase in neutron backscatter by a factor of 7.0 ± 0.1. Normally, hydrogen produces no backscatter (scattering angle >90°). This backscatter appears along with a discontinuous increase in the excitation mass from 1.2 amu to 21.0 ± 2.3 amu, which we associate with collective nuclear spin excitations in the orientationally ordered phase. Film densities were measured using hydrogen adsorption. Finally, no phase transition was observed in H 2 adsorbed in control activated carbon materials.« less

  4. Phase Transition of H 2 in Subnanometer Pores Observed at 75 K

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Olsen, Raina J.; Gillespie, Andrew K.; Contescu, Cristian I.

    In this paper, we report a phase transition in H 2 adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5–0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly. The phase transition is observed at 75 K, temperatures far higher than other systems in which an adsorbent is known to increase phase transition temperatures: for instance, H 2 melts at 14 K in the bulk, but at 20 K on graphite because the solid H 2 is stabilized by the surface structure. Here we observe a transition at 75 Kmore » and 77–200 bar: from a low-temperature, low-density phase to a high-temperature, higher density phase. We model the low-density phase as a monolayer commensurate solid composed mostly of para-H 2 (the ground nuclear spin state, S = 0) and the high-density phase as an orientationally ordered bilayer commensurate solid composed mostly of ortho-H 2 (S = 1). We attribute the increase in density with temperature to the fact that the oblong ortho-H 2 can pack more densely. The transition is observed using two experiments. The high-density phase is associated with an increase in neutron backscatter by a factor of 7.0 ± 0.1. Normally, hydrogen produces no backscatter (scattering angle >90°). This backscatter appears along with a discontinuous increase in the excitation mass from 1.2 amu to 21.0 ± 2.3 amu, which we associate with collective nuclear spin excitations in the orientationally ordered phase. Film densities were measured using hydrogen adsorption. Finally, no phase transition was observed in H 2 adsorbed in control activated carbon materials.« less

  5. Investigation into the disparate origin of CO 2 and H 2O outgassing for comet 67P

    NASA Astrophysics Data System (ADS)

    Fink, Uwe; Doose, Lyn; Rinaldi, Giovanna; Capaccioni, Fabrizio; Bockelee-Morvan, Dominique; VIRTIS Team

    2016-10-01

    We present an investigation of the emission intensity of CO2 and H2O and their distribution in the coma of 67P/ Churyumov-Gerasimenko obtained by the VIRTIS-M imaging spectrometer on the Rosetta mission. We analyze 4 data cubes from Feb. 28, and 7 data cubes from April 27, 2015. For both data sets the spacecraft was at a sufficiently large distance from the comet to allow images of the whole nucleus and the surrounding coma.We find that unlike water which has a reasonably predictable behavior and correlates well with the solar illumination, CO2 outgasses mostly in local regions or spots. Furthermore for the data on April 27, the CO2 evolves almost exclusively from the southern hemisphere, a region of the comet that has not received solar illumination since the comet's last perihelion passage. Because CO2 and H2O have such disparate origins, deriving mixing ratios from local column density measurements cannot provide a meaningful measurement of the CO2/H2O ratio in the coma of the comet. We obtain total production rates of H2O and CO2 by integrating the band intensity in an annulus surrounding the nucleus and obtain pro-forma production rate CO2/H2O mixing ratios of ~5.0% and ~2.5% for Feb. 28 and April 27 respectively. Because of the highly variable nature of the CO2 evolution we do not believe that these numbers are diagnostic of the comets bulk CO2/H2O composition. We believe that our investigation provides an explanation for the large observed variations reported in the literature for the CO2/H2O production rate ratios. Our mixing ratio maps indicate that, besides the difference in vapor pressure of the two gases, this ratio depends on the comet's geometric shape, illumination and past orbital history.Our annulus measurement for the total water production for Feb. 28 at 2.21AU from the sun is 2.5x1026 molecules/s while for April 27 at 1.76 AU it is 4.65x1026. We find that about 83% of the H2O resides in the illuminated portion of our annulus and about 17% on the

  6. Discovery of the elusive radical NCO and confirmation of H2NCO+ in space

    NASA Astrophysics Data System (ADS)

    Marcelino, N.; Agúndez, M.; Cernicharo, J.; Roueff, E.; Tafalla, M.

    2018-05-01

    The isocyanate radical (NCO) is the simplest molecule containing the backbone of the peptide bond, C(=O)-N. This bond has a prebiotic interest since it links two amino acids to form large chains of proteins. It is also present in some organic molecules observed in space such as HNCO, NH2CHO, and CH3NCO. In this letter, we report the first detection in space of NCO towards the dense core L483. We also report the identification of the ion H2NCO+, which definitively confirms its presence in space, and observations of HNCO, HOCN, and HCNO in the same source. For NCO, we derive a column density of 2.2 × 1012 cm-2, which means that it is only 5 times less abundant than HNCO. We find that H2NCO+, HOCN, and HCNO have abundances relative to HNCO of 1/400, 1/80, and 1/160, respectively. Both NCO and H2NCO+ are involved in the production of HNCO and several of its isomers. We have updated our previous chemical models involving NCO and the production of the CHNO isomers. Taking into account the uncertainties in the model, the observed abundances are reproduced relatively well. Indeed, the detection of NCO and H2NCO+ in L483 supports the chemical pathways to the formation of the detected CHNO isomers. Sensitive observations of NCO in sources in which other molecules containing the C(=O)-N subunit have been detected could help elucidate its role in prebiotic chemistry in space. Based on observations carried out with the IRAM 30 m telescope. IRAM is supported by INSU/CNRS (France), MPG (Germany), and IGN (Spain).

  7. Distinct Effects of Humic Acid on Transport and Retention of TiO2 Rutile Nanoparticles in Saturated Sand Columns

    EPA Science Inventory

    The distinct effects of humic acid (HA, 0−10 mg L−1) on the transport of titanium dioxide (rutile) nanoparticles (nTiO2) through saturated sand columns were observed under conditions of environmental relevance (ionic strength 3−200 mM NaCl, pH 5.7 and 9.0). Specifically, the tra...

  8. A Computational Investigation of the Oxidative Deboronation of BoroGlycine, H2N–CH2–B(OH)2, Using H2O and H2O2

    PubMed Central

    Larkin, Joseph D.; Markham, George D.; Milkevitch, Matt; Brooks, Bernard R.; Bock, Charles W.

    2014-01-01

    We report results from a computational investigation of the oxidative deboronation of BoroGlycine, H2N–CH2–B(OH)2, using H2O and H2O2 as the reactive oxygen species (ROS) to yield aminomethanol, H2N–CH2–OH; these results complement our study on the protodeboronation of BoroGlycine to produce methylamine, H2N–CH3 (Larkin et al. J. Phys. Chem. A, 111, 6489–6500, 2007). Second-order Møller-Plesset (MP2) perturbation theory with Dunning-Woon correlation-consistent (cc) basis sets were used for the calculations with comparisons made to results from Density Functional Theory (DFT) at the PBE1PBE/6-311++G(d,p)(cc-pVDZ) levels. The effects of a bulk aqueous environment were also incorporated into the calculations employing PCM and CPCM methodology. Using H2O as the ROS, the reaction H2O + H2N–CH2–B(OH)2H2N–CH2–OH + H–B(OH)2 was calculated to be endothermic, the value of ΔH2980 was +12.0 kcal/mol at the MP2(FC)/cc-pVTZ computational level in vacuo and +13.7 kcal/mol in PCM aqueous media; the corresponding value for the activation barrier, ΔH‡, was +94.3 kcal/mol relative to the separated reactants in vacuo and +89.9 kcal/mol in PCM aqueous media. In contrast, the reaction H2O2 + H2N–CH2–B(OH)2H2N–CH2–OH + B(OH)3 was calculated to be highly exothermic with a ΔH2980 value of −100.9 kcal/mol at the MP2(FC)/cc-pVTZ computational level in vacuo and −99.6 kcal/mol in CPCM aqueous media; the highest-energy transition state for the multi-step process associated with this reaction involved the rearrangement of H2N–CH2–B(OH)(OOH) to H2N–CH2–O–B(OH)2 with a ΔH‡ value of +23.2 kcal/mol in vacuo relative to the separated reactants. These computational results for BoroGlycine are in accord with the experimental observations for the deboronation of the FDA approved anti-cancer drug Bortezomib (Velcade™, PS-341) where it was found to be the principle deactivation pathway. (Labutti et al. Chem. Res. Toxicol., 19, 539–546

  9. High-density mammalian cell cultures in stirred-tank bioreactor without external pH control.

    PubMed

    Xu, Sen; Chen, Hao

    2016-08-10

    Maintaining desired pH is a necessity for optimal cell growth and protein production. It is typically achieved through a two-sided pH control loop on the bioreactor controller. Here we investigated cell culture processes with minimum or no pH control and demonstrated that high-density mammalian cell cultures could be maintained for long-term protein production without pH control. The intrinsic interactions between pCO2, lactate, and pH were leveraged to maintain culture pH. Fed-batch cultures at the same lower pH limit of 6.75 but different upper pH limits (7.05, 7.30, 7.45, 7.65) were evaluated in the 3L bioreactors and comparable results were obtained. Neither CO2 sparging nor base addition was required to control pH in the pH range of 6.75-7.65. The impact of sparger configurations (drilled hole sparger vs. frit sparger) and scales (3L vs. 200L) on CO2 accumulation and culture pH was also demonstrated. The same principle was applied in two perfusion cultures with steady state cell densities at 42.5±3.3 or 68.3±6.0×10(6)cells/mL with low cell specific perfusion rates (15±2 to 23±3pL/cell/day), achieving up to 1.9±0.1g/L/day bioreactor productivity. Culture pH level in the 3L perfusion bioreactors was steadily maintained by controlling the residual lactate and pCO2 levels without the requirement of external pH control for up to 40days with consistent productivity and product quality. Furthermore, culture pH could be potentially modulated via adjusting residual glucose levels and CO2 stripping capability in perfusion cultures. To the best of our knowledge, this is the first time a systematic study was performed to evaluate the long-term cell cultivation and protein production in stirred-tank bioreactors without external pH control. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. HPLC separation post-column reaction, UV-visible and fluorescence detection of trace UO/sub 2//sup 2 +//U/sup 4 +/ species in aqueous solutions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Karimi, A.R.

    In this study a method for the measurement of uranium in natural waters at sub-ppB concentration levels by the separation and determination of U/sup 4 +/ and UO/sub 2//sup 2 +/ species is proposed. Reversed phase high performance liquid chromatography, followed by a post-column reaction and a sensitive UV-visible detection system was the method of choice to determine qualitatively and quantitatively the two uranium species. Also a cation-exchange and fluorescence detection system was studied for separation and determination of UO/sub 2//sup 2 +/ ions. Uranyl ion was selectively complexed with L-phenylalanine moetie in the sample solution containing U/sup 4 +/more » ions. Uranium (IV)/U(VI)-ligand was separated on a C/sub 18/ column with acetate buffer. Hexanesulfonate was found to be the choice for ion-pair reagent. The separation was best done with the acetate buffer at .01 M concentration and pH of 3.5. Absorption of the two species were measured after a post-column reaction with Arsenazo-III. Chromatographic parameters were calculated and a calibration curves were constructed. The detection limit for the procedure was 0.7 ..mu..g/mo and 1.2..mu..g/ml for U(IV) and U(VI) respectively. When U(VI) was separated on the cation-exchange column the limit of detection was calculated to be 1 ..mu..g/ml. The direct fluorometric method for U(VI) measurement results in a detection limit of 2 ppB and upper concentration limit of 2 ppM. The effect of interfering ions in the direct method of determination could be eliminated by dilution of sample solution.« less

  11. Relationship between synoptic scale weather systems and column averaged atmospheric CO2

    NASA Astrophysics Data System (ADS)

    Naja, M.; Yaremchuk, A.; Onishi, R.; Maksyutov, S.; Inoue, G.

    2005-12-01

    Analysis of the atmospheric CO2 observations with transport models contributes to the understanding of the geographical distributions of CO2 sources and sinks. Space-borne sensors could be advantageous for CO2 measurements as they can provide wider spatial and temporal coverage. Inversion studies have suggested requirement of better than 1% precision for the space-borne observations. Since sources and sinks are inferred from spatial and temporal gradients in CO2, the space-borne observations must have no significant geographically varying biases. To study the dynamical biases in column CO2 due to possible correlation between clouds and atmospheric CO2 at synoptic scale, we have made simulations of CO2 (1988-2003) using NIES tracer transport model. Model resolution is 2.5o x 2.5o in horizontal and it has 15 vertical sigma-layers. Fluxes for (1) fossil fuels, (2) terrestrial biosphere (CASA NEP), (3) the oceans, and (4) inverse model derived monthly regional fluxes from 11 land and 11 ocean regions are used. SVD truncation is used to filter out noise in the inverse model flux time series. Model reproduces fairly well CO2 global trend and observed time series at monitoring sites around the globe. Lower column CO2 concentration is simulated inside cyclonic systems in summer over North hemispheric continental areas. Surface pressure is used as a proxy for dynamics and it is demonstrated that anomalies in column averaged CO2 has fairly good correlation with the anomalies in surface pressure. Positive correlation, as high as 0.7, has been estimated over parts of Siberia and N. America in summer time. Our explanation is based on that the low-pressure system is associated the upward motion, which leads to lower column CO2 values over these regions due to lifting of CO2-depleted summertime PBL air, and higher column CO2 over source areas. A sensitivity study without inverse model fluxes shows same correlation. The low-pressure systems' induced negative biases are 0

  12. Chromatography of blood-clotting factors and serum proteins on columns of diatomaceous earth.

    PubMed

    MILSTONE, J H

    1955-07-20

    1. In batch adsorptions with prothrombin solutions, hyflo was the weakest adsorbent, standard super-cel intermediate, and filter-cel strongest. Of these three grades of diatomaceous earth, hyflo has the smallest surface area per gram and filter-cel the largest. In parallel breakthrough experiments, a column of standard super-cel had a capacity almost six times that of a hyflo column. 2. After partial removal of impurities by diatomaceous earth, prothrombin preparations contained less thrombokinase, were more stable, and displayed less tendency to form thrombin "spontaneously." Thrombokinase (or its precursor) was removed from a preparation of prothrombin by passage through a filter cake of standard super-cel. The specific activity of the prothrombin was increased; and 62 per cent of the activity was recovered. 3. Prothrombin was adsorbed from an ammonium sulfate solution at pH 5.26 by columns of hyflo or standard super-cel. When eluted by phosphate solutions, the protein moved down the columns more readily at higher pH and higher concentration of phosphate salts, within the pH range 5.0 to 6.6, and within the phosphate range 0.1 to 1.0 M. 4. Thrombin was adsorbed on a column of standard super-cel at pH 5.11. As successive eluents passed through the column, the thrombin emerged between two bands of impurities. The specific activity of the thrombin was raised; and 83 per cent of the activity was recovered. 5. With a column of standard super-cel, and with a series of eluents within the pH range 5.1 to 6.3, total serum proteins were separated into four major bands. About 94 per cent of the protein was recovered.

  13. CHROMATOGRAPHY OF BLOOD-CLOTTING FACTORS AND SERUM PROTEINS ON COLUMNS OF DIATOMACEOUS EARTH

    PubMed Central

    Milstone, J. H.

    1955-01-01

    1. In batch adsorptions with prothrombin solutions, hyflo was the weakest adsorbent, standard super-cel intermediate, and filter-cel strongest. Of these three grades of diatomaceous earth, hyflo has the smallest surface area per gram and filter-cel the largest. In parallel breakthrough experiments, a column of standard super-cel had a capacity almost six times that of a hyflo column. 2. After partial removal of impurities by diatomaceous earth, prothrombin preparations contained less thrombokinase, were more stable, and displayed less tendency to form thrombin "spontaneously." Thrombokinase (or its precursor) was removed from a preparation of prothrombin by passage through a filter cake of standard super-cel. The specific activity of the prothrombin was increased; and 62 per cent of the activity was recovered. 3. Prothrombin was adsorbed from an ammonium sulfate solution at pH 5.26 by columns of hyflo or standard super-cel. When eluted by phosphate solutions, the protein moved down the columns more readily at higher pH and higher concentration of phosphate salts, within the pH range 5.0 to 6.6, and within the phosphate range 0.1 to 1.0 M. 4. Thrombin was adsorbed on a column of standard super-cel at pH 5.11. As successive eluents passed through the column, the thrombin emerged between two bands of impurities. The specific activity of the thrombin was raised; and 83 per cent of the activity was recovered. 5. With a column of standard super-cel, and with a series of eluents within the pH range 5.1 to 6.3, total serum proteins were separated into four major bands. About 94 per cent of the protein was recovered. PMID:13242761

  14. Preparative isolation of alkaloids from Dactylicapnos scandens using pH-zone-refining counter-current chromatography by changing the length of the separation column.

    PubMed

    Wang, Xiao; Dong, Hongjing; Yang, Bin; Liu, Dahui; Duan, Wenjuan; Huang, Luqi

    2011-12-01

    pH-Zone-refining counter-current chromatography was successfully applied for the preparative separation of alkaloids from Dactylicapnos scandens. The two-phase solvent system was composed of petroleum ether-ethyl acetate-methanol-water (3:7:1:9, v/v), where 20 mM of triethylamine (TEA) was added to the upper phase as a retainer and 5 mM of hydrochloric acid (HCl) to the aqueous phase as an eluter. In this experiment, the apparatus with an adjustable length of the separation column was used for the separation of alkaloids from D. scandens and the resolution of the compounds can be remarkably improved by increasing the length of the separation column. As a result, 70 mg protopin, 30 mg (+) corydine, 120 mg (+) isocorydine and 40 mg (+) glaucine were obtained from 1.0 g of the crude extracts and each with 99.2%, 96.5%, 99.3%, 99.5% purity as determined by HPLC. The chemical structures of these compounds were confirmed by positive ESI-MS and (1)H NMR. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. Adsorption of H2O, H2, O2, CO, NO, and CO2 on graphene/g-C3N4 nanocomposite investigated by density functional theory

    NASA Astrophysics Data System (ADS)

    Wu, Hong-Zhang; Bandaru, Sateesh; Liu, Jin; Li, Li-Li; Wang, Zhenling

    2018-02-01

    Motivated by the photocatalytic reactions of small molecules on g-C3N4 by these insights, we sought to explore the adsorption of H2O and CO2 molecules on the graphene side and H2O, H2, O2, CO, NO, and CO2 molecules on the g-C3N4 side of hybrid g-C3N4/graphene nanocomposite using first-principles calculations. The atomic structure and electronic properties of hybrid g-C3N4/graphene nanocomposite is explored. The adsorption of small molecules on graphene/g-C3N4 nanocomposite is thoroughly investigated. The computational studies revels that all small molecules on graphene/g-C3N4 nanocomposite are the physisorption. The adsorption characteristics of H2O and CO2 molecules on the graphene side are similar to that on graphene. The adsorption of H2O, H2, O2, CO, NO, and CO2 molecules on the g-C3N4 side always leads to a buckle structure of graphene/g-C3N4 nanocomposite. Graphene as a substrate can significantly relax the buckle degree of g-C3N4 in g-C3N4/graphene nanocomposite.

  16. H-TiO(2) @MnO(2) //H-TiO(2) @C core-shell nanowires for high performance and flexible asymmetric supercapacitors.

    PubMed

    Lu, Xihong; Yu, Minghao; Wang, Gongming; Zhai, Teng; Xie, Shilei; Ling, Yichuan; Tong, Yexiang; Li, Yat

    2013-01-11

    A flexible solid-state asymmetric supercapacitor device with H-TiO(2) @MnO(2) core-shell NWs as the positive electrode and H-TiO(2) @C core-shell NWs as the negative electrode is developed. This device operates in a 1.8 V voltage window and is able to deliver a high specific capacitance of 139.6 F g(-1) and maximum volumetric energy density of 0.30 mWh cm(-3) with excellent cycling performance and good flexibility. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. The Abundance of C2H4 in the Circumstellar Envelope of IRC+10216.

    PubMed

    Fonfría, J P; Hinkle, K H; Cernicharo, J; Richter, M J; Agúndez, M; Wallace, L

    2017-02-01

    High spectral resolution mid-IR observations of ethylene (C 2 H 4 ) towards the AGB star IRC+10216 were obtained using the Texas Echelon Cross Echelle Spectrograph (TEXES) at the NASA Infrared Telescope Facility (IRTF). Eighty ro-vibrational lines from the 10.5 µ m vibrational mode ν 7 with J ≲ 30 were detected in absorption. The observed lines are divided into two groups with rotational temperatures of 105 and 400 K (warm and hot lines). The warm lines peak at ≃ -14 km s -1 with respect to the systemic velocity, suggesting that they are mostly formed outwards from ≃ 20 R ⋆ . The hot lines are centered at -10 km s -1 indicating that they come from a shell between 10 and 20 R ⋆ . 35% of the observed lines are unblended and can be fitted with a code developed to model the emission of a spherically symmetric circumstellar envelope. The analysis of several scenarios reveal that the C 2 H 4 abundance relative to H 2 in the range 5 - 20 R ⋆ is 6.9 × 10 -8 in average and it could be as high as 1.1 × 10 -7 . Beyond 20 R ⋆ , it is 8.2 × 10 -8 . The total column density is (6.5 ± 3.0) × 10 15 cm -2 . C 2 H 4 is found to be rotationally under local thermodynamical equilibrium (LTE) and vibrationally out of LTE. One of the scenarios that best reproduce the observations suggests that up to 25% of the C 2 H 4 molecules at 20 R ⋆ could condense onto dust grains. This possible depletion would not influence significantly the gas acceleration although it could play a role in the surface chemistry on the dust grains.

  18. The Abundance of C2H4 in the Circumstellar Envelope of IRC+10216

    PubMed Central

    Fonfría, J. P.; Hinkle, K. H.; Cernicharo, J.; Richter, M. J.; Agúndez, M.

    2017-01-01

    High spectral resolution mid-IR observations of ethylene (C2H4) towards the AGB star IRC+10216 were obtained using the Texas Echelon Cross Echelle Spectrograph (TEXES) at the NASA Infrared Telescope Facility (IRTF). Eighty ro-vibrational lines from the 10.5 µm vibrational mode ν7 with J ≲ 30 were detected in absorption. The observed lines are divided into two groups with rotational temperatures of 105 and 400 K (warm and hot lines). The warm lines peak at ≃ −14 km s−1 with respect to the systemic velocity, suggesting that they are mostly formed outwards from ≃ 20R⋆. The hot lines are centered at −10 km s−1 indicating that they come from a shell between 10 and 20R⋆. 35% of the observed lines are unblended and can be fitted with a code developed to model the emission of a spherically symmetric circumstellar envelope. The analysis of several scenarios reveal that the C2H4 abundance relative to H2 in the range 5 − 20R⋆ is 6.9 × 10−8 in average and it could be as high as 1.1 × 10−7. Beyond 20R⋆, it is 8.2 × 10−8. The total column density is (6.5 ± 3.0) × 1015 cm−2. C2H4 is found to be rotationally under local thermodynamical equilibrium (LTE) and vibrationally out of LTE. One of the scenarios that best reproduce the observations suggests that up to 25% of the C2H4 molecules at 20R⋆ could condense onto dust grains. This possible depletion would not influence significantly the gas acceleration although it could play a role in the surface chemistry on the dust grains. PMID:28184097

  19. DFT simulation on H2 adsorption over Ni-decorated defective h-BN nanosheets

    NASA Astrophysics Data System (ADS)

    Zhou, Xuan; Chu, Wei; Zhou, Yanan; Sun, Wenjing; Xue, Ying

    2018-05-01

    Nickel doped defective h-BN nanosheets and their potential application on hydrogen storage were explored by density functional theory (DFT) calculation. Three types of defective h-BN (SW defect, VB and VN substrates) were modeled. In comparison with the SW defect, the B or N vacancy can improve the interaction between Ni atom and h-BN nanosheet strikingly. Furthermore, the Ni-doped SW defect sheet shows chemisorption on H2 molecules, and the Hsbnd H bond is partially dissociated. While on the VB sheet, Ni adatom interacts with H2 in the range of physisorption. However, the Ni-functionalized VN sheet exhibits a desirable adsorption on H2, and the corresponding energy varies from -0.40 to -0.51 eV, which is favorable for H2 adsorption and release at ambient conditions. As a result, the VN substrate is expected to a desirable support for H2 storage. Our work provides an insight into H2 storage on Ni-functionalized defective h-BN monolayer.

  20. Effects of fO2, fH2O and aoxide on formation and density of extended planar defects in olivine

    NASA Astrophysics Data System (ADS)

    Burgess, K.; Cooper, R. F.

    2011-12-01

    Melt inclusions are used in geochemistry to inform our understanding of many physiochemical processes taking place in the mantle, such as melting, melt-rock interactions and magma mixing. Fundamental to this interpretation of melt inclusions is the assumption that they act as closed systems, i.e., they are chemically isolated after trapping and preserve primitive magma compositions. However, recent work indicates that volatiles (e.g., H and F) can be rapidly reset [Portnyagin et al., 2008], and the diffusion mechanisms and rates in tracer diffusion experiments, specifically of REEs, are a matter of some debate [Spandler and O'Neill, 2010; Cherniak, 2010]. The compendium of observations and experiments suggests a role of planar extended defects in effecting and affecting diffusion kinetics in olivine. Planar extended defects are the exothermic condensation of charged point defects into two-dimensional structures, their third dimension insufficient (i.e., sub-unit cell) to describe them as a unique phase. These planar defects, in a manner similar to mechanisms of "pipe" diffusion along dislocations and of grain boundary diffusion, can lead to measured diffusivities far greater than the lattice diffusivity, and their overall effect on flux is proportional to their spatial density [cf. Hart, 1957]. High-resolution TEM and AEM investigation of experimental olivine-basalt samples show the presence of planar defects near the olivine-melt interface, with the area fraction of the high-contrast defects in the images being greatest at high fO2 and/or fH2O while temperature has an effect on the defect dimensions but not total areal density. EDS analysis of the interface regions indicate high Ti/Ca and Ti/Al ratios compared to the glass; the stability of intercalated humite-type defects in olivine, a planar defect type found in some natural olivines [e.g., Risold et al., 2001; Hermann et al., 2007], is increased to higher temperature by the incorporation of Ti. Activities of

  1. [Determination of fumonisins B1 and B2 in corn by high performance liquid chromatography with post-column derivatization method].

    PubMed

    Zhang, Xiaoxu; Xiao, Zhiyong; Zhang, Hongyan; Yang, Lili; Ma, Liyan

    2012-08-01

    A high performance liquid chromatography-fluorescence detection with post-column derivatization method was developed to detect fumonisin B1 (FB1) and fumonisin B2 (FB2) in corn. Several factors, such as the pH of derivatization buffer, concentration and flow rate of derivatization reagents, excitation wavelength, emission wavelength, which affected the detection of fumonisins were optimized. The separation was performed on a ZORBAX SB C18 column operated at 40 degrees C with the gradient elution by two mobile phases of 0.1 mol/L sodium dihydrogen phosphate solution (pH 3.3) and methanol at a flow rate of 0.8 mL/min. The derivatization was performed at ambient temperature. The o-phthalaldehyde (OPA) flow rate was 0.4 mL/min. The results showed that the optimum conditions were pH 10.5 of the derivatization reagent, OPA concentration at 2 g/L, and excitation wavelength of 335 nm, emission wavelength of 440 nm. The linear plots of FB1 and FB2 were obtained between 0.2 to 20 mg/L, with the correlation coefficients above 0.999 for both FB1 and FB2. The limits of detection of fumonisins B1 and B2 were 0.02 mg/kg. The mean recoveries at the three spiked levels of 0.1 - 4.0 mg/kg were 82.5% - 89.8%. This method is accurate, simple, rapid and suitable for the determination of fumonisins B1 and B2 in corn.

  2. Inviscid linear stability analysis of two fluid columns of different densities subject to gravity

    NASA Astrophysics Data System (ADS)

    Prathama, Aditya; Pantano, Carlos

    2017-11-01

    We investigate the inviscid linear stability of vertical interface between two fluid columns of different densities under the influence of gravity. In this flow arrangement, the two free streams are continuously accelerating, in contrast to the canonical Kelvin-Helmholtz or Rayleigh-Taylor instabilities whose base flows are stationary (or weakly time dependent). In these classical cases, the temporal evolution of the interface can be expressed as Fourier or Laplace solutions in time. This is not possible in our case; instead, we employ the initial value problem method to solve the equations analytically. The results, expressed in terms of the well-known parabolic cylinder function, indicate that the instability grows as the exponential of a quadratic function of time. The analysis shows that in this accelerating Kelvin-Helmholtz configuration, the interface is unconditionally unstable at all wave modes, despite the presence of surface tension. Department of Energy, National Nuclear Security Administration (Award No. DE-NA0002382) and the California Institute of Technology.

  3. Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4: Calculated dehydrogenation enthalpy, including zero point energy, and the structure of the phonon spectra.

    PubMed

    Marashdeh, Ali; Frankcombe, Terry J

    2008-06-21

    The dehydrogenation enthalpies of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski's direct method. The dehydrogenation of Ca(AlH(4))(2) is exothermic, indicating a metastable hydride. Calculations for CaAlH(5) including ZPE effects indicate that it is not stable enough for a hydrogen storage system operating near ambient conditions. The destabilized combination of LiBH(4) with CaH(2) is a promising system after ZPE-corrected enthalpy calculations. The calculations confirm that including ZPE effects in the harmonic approximation for the dehydrogenation of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) has a significant effect on the calculated reaction enthalpy. The contribution of ZPE to the dehydrogenation enthalpies of Ca(AlH(4))(2) and CaAlH(5) calculated by the direct method phonon analysis was compared to that calculated by the frozen-phonon method. The crystal structure of CaAlH(5) is presented in the more useful standard setting of P2(1)c symmetry and the phonon density of states of CaAlH(5), significantly different to other common complex metal hydrides, is rationalized.

  4. Direct N2H4/H2O2 Fuel Cells Powered by Nanoporous Gold Leaves

    PubMed Central

    Yan, Xiuling; Meng, Fanhui; Xie, Yun; Liu, Jianguo; Ding, Yi

    2012-01-01

    Dealloyed nanoporous gold leaves (NPGLs) are found to exhibit high electrocatalytic properties toward both hydrazine (N2H4) oxidation and hydrogen peroxide (H2O2) reduction. This observation allows the implementation of a direct hydrazine-hydrogen peroxide fuel cell (DHHPFC) based on these novel porous membrane catalysts. The effects of fuel and oxidizer flow rate, concentration and cell temperature on the performance of DHHPFC are systematically investigated. With a loading of ~0.1 mg cm−2 Au on each side, an open circuit voltage (OCV) of 1.2 V is obtained at 80°C with a maximum power density 195 mW cm−2, which is 22 times higher than that of commercial Pt/C electrocatalyst at the same noble metal loading. NPGLs thus hold great potential as effective and stable electrocatalysts for DHHPFCs. PMID:23230507

  5. Glycolipid class profiling by packed-column subcritical fluid chromatography.

    PubMed

    Deschamps, Frantz S; Lesellier, Eric; Bleton, Jean; Baillet, Arlette; Tchapla, Alain; Chaminade, Pierre

    2004-06-18

    The potential of packed-column subcritical fluid chromatography (SubFC) for the separation of lipid classes has been assessed in this study. Three polar stationary phases were checked: silica, diol, and poly(vinyl alcohol). Carbon dioxide (CO2) with methanol as modifier was used as mobile phase and detection performed by evaporative light scattering detection. The influence of methanol content, temperature, and pressure on the chromatographic behavior of sphingolipids and glycolipids were investigated. A complete separation of lipid classes from a crude wheat lipid extract was achieved using a modifier gradient from 10 to 40% methanol in carbon dioxide. Solute selectivity was improved using coupled silica and diol columns in series. Because the variation of eluotropic strength depending on the fluid density changes, a normalized separation factor product (NSP) was used to select the nature, the number and the order of the columns to reach the optimum glycolipid separation.

  6. Inelastic Collisions of N2, H2, and H2+He Mixtures in Supersonic Jets by Raman Spectroscopy

    NASA Astrophysics Data System (ADS)

    Fernández, J. M.; Fonfría, J. P.; Ramos, A.; Tejeda, G.; Montero, S.; Thibault, F.

    2008-12-01

    We present a detailed study of inelastic collisions at low temperature in several supersonic jets of N2, H2, and H2+He mixtures using different nozzles and stagnation conditions. Absolute number density and rotational population data of unprecedented accuracy are measured along the jet axis by Raman spectroscopy with high spatial resolution (<5 μm) and high-sensitivity (<1 photon/sec). The experimental data are interpreted by means of a master equation describing the time evolution of the rotational populations in terms of the state-to-state rate coefficients derived from high-level quantum calculations. This combination of experimental and calculated data leads to a detailed understanding of the underlying physics, consistent with the assumed isentropic behaviour. The breakdown of rotational-translational thermal equilibrium, and its space-time evolution along the jet axis are accounted for by the microscopic (state-to-state rate coefficients) and macroscopic (flow velocity, number density, temperatures) physical quantities. A highly consistent picture, free from any additional parameters, bridges this way the microsopic and macroscopic approaches to fluid dynamics along the jet axis.

  7. "Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li+-benzene

    NASA Astrophysics Data System (ADS)

    D'Arcy, Jordan H.; Kolmann, Stephen J.; Jordan, Meredith J. T.

    2015-08-01

    Quantum and anharmonic effects are investigated in (H2)2-Li+-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials, using rigid-body diffusion Monte Carlo (RBDMC) simulations. The potential-energy surface (PES) is calculated as a modified Shepard interpolation of M05-2X/6-311+G(2df,p) electronic structure data. The RBDMC simulations yield zero-point energies (ZPE) and probability density histograms that describe the ground-state nuclear wavefunction. Binding a second H2 molecule to the H2-Li+-benzene complex increases the ZPE of the system by 5.6 kJ mol-1 to 17.6 kJ mol-1. This ZPE is 42% of the total electronic binding energy of (H2)2-Li+-benzene and cannot be neglected. Our best estimate of the 0 K binding enthalpy of the second H2 to H2-Li+-benzene is 7.7 kJ mol-1, compared to 12.4 kJ mol-1 for the first H2 molecule. Anharmonicity is found to be even more important when a second (and subsequent) H2 molecule is adsorbed; use of harmonic ZPEs results in significant error in the 0 K binding enthalpy. Probability density histograms reveal that the two H2 molecules are found at larger distance from the Li+ ion and are more confined in the θ coordinate than in H2-Li+-benzene. They also show that both H2 molecules are delocalized in the azimuthal coordinate, ϕ. That is, adding a second H2 molecule is insufficient to localize the wavefunction in ϕ. Two fragment-based (H2)2-Li+-benzene PESs are developed. These use a modified Shepard interpolation for the Li+-benzene and H2-Li+-benzene fragments, and either modified Shepard interpolation or a cubic spline to model the H2-H2 interaction. Because of the neglect of three-body H2, H2, Li+ terms, both fragment PESs lead to overbinding of the second H2 molecule by 1.5 kJ mol-1. Probability density histograms, however, indicate that the wavefunctions for the two H2 molecules are effectively identical on the "full" and fragment PESs. This suggests that the 1.5 kJ mol-1 error is

  8. "Plug-and-Play" potentials: Investigating quantum effects in (H2)2-Li(+)-benzene.

    PubMed

    D'Arcy, Jordan H; Kolmann, Stephen J; Jordan, Meredith J T

    2015-08-21

    Quantum and anharmonic effects are investigated in (H2)2-Li(+)-benzene, a model for hydrogen adsorption in metal-organic frameworks and carbon-based materials, using rigid-body diffusion Monte Carlo (RBDMC) simulations. The potential-energy surface (PES) is calculated as a modified Shepard interpolation of M05-2X/6-311+G(2df,p) electronic structure data. The RBDMC simulations yield zero-point energies (ZPE) and probability density histograms that describe the ground-state nuclear wavefunction. Binding a second H2 molecule to the H2-Li(+)-benzene complex increases the ZPE of the system by 5.6 kJ mol(-1) to 17.6 kJ mol(-1). This ZPE is 42% of the total electronic binding energy of (H2)2-Li(+)-benzene and cannot be neglected. Our best estimate of the 0 K binding enthalpy of the second H2 to H2-Li(+)-benzene is 7.7 kJ mol(-1), compared to 12.4 kJ mol(-1) for the first H2 molecule. Anharmonicity is found to be even more important when a second (and subsequent) H2 molecule is adsorbed; use of harmonic ZPEs results in significant error in the 0 K binding enthalpy. Probability density histograms reveal that the two H2 molecules are found at larger distance from the Li(+) ion and are more confined in the θ coordinate than in H2-Li(+)-benzene. They also show that both H2 molecules are delocalized in the azimuthal coordinate, ϕ. That is, adding a second H2 molecule is insufficient to localize the wavefunction in ϕ. Two fragment-based (H2)2-Li(+)-benzene PESs are developed. These use a modified Shepard interpolation for the Li(+)-benzene and H2-Li(+)-benzene fragments, and either modified Shepard interpolation or a cubic spline to model the H2-H2 interaction. Because of the neglect of three-body H2, H2, Li(+) terms, both fragment PESs lead to overbinding of the second H2 molecule by 1.5 kJ mol(-1). Probability density histograms, however, indicate that the wavefunctions for the two H2 molecules are effectively identical on the "full" and fragment PESs. This suggests that

  9. VizieR Online Data Catalog: EBHIS spectra and HI column density maps (Winkel+, 2016)

    NASA Astrophysics Data System (ADS)

    Winkel, B.; Kerp, J.; Floeer, L.; Kalberla, P. M. W.; Ben Bekhti, N.; Keller, R.; Lenz, D.

    2015-11-01

    The EBHIS 1st data release comprises 21-cm neutral atomic hydrogen data of the Milky Way (-600km/s2) FITS binary tables containing lists of spectra sampled on a HealPIX grid (nside=1024, Galactic coordinates, Ring indexing scheme, Gorski et al., 2005ApJ...622..759G). To make handling of the data easier, the table is split into smaller files. Each of these contains spectra belonging to one of the 192 base/parent pixels of the nside=4 pixelization. For convenience, the binary tables also contain EQ2000 and Galactic coordinate positions for each individual spectrum, as well as the associated HealPIX index. Furthermore, we provide the full northern-sky HI column density distribution, both, in a (1) HealPIX-grid binary table (nside=1024, Galactic coordinates, Ring indexing scheme) (2) Standard FITS 2D image in ZEA-projection (zenith equal area). (6 data files).

  10. Global observations of tropospheric BrO columns using GOME-2 satellite data

    NASA Astrophysics Data System (ADS)

    Theys, N.; van Roozendael, M.; Hendrick, F.; Yang, X.; de Smedt, I.; Richter, A.; Begoin, M.; Errera, Q.; Johnston, P. V.; Kreher, K.; de Mazière, M.

    2010-11-01

    Measurements from the GOME-2 satellite instrument have been analyzed for tropospheric BrO using a residual technique that combines measured BrO columns and estimates of the stratospheric BrO content from a climatological approach driven by O3 and NO2 observations. Comparisons between the GOME-2 results and BrO vertical columns derived from correlative ground-based and SCIAMACHY nadir observations, present a good level of consistency. We show that the adopted technique enables separation of stratospheric and tropospheric fractions of the measured total BrO columns and allows quantitative study of the BrO plumes in polar regions. While some satellite observed plumes of enhanced BrO can be explained by stratospheric descending air, we show that most BrO hotspots are of tropospheric origin, although they are often associated to regions with low tropopause heights as well. Elaborating on simulations using the p-TOMCAT tropospheric chemical transport model, this result is found to be consistent with the mechanism of bromine release through sea salt aerosols production during blowing snow events. Outside polar regions, evidence is provided for a global tropospheric BrO background with column of 1-3×1013 molec/cm2, consistent with previous estimates.

  11. Enhanced reductive dechlorination in columns treated with edible oil emulsion

    NASA Astrophysics Data System (ADS)

    Long, Cameron M.; Borden, Robert C.

    2006-09-01

    The effect of edible oil emulsion treatment on enhanced reductive dechlorination was evaluated in a 14 month laboratory column study. Experimental treatments included: (1) emulsified soybean oil and dilute HCl to inhibit biological activity; (2) emulsified oil only; (3) emulsified oil and anaerobic digester sludge; and (4) continuously feeding soluble substrate. A single application of emulsified oil was effective in generating strongly reducing, anaerobic conditions for over 14 months. PCE was rapidly reduced to cis-DCE in all three live columns. Bioaugmentation with a halorespiring enrichment culture resulted in complete dechlorination of PCE to ethene in the soluble substrate column (yeast extract and lactate). However, an additional treatment with a pulse of yeast extract and bioaugmentation culture was required to stimulate complete dechlorination in the emulsion treated columns. Once the dechlorinating population was established, the emulsion only column degraded PCE from 90-120 μM to below detection with concurrent ethene production in a 33 day contact time. The lower biodegradation rates in the emulsion treated columns compared to the soluble substrate column suggest that emulsified oil barriers may require a somewhat longer contact time for effective treatment. In the HCl inhibited column, partitioning of PCE to the retained oil substantially delayed PCE breakthrough. However, reduction of PCE to more soluble degradation products ( cis-DCE, VC and ethene) greatly reduced the impact of oil-water partitioning in live columns. There was only a small decline in the hydraulic conductivity ( K) of column #1 (low pH + emulsion, Kfinal/ Kinitial = 0.57) and column #2 (live + emulsion, Kfinal/ Kinitial = 0.73) indicating emulsion injection did not result in appreciable clogging of the clayey sand. However, K loss was greater in column #3 (sludge +emulsion, Kfinal/ Kinitial = 0.12) and column #4 (soluble substrate, Kfinal/ Kinitial = 0.03) indicating clogging due

  12. Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4: Calculated dehydrogenation enthalpy, including zero point energy, and the structure of the phonon spectra

    NASA Astrophysics Data System (ADS)

    Marashdeh, Ali; Frankcombe, Terry J.

    2008-06-01

    The dehydrogenation enthalpies of Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4 have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski's direct method. The dehydrogenation of Ca(AlH4)2 is exothermic, indicating a metastable hydride. Calculations for CaAlH5 including ZPE effects indicate that it is not stable enough for a hydrogen storage system operating near ambient conditions. The destabilized combination of LiBH4 with CaH2 is a promising system after ZPE-corrected enthalpy calculations. The calculations confirm that including ZPE effects in the harmonic approximation for the dehydrogenation of Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4 has a significant effect on the calculated reaction enthalpy. The contribution of ZPE to the dehydrogenation enthalpies of Ca(AlH4)2 and CaAlH5 calculated by the direct method phonon analysis was compared to that calculated by the frozen-phonon method. The crystal structure of CaAlH5 is presented in the more useful standard setting of P21/c symmetry and the phonon density of states of CaAlH5, significantly different to other common complex metal hydrides, is rationalized.

  13. Column CO2 Measurement From an Airborne Solid-State Double-Pulsed 2-Micron Integrated Path Differential Absorption Lidar

    NASA Technical Reports Server (NTRS)

    Singh, U. N.; Yu, J.; Petros, M.; Refaat, T. F.; Remus, R.; Fay, J.; Reithmaier, K.

    2014-01-01

    NASA LaRC is developing and integrating a double-Pulsed 2-micron direct detection IPDA lidar for CO2 column measurement from an airborne platform. The presentation will describe the development of the 2-micrometers IPDA lidar system and present the airborne measurement of column CO2 and will compare to in-situ measurement for various ground target of different reflectivity.

  14. Composition of interstellar clouds in the disk and halo. 2: Gamma(sup 2) Velorum

    NASA Technical Reports Server (NTRS)

    Fitzpatrick, Edward L.; Spitzer, Lyman, Jr.

    1994-01-01

    High-resolution observations of gamma(sup 2) Vel with the Goddard High-Resolution Spectrograph (GHRS) echelle on the Hubble Space Telescope reveal the presence of seven narrow absorption components, with LSR velocities between -23 and +9 km s(exp -1). Three of these show column density ratios N(S(++))/N(S(+)) and N(P(++))/N(P+)) of about 1 or more, and can be identified as H II regions, while the other four are H I regions, consistent with the O I profile and with the overall H(sup 0) column density of 5.9 x 10(exp 19) cm(exp -2), given the usual assumptions that S is undepleted while O has a depletion D(O) = -0.3 dex. The depletions of Fe, Si, and Mn, which could be measure accurately for two of the four H I regions (components 6 and 7), differ somewhat from the values of D(sub ws) found for slowly moving warm clouds in HD 93521; in particular, for the component at 4.0 km s(exp -1) (No. 6), abosolute of D exceeds absolute of D(sub ws) by 0.1-0.4 dex, while for that at 9.3 km s(exp -1) (No. 7), absolute of D equals absolute of D(sub ws) on the average. The observed ratio of Fe + Mg atoms to Si atoms in the grains of component 6 is 2.04 +/-0.10, consistent with an olivine grain composition; the Fe/Mg ratio is 1.5 +/- 0.2. The electron density in component 6, determined from the C II(sup *) feature, is 0.075 +/- 0.013 cm (exp -3), about two-thirds of that found for clouds of this velocity in HD 93521. In the two conspicuous H II regions, components 3 and 4, n(sub e), determined from the Si II(sup *) feature, is about 1 cm(exp -3). From the column density of S(+) + S(++) in these two components, the total H II path length is about 40 pc. With the radius of a wind-blown bubble around gamma(sup 2) Vel set equal to 60 pc, the effective Stromgren radius is about 100 pc, requiring that T approx. equal to 50,000 K for the Wolf-Rayet component of the gamma(sup 2) Vel binary. Since zeta Pup is a comparable source of ionizing radiation, this temperature is an upper limit. The

  15. Batch soil adsorption and column transport studies of 2,4-dinitroanisole (DNAN) in soils

    NASA Astrophysics Data System (ADS)

    Arthur, Jennifer D.; Mark, Noah W.; Taylor, Susan; Šimunek, J.; Brusseau, M. L.; Dontsova, Katerina M.

    2017-04-01

    The explosive 2,4,6-trinitrotoluene (TNT) is currently a main ingredient in munitions; however the compound has failed to meet the new sensitivity requirements. The replacement compound being tested is 2,4-dinitroanisole (DNAN). DNAN is less sensitive to shock, high temperatures, and has good detonation characteristics. However, DNAN is more soluble than TNT, which can influence transport and fate behavior and thus bioavailability and human exposure potential. The objective of this study was to investigate the environmental fate and transport of DNAN in soil, with specific focus on sorption processes. Batch and column experiments were conducted using soils collected from military installations located across the United States. The soils were characterized for pH, electrical conductivity, specific surface area, cation exchange capacity, and organic carbon content. In the batch rate studies, change in DNAN concentration with time was evaluated using the first order equation, while adsorption isotherms were fitted using linear and Freundlich equations. Solution mass-loss rate coefficients ranged between 0.0002 h- 1 and 0.0068 h- 1. DNAN was strongly adsorbed by soils with linear adsorption coefficients ranging between 0.6 and 6.3 L g- 1, and Freundlich coefficients between 1.3 and 34 mg1 - n Ln kg- 1. Both linear and Freundlich adsorption coefficients were positively correlated with the amount of organic carbon and cation exchange capacity of the soil, indicating that similar to TNT, organic matter and clay minerals may influence adsorption of DNAN. The results of the miscible-displacement column experiments confirmed the impact of sorption on retardation of DNAN during transport. It was also shown that under flow conditions DNAN transforms readily with formation of amino transformation products, 2-ANAN and 4-ANAN. The magnitudes of retardation and transformation observed in this study result in significant attenuation potential for DNAN, which would be anticipated to

  16. Batch soil adsorption and column transport studies of 2,4-dinitroanisole (DNAN) in soils.

    PubMed

    Arthur, Jennifer D; Mark, Noah W; Taylor, Susan; Šimunek, J; Brusseau, M L; Dontsova, Katerina M

    2017-04-01

    The explosive 2,4,6-trinitrotoluene (TNT) is currently a main ingredient in munitions; however the compound has failed to meet the new sensitivity requirements. The replacement compound being tested is 2,4-dinitroanisole (DNAN). DNAN is less sensitive to shock, high temperatures, and has good detonation characteristics. However, DNAN is more soluble than TNT, which can influence transport and fate behavior and thus bioavailability and human exposure potential. The objective of this study was to investigate the environmental fate and transport of DNAN in soil, with specific focus on sorption processes. Batch and column experiments were conducted using soils collected from military installations located across the United States. The soils were characterized for pH, electrical conductivity, specific surface area, cation exchange capacity, and organic carbon content. In the batch rate studies, change in DNAN concentration with time was evaluated using the first order equation, while adsorption isotherms were fitted using linear and Freundlich equations. Solution mass-loss rate coefficients ranged between 0.0002h -1 and 0.0068h -1 . DNAN was strongly adsorbed by soils with linear adsorption coefficients ranging between 0.6 and 6.3Lg -1 , and Freundlich coefficients between 1.3 and 34mg 1 - n L n kg -1 . Both linear and Freundlich adsorption coefficients were positively correlated with the amount of organic carbon and cation exchange capacity of the soil, indicating that similar to TNT, organic matter and clay minerals may influence adsorption of DNAN. The results of the miscible-displacement column experiments confirmed the impact of sorption on retardation of DNAN during transport. It was also shown that under flow conditions DNAN transforms readily with formation of amino transformation products, 2-ANAN and 4-ANAN. The magnitudes of retardation and transformation observed in this study result in significant attenuation potential for DNAN, which would be anticipated to

  17. The non-modulated transfer of total effluent for serially coupled columns in gas chromatography.

    PubMed

    Krupcík, Ján; Mydlová-Memersheimerová, Janka; Májek, Pavel; Zapadlo, Michal; Sandra, Pat

    2010-03-12

    The non-modulated transfer (NMT) of the total effluent of the separation of polychlorinated biphenyls (PCBs) on two columns coupled in series has been studied. A non-polar poly(5%-phenyl-95%-methyl)siloxane column (40 m x 100 microm x 0.1 microm) and a polar 70%-cyanopropyl-polysilphenylene-siloxane column (4 m x 0.1 mm x 0.1 microm) were used as (1)D and (2)D columns, respectively. The effluents from both the (1)D column and the (1)D+(2)D column series were monitored independently by two FIDs. Data from the (1)D and (1)D+(2)D integration reports were used to evaluate the NMT experiment. (1)D retention times, t(R,i,D1), were directly accessible from (1)D integration report while (2)D retention times, t(R,i,B), were calculated for all corresponding peak pairs from (1)D and (1)D+(2)D integration reports as a difference t(R,i,D2)=t(R,i,D1+D2)-t(R,i,D1). Search for corresponding peaks of PCB congeners in the (1)D and (1)D+(2)D chromatograms is elucidated in detail on standard PCB samples and on PCB congeners present in the technical formulation Arochlor 1242. Both retention times (t(R,i,D1) and t(R,i,D2)) as well as peak widths at half height (w(h,i)) and peak heights (h(i)) obtained from integration reports were used to construct 2D and 3D images for PCB NMT separations on serially coupled columns. The performance of the NMT procedure is illustrated by the separation of (i) standard PCB solutions, (ii) a mixture of the 209 PCBs, and (iii) a mixture of Arochlor 1242 and hydrocarbons on the DB-5+BPX-70 column series. Copyright (c) 2010 Elsevier B.V. All rights reserved.

  18. Improved specific energy Ni-H2 cell

    NASA Astrophysics Data System (ADS)

    Miller, L.

    1985-07-01

    Design optimization activities which have evolved and validated the necessary technology to produce Ni-H2 battery cells exhibiting a specific energy of 75-80 Whr/Kg (energy density approximately 73 Whr/L are summarized. Final design validation is currently underway with the production of battery cells for qualification and life testing. The INTELSAT type Ni-H2 battery cell design has been chosen for expository purposes. However, it should be recognized portions of the improved technology could be applied to the Air Force type Ni-H2 battery cell design with equal benefit.

  19. Improved Specific Energy Ni-h2 Cell

    NASA Technical Reports Server (NTRS)

    Miller, L.

    1985-01-01

    Design optimization activities which have evolved and validated the necessary technology to produce Ni-H2 battery cells exhibiting a specific energy of 75-80 Whr/Kg (energy density approximately 73 Whr/L are summarized. Final design validation is currently underway with the production of battery cells for qualification and life testing. The INTELSAT type Ni-H2 battery cell design has been chosen for expository purposes. However, it should be recognized portions of the improved technology could be applied to the Air Force type Ni-H2 battery cell design with equal benefit.

  20. On the role of the termolecular reactions 2O2 + H22HO2 and 2O2 + H2H + HO2 + O2 in formation of the first radicals in hydrogen combustion: ab initio predictions of energy barriers.

    PubMed

    Monge-Palacios, M; Rafatijo, Homayoon

    2017-01-18

    We have investigated the role of termolecular reactions in the early chemistry of hydrogen combustion. We performed molecular chemical dynamics simulations using ReaxFF in LAMMPS to identify potential initial reactions for a 1 : 4 mixture of H 2  : O 2 in the NVT ensemble at density 276.3 kg m -3 and ∼3000 K (∼4000 atm) and ∼4000 K (∼5000 atm), and then characterized the saddle points for those reactions using ab initio methods: CCSD(T) = FC/cc-pVTZ//MP2/6-31G, CCSD(T) = FULL/aug-cc-pVTZ//CCSD = FC/cc-pVTZ and CASSCF MP2/6-31G//MP2/6-31G. The main initial reaction is H 2 + O 2H + HO 2 , frequently occurring in the presence of a second O 2 as a third body; that is, 2O 2 + H 2H + HO 2 + O 2 . The second most frequent reaction is 2O 2 + H 22HO 2 . We found three saddle points on the triplet PES of these termolecular reactions: one for 2O 2 + H 2H + HO 2 + O 2 and two for 2O 2 + H 22HO 2 . In the latter case, one has a symmetric structure consistent with simultaneous formation of two HO 2 and the other corresponds to a bimolecular reaction between O 2 and H 2 that is "interrupted" by a second O 2 before going to completion. The classical barrier height of the symmetric saddle point for 2O 2 + H 22HO 2 is 49.8 kcal mol -1 . The barrier to H 2 + O 2H + HO 2 is 58.9 kcal mol -1 . The termolecular reaction will be competitive with H 2 + O 2H + HO 2 only at sufficiently high pressures.

  1. Herschel Observations of EXtra-Ordinary Sources: H2S as a Probe of Dense Gas and Possibly Hidden Luminosity Toward the Orion KL Hot Core

    NASA Astrophysics Data System (ADS)

    Crockett, N. R.; Bergin, E. A.; Neill, J. L.; Black, J. H.; Blake, G. A.; Kleshcheva, M.

    2014-02-01

    We present Herschel/HIFI observations of the light hydride H2S obtained from the full spectral scan of the Orion Kleinmann-Low nebula (Orion KL) taken as part of the Herschel Observations of EXtra-Ordinary Sources GT (guaranteed time) key program. In total, we observe 52, 24, and 8 unblended or slightly blended features from H2 32S, H2 34S, and H2 33S, respectively. We only analyze emission from the so-called hot core, but emission from the plateau, extended ridge, and/or compact ridge are also detected. Rotation diagrams for ortho and para H2S follow straight lines given the uncertainties and yield T rot = 141 ± 12 K. This indicates H2S is in local thermodynamic equilibrium and is well characterized by a single kinetic temperature or an intense far-IR radiation field is redistributing the population to produce the observed trend. We argue the latter scenario is more probable and find that the most highly excited states (E up >~ 1000 K) are likely populated primarily by radiation pumping. We derive a column density, N tot(H2 32S) = 9.5 ± 1.9 × 1017 cm-2, gas kinetic temperature, T kin = 120+/- ^{13}_{10} K, and constrain the H2 volume density, n_H_2 >~ 9 × 10 7 cm-3, for the H2S emitting gas. These results point to an H2S origin in markedly dense, heavily embedded gas, possibly in close proximity to a hidden self-luminous source (or sources), which are conceivably responsible for Orion KL's high luminosity. We also derive an H2S ortho/para ratio of 1.7 ± 0.8 and set an upper limit for HDS/H2S of <4.9 × 10 -3. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

  2. Ion mobility based on column leaching of South African gold tailings dam with chemometric evaluation.

    PubMed

    Cukrowska, Ewa M; Govender, Koovila; Viljoen, Morris

    2004-07-01

    New column leaching experiments were designed and used as an alternative rapid screening approach to element mobility assessment. In these experiments, field-moist material was treated with an extracting solution to assess the effects of acidification on element mobility in mine tailings. The main advantage of this version of column leaching experiments with partitioned segments is that they give quick information on current element mobility in conditions closely simulating field conditions to compare with common unrepresentative air-dried, sieved samples used for column leaching experiments. Layers from the tailings dump material were sampled and packed into columns. The design of columns allows extracting leachates from each layer. The extracting solutions used were natural (pH 6.8) and acidified (pH 4.2) rainwater. Metals and anions were determined in the leachates. The concentrations of metals (Ca, Mg, Fe, Mn, Al, Cr, Ni, Co, Zn, and Cu) in sample leachates were determined using ICP OES. The most important anions (NO3-, Cl-, and SO4(2)-) were determined using the closed system izotacophoresis ITP analyser. The chemical analytical data from tailings leaching and physico-chemical data from field measurements (including pH, conductivity, redox potential, temperature) were used for chemometric evaluation of element mobility. Principal factor analysis (PFA) was used to evaluate ions mobility from different layers of tailings dump arising from varied pH and redox conditions. It was found that the results from the partitioned column leaching illustrate much better complex processes of metals mobility from tailings dump than the total column. The chemometric data analysis (PFA) proofed the differences in the various layers leachability that are arising from physico-chemical processes due to chemical composition of tailings dump deposit. Copyright 2004 Elsevier Ltd.

  3. Raman scattering by H2 and N2 in the atmospheres of exoplanets

    NASA Astrophysics Data System (ADS)

    Oklopcic, Antonija; Hirata, Christopher M.; Heng, Kevin

    2016-06-01

    Rayleigh scattering is an important source of opacity in the atmospheres of exoplanets at short optical and near-UV wavelengths. Raman scattering is an inelastic process related to Rayleigh scattering, but with a weaker cross section. We analyze the signatures of Raman scattering imprinted in the reflected light and the geometric albedo of exoplanets. Raman scattering causes filling-in of absorption lines in the incident spectrum, thus producing sharp enhancements in the geometric albedo. It also shifts the wavelengths of spectral features in the reflected light causing the Raman ghost lines. Observing the albedo enhancements could be used to measure the column density of the scattering molecule and provide constrains on the presence of clouds and hazes in the atmosphere. Observing the Raman ghost lines could be used to spectroscopically identify the main scatterer in the atmosphere -- molecules like H2 or N2 which do not show prominent spectral signatures in the optical wavelength range. If detected, ghost lines could also provide information about the temperature of the atmosphere. Here we present how these signatures of Raman scattering in hydrogen- and nitrogen-dominated atmospheres can be used as probes of atmospheric pressure, temperature and composition. We analyze the feasibility of detecting these features in the albedo spectra of nearby exoplanets with the existing and future observational facilities.

  4. Comparison of Surface and Column Variations of CO2 Over Urban Areas for Future Active Remote CO2 Sensors

    NASA Technical Reports Server (NTRS)

    Choi, Yonghoon; Yang, Melissa; Kooi, Susan; Browell, Edward

    2015-01-01

    High resolution in-situ CO2 measurements were recorded onboard the NASA P-3B during the DISCOVER-AQ (Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality) Field Campaign, to investigate the ability of space-based observations to accurately assess near surface conditions related to air quality. This campaign includes, Washington DC/Baltimore, MD (July 2011), San Joaquin Valley, CA (January - February 2013), Houston, TX (September 2013), and Denver, CO (July-August 2014). Each of these campaigns consisted of missed approaches and approximately two hundred vertical soundings of CO2 within the lower troposphere (surface to about 5 km). In this study, surface (0 - 1 km) and column-averaged (0 - 3.5 km) CO2 mixing ratio values from the vertical soundings in the four geographically different urban areas are used to investigate the temporal and spatial variability of CO2 within the different urban atmospheric emission environments. Tracers such as CO, CH2O, NOx, and NMHCs are used to identify the source of CO2 variations in the urban sites. Additionally, we apply nominal CO2 column weighting functions for potential future active remote CO2 sensors operating in the 1.57-microns and 2.05-microns measurement regions to convert the in situ CO2 vertical mixing ratio profiles to variations in CO2 column optical depths, which is what the active remote sensors actually measure. Using statistics calculated from the optical depths at each urban site measured during the DISCOVER-AQ field campaign and for each nominal weighting function, we investigate the natural variability of CO2 columns in the lower troposphere; relate the CO2 column variability to the urban surface emissions; and show the measurement requirements for the future ASCENDS (Active Sensing of CO2 Emissions over Nights, Days, and Seasons) in the continental U.S. urban areas.

  5. Removal of dichloromethane from waste gas streams using a hybrid bubble column/biofilter bioreactor

    PubMed Central

    2014-01-01

    The performance of a hybrid bubble column/biofilter (HBCB) bioreactor for the removal of dichloromethane (DCM) from waste gas streams was studied in continuous mode for several months. The HBCB bioreactor consisted of two compartments: bubble column bioreactor removing DCM from liquid phase and biofilter removing DCM from gas phase. Effect of inlet DCM concentration on the elimination capacity was examined in the DCM concentration range of 34–359 ppm with loading rates ranged from 2.2 to 22.8 g/m3.h and constant total empty bed retention time (EBRT) of 200 s. In the equal loading rates, the elimination capacity and removal efficiency of the biofilter were higher than the corresponding values of the bubble column bioreactor. The maximum elimination capacity of the HBCB bioreactor was determined to be 15.7 g/m3.h occurred in the highest loading rate of 22.8 g/m3.h with removal efficiency of 69%. The overall mineralization portion of the HBCB bioreactor was in the range of 72-79%. The mixed liquor acidic pH especially below 5.5 inhibited microbial activity and decreased the elimination capacity. Inhibitory effect of high ionic strength was initiated in the mixed liquor electrical conductivity of 12.2 mS/cm. This study indicated that the HBCB bioreactor could benefit from advantages of both bubble column and biofilter reactors and could remove DCM from waste gas streams in a better manner. PMID:24406056

  6. Flowing afterglow studies of the electron recombination of protonated cyanides (RCN)H+ and their proton-bound dimer ions (RCN)2H+ where R is H, CH3, and CH3CH2

    NASA Astrophysics Data System (ADS)

    McLain, J. L.; Molek, C. D.; , D. Osborne, Jr.; Adams, N. G.

    2009-05-01

    A study has been made of the electron-ion dissociative recombination of the protonated cyanides (RCNH+, R = H, CH3, C2H5) and their proton-bound dimers (RCN)2H+ at 300 K. This has been accomplished with the flowing afterglow technique using an electrostatic Langmuir probe to determine the electron density decay along the flow tube. For the protonated species, the recombination coefficients, [alpha]e(cm3 s-1), are (3.6 +/- 0.5) × 10-7, (3.4 +/- 0.5) × 10-7, (4.6 +/- 0.7) × 10-7 for R = H, CH3, C2H5, respectively. For the proton-bound dimers, the [alpha]e are substantially greater being (2.4 +/- 0.4) × 10-6, (2.8 +/- 0.4) × 10-6, (2.3 +/- 0.3) × 10-6 for R = H, CH3, C2H5, respectively. Fitting of the electron density decay data to a simple model has shown that the rate coefficients for the three-body association of RCNH+ with RCN are very large being (2.0 +/- 0.5) × 10-26 cm6 s-1. The significance of these data to the Titan ionosphere is discussed.

  7. Colloquium: Search for a drifting proton-electron mass ratio from H2

    NASA Astrophysics Data System (ADS)

    Ubachs, W.; Bagdonaite, J.; Salumbides, E. J.; Murphy, M. T.; Kaper, L.

    2016-04-01

    An overview is presented of the H2 quasar absorption method to search for a possible variation of the proton-electron mass ratio μ =mp/me on a cosmological time scale. The method is based on a comparison between wavelengths of absorption lines in the H2 Lyman and Werner bands as observed at high redshift with wavelengths of the same lines measured at zero redshift in the laboratory. For such comparison sensitivity coefficients to a relative variation of μ are calculated for all individual lines and included in the fitting routine deriving a value for Δ μ /μ . Details of the analysis of astronomical spectra, obtained with large 8-10 m class optical telescopes, equipped with high-resolution echelle grating based spectrographs, are explained. The methods and results of the laboratory molecular spectroscopy of H2, in particular, the laser-based metrology studies for the determination of rest wavelengths of the Lyman and Werner band absorption lines, are reviewed. Theoretical physics scenarios delivering a rationale for a varying μ are discussed briefly, as well as alternative spectroscopic approaches to probe variation of μ , other than the H2 method. Also a recent approach to detect a dependence of the proton-to-electron mass ratio on environmental conditions, such as the presence of strong gravitational fields, are highlighted. Currently some 56 H2 absorption systems are known and listed. Their usefulness to detect μ variation is discussed, in terms of column densities and brightness of background quasar sources, along with future observational strategies. The astronomical observations of ten quasar systems analyzed so far set a constraint on a varying proton-electron mass ratio of |Δ μ /μ |<5 ×1 0-6 (3 σ ), which is a null result, holding for redshifts in the range z =2.0 - 4.2 . This corresponds to look-back times of (10 - 12.4 )×109 years into cosmic history. Attempts to interpret the results from these ten H2 absorbers in terms of a spatial

  8. Numerical study of the inductive plasma coupling to ramp up the plasma density for the Linac4 H- ion source

    NASA Astrophysics Data System (ADS)

    Ohta, M.; Mattei, S.; Yasumoto, M.; Hatayama, A.; Lettry, J.

    2014-02-01

    In the Linac4 H- ion source, the plasma is generated by an RF antenna operated at 2 MHz. In order to investigate the conditions necessary for ramping up the plasma density of the Linac4 H- ion source in the low plasma density, a numerical study has been performed for a wide range of parameter space of RF coil current and initial pressure from H2 gas injection. We have employed an Electromagnetic Particle in Cell model, in which the collision processes have been calculated by a Monte Carlo method. The results have shown that the range of initial gas pressure from 2 to 3 Pa is suitable for ramping up plasma density via inductive coupling.

  9. THE ARIZONA RADIO OBSERVATORY CO MAPPING SURVEY OF GALACTIC MOLECULAR CLOUDS. V. THE SH2-235 CLOUD IN CO J  = 2 − 1, {sup 13}CO J  = 2 − 1, AND CO J  = 3 − 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bieging, John H.; Peters, William L.; Patel, Saahil

    We present the results of a program to map the Sh2-235 molecular cloud complex in the CO and {sup 13}CO  J  = 2 − 1 transitions using the Heinrich Hertz Submillimeter Telescope. The map resolution is 38″ (FWHM), with an rms noise of 0.12 K brightness temperature, for a velocity resolution of 0.34 km s{sup −1}. With the same telescope, we also mapped the CO J  = 3 − 2 line at a frequency of 345 GHz, using a 64 beam focal plane array of heterodyne mixers, achieving a typical rms noise of 0.5 K brightness temperature with a velocity resolution of 0.23 km s{sup −1}.more » The three spectral line data cubes are available for download. Much of the cloud appears to be slightly sub-thermally excited in the J  = 3 level, except for in the vicinity of the warmest and highest column density areas, which are currently forming stars. Using the CO and {sup 13}CO  J  = 2 − 1 lines, we employ an LTE model to derive the gas column density over the entire mapped region. Examining a 125 pc{sup 2} region centered on the most active star formation in the vicinity of Sh2-235, we find that the young stellar object surface density scales as approximately the 1.6-power of the gas column density. The area distribution function of the gas is a steeply declining exponential function of gas column density. Comparison of the morphology of ionized and molecular gas suggests that the cloud is being substantially disrupted by expansion of the H ii regions, which may be triggering current star formation.« less

  10. Gas chromatographic column for the storage of sample profiles

    NASA Technical Reports Server (NTRS)

    Dimandja, J. M.; Valentin, J. R.; Phillips, J. B.

    1994-01-01

    The concept of a sample retention column that preserves the true time profile of an analyte of interest is studied. This storage system allows for the detection to be done at convenient times, as opposed to the nearly continuous monitoring that is required by other systems to preserve a sample time profile. The sample storage column is essentially a gas chromatography column, although its use is not the separation of sample components. The functions of the storage column are the selective isolation of the component of interest from the rest of the components present in the sample and the storage of this component as a function of time. Using octane as a test substance, the sample storage system was optimized with respect to such parameters as storage and readout temperature, flow rate through the storage column, column efficiency and storage time. A 3-h sample profile was collected and stored at 30 degrees C for 20 h. The profile was then retrieved, essentially intact, in 5 min at 130 degrees C.

  11. Global observations of tropospheric BrO columns using GOME-2 satellite data

    NASA Astrophysics Data System (ADS)

    Theys, N.; van Roozendael, M.; Hendrick, F.; Yang, X.; de Smedt, I.; Richter, A.; Begoin, M.; Errera, Q.; Johnston, P. V.; Kreher, K.; de Mazière, M.

    2011-02-01

    Measurements from the GOME-2 satellite instrument have been analyzed for tropospheric BrO using a residual technique that combines measured BrO columns and estimates of the stratospheric BrO content from a climatological approach driven by O3 and NO2 observations. Comparisons between the GOME-2 results and BrO vertical columns derived from correlative ground-based and SCIAMACHY nadir observations, present a good level of consistency. We show that the adopted technique enables separation of stratospheric and tropospheric fractions of the measured total BrO columns and allows quantitative study of the BrO plumes in polar regions. While some satellite observed plumes of enhanced BrO can be explained by stratospheric descending air, we show that most BrO hotspots are of tropospheric origin, although they are often associated to regions with low tropopause heights as well. Elaborating on simulations using the p-TOMCAT tropospheric chemical transport model, this result is found to be consistent with the mechanism of bromine release through sea salt aerosols production during blowing snow events. No definitive conclusion can be drawn however on the importance of blowing snow sources in comparison to other bromine release mechanisms. Outside polar regions, evidence is provided for a global tropospheric BrO background with column of 1-3 × 1013 molec cm-2, consistent with previous estimates.

  12. Column temperature programming in enantioseparation of dihydropyrimidinone compounds using derivatized cellulose and amylose chiral stationary phases.

    PubMed

    Wang, Fang; Yeung, David; Han, Jun; Semin, David; McElvain, James S; Cheetham, Janet

    2008-03-01

    We report the application of column temperature programs as a tool to examine unusual temperature-induced behaviors of polysaccharide chiral stationary phases (CSPs). Using dihydropyrimidinone (DHP) compounds as probes we observed the heating (10-50 degrees C) and cooling (50-10 degrees C) van't Hoff plots of retention factors and/or selectivities of DHP compounds were not superimposable on AD, IA, and AS-H columns solvated with ethanol (EtOH)/n-hexane (n-Hex) mobile phases. The plots were not superimposable on AD, IB, and AS-H columns solvated with 2-propanol (2-PrOH)/n-Hex mobile phases. The thermally induced path-dependant behaviors were caused by slow equilibration as evidenced by the disappearance of the hysteresis in the second heating to cooling cycle and in a cooling to heating cycle. From the step-temperature program (10-50-10 degrees C), only EtOH solvated AD and AS-H phases showed the change of retention factors and/or selectivities with time while only 2-PrOH solvated AS-H phase showed similar behaviors.

  13. Defluoridation of drinking water using a new flow column-electrocoagulation reactor (FCER) - Experimental, statistical, and economic approach.

    PubMed

    Hashim, Khalid S; Shaw, Andy; Al Khaddar, Rafid; Ortoneda Pedrola, Montserrat; Phipps, David

    2017-07-15

    A new batch, flow column electrocoagulation reactor (FCER) that utilises a perforated plate flow column as a mixer has been used to remove fluoride from drinking water. A comprehensive study has been carried out to assess its performance. The efficiency of fluoride removal (R%) as a function of key operational parameters such as initial pH, detention time (t), current density (CD), inter-electrode distance (ID) and initial concentration (C 0 ) has been examined and an empirical model has been developed. A scanning electron microscopy (SEM) investigation of the influence of the EC process on morphology of the surface of the aluminium electrodes, showed the erosion caused by aluminium loss. A preliminary estimation of the reactor's operating cost is suggested, allowing for the energy from recycling of hydrogen gas hydrogen gas produced amount. The results obtained showed that 98% of fluoride was removed within 25 min of electrolysis at pH of 6, ID of 5 mm, and CD of 2 mA/cm 2 . The general relationship between fluoride removal and operating parameters could be described by a linear model with R 2 of 0.823. The contribution of the operating parameters to the suggested model followed the order: t > CD > C 0  > ID > pH. The SEM images obtained showed that, after the EC process, the surface of the anodes, became non-uniform with a large number of irregularities due to the generation of aluminium hydroxides. It is suggested that these do not materially affect the performance. A provisional estimate of the operating cost was 0.379 US $/m 3 . Additionally, it has been found that 0.6 kW/m 3 is potentially recoverable from the H 2 gas. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

  14. Electrical transport properties of thermally evaporated phthalocyanine (H 2Pc) thin films

    NASA Astrophysics Data System (ADS)

    El-Nahass, M. M.; Farid, A. M.; Attia, A. A.; Ali, H. A. M.

    2006-08-01

    Thin films of H 2Pc of various thicknesses have been deposited onto glass substrates using thermal evaporation technique at room temperature. The dark electrical resistivity measurements were carried out at different temperatures in the range 298-473 K. An estimation of mean free path ( lo) of charge carriers in H 2Pc thin films was attempted. Measurements of thermoelectric power confirm that H 2Pc thin films behave as a p-type semiconductor. The current density-voltage characteristics of Au/H 2Pc/Au at room temperature showed ohmic conduction mechanism at low voltages. At higher voltages the space-charge-limited conduction (SCLC) accompanied by an exponential trap distribution was dominant. The temperature dependence of current density allows the determination of some essential parameters such as the hole mobility ( μh), the total trap concentration ( Nt), the characteristic temperature ( Tt) and the trap density P( E).

  15. Reproducibility of up-flow column percolation tests for contaminated soils

    PubMed Central

    Naka, Angelica; Sakanakura, Hirofumi; Kurosawa, Akihiko; Inui, Toru; Takeo, Miyuki; Inoba, Seiji; Watanabe, Yasutaka; Fujikawa, Takuro; Miura, Toshihiko; Miyaguchi, Shinji; Nakajou, Kunihide; Sumikura, Mitsuhiro; Ito, Kenichi; Tamoto, Shuichi; Tatsuhara, Takeshi; Chida, Tomoyuki; Hirata, Kei; Ohori, Ken; Someya, Masayuki; Katoh, Masahiko; Umino, Madoka; Negishi, Masanori; Ito, Keijiro; Kojima, Junichi; Ogawa, Shohei

    2017-01-01

    Up-flow column percolation tests are used at laboratory scale to assess the leaching behavior of hazardous substance from contaminated soils in a specific condition as a function of time. Monitoring the quality of these test results inter or within laboratory is crucial, especially if used for Environment-related legal policy or for routine testing purposes. We tested three different sandy loam type soils (Soils I, II and III) to determine the reproducibility (variability inter laboratory) of test results and to evaluate the difference in the test results within laboratory. Up-flow column percolation tests were performed following the procedure described in the ISO/TS 21268–3. This procedure consists of percolating solution (calcium chloride 1 mM) from bottom to top at a flow rate of 12 mL/h through softly compacted soil contained in a column of 5 cm diameter and 30 ± 5 cm height. Eluate samples were collected at liquid-to-solid ratio of 0.1, 0.2, 0.5, 1, 2, 5 and 10 L/kg and analyzed for quantification of the target elements (Cu, As, Se, Cl, Ca, F, Mg, DOC and B in this research). For Soil I, 17 institutions in Japan joined this validation test. The up-flow column experiments were conducted in duplicate, after 48 h of equilibration time and at a flow rate of 12 mL/h. Column percolation test results from Soils II and III were used to evaluate the difference in test results from the experiments conducted in duplicate in a single laboratory, after 16 h of equilibration time and at a flow rate of 36 mL/h. Overall results showed good reproducibility (expressed in terms of the coefficient of variation, CV, calculated by dividing the standard deviation by the mean), as the CV was lower than 30% in more than 90% of the test results associated with Soil I. Moreover, low variability (expressed in terms of difference between the two test results divided by the mean) was observed in the test results related to Soils II and III, with a variability lower than 30% in more

  16. Density functional theory calculation of monolayer WTe2 transition metal dichalcogenides doped with H, Li and Be

    NASA Astrophysics Data System (ADS)

    Igumbor, E.; Mapasha, R. E.; Meyer, W. E.

    2018-04-01

    Results based on density functional theory modelling of electronic and structural properties of single layer WTe2 dichalcogenides doped with X (X=H, Li and Be) were presented. The generalized gradient approximation functional of Perdew, Burke, and Ernzerhof exchange correlation was used for all calculations. Formation energies of X dopant substituted for W (XW) were obtained to be between 3.59 and 2.61 eV. The LiW defect with energy of formation of 2.14 eV was energetically the most favourable. For all dopants considered, while the HW induced no magnetic moment, the LiW and BeW induced magnetic moments of 3.44 and 0.05 μB, respectively. The band gap of the WTe2 as a result of the dopants was populated with several orbital ground states, and thus reduced within a few eV. While all XW behave as p - type dopant, the LiW defect posses half metallic character.

  17. Structures and Spectroscopic Properties of F-(H2O) n with n = 1-10 Clusters from a Global Search Based On Density Functional Theory.

    PubMed

    Shi, Ruili; Wang, Pengju; Tang, Lingli; Huang, Xiaoming; Chen, Yonggang; Su, Yan; Zhao, Jijun

    2018-04-05

    Using a genetic algorithm incorporated in density functional theory, we explore the ground state structures of fluoride anion-water clusters F - (H 2 O) n with n = 1-10. The F - (H 2 O) n clusters prefer structures in which the F - anion remains at the surface of the structure and coordinates with four water molecules, as the F - (H 2 O) n clusters have strong F - -H 2 O interactions as well as strong hydrogen bonds between H 2 O molecules. The strong interaction between the F - anion and adjacent H 2 O molecule leads to a longer O-H distance in the adjacent molecule than in an individual water molecule. The simulated infrared (IR) spectra of the F - (H 2 O) 1-5 clusters obtained via second-order vibrational perturbation theory (VPT2) and including anharmonic effects reproduce the experimental results quite well. The strong interaction between the F - anion and water molecules results in a large redshift (600-2300 cm -1 ) of the adjacent O-H stretching mode. Natural bond orbital (NBO) analysis of the lowest-energy structures of the F - (H 2 O) 1-10 clusters illustrates that charge transfer from the lone pair electron orbital of F - to the antibonding orbital of the adjacent O-H is mainly responsible for the strong interaction between the F - anion and water molecules, which leads to distinctly different geometric and vibrational properties compared with neutral water clusters.

  18. Phosphinodi(benzylsilane) PhP{(o-C6H4CH2)SiMe2H}2: a versatile "PSi2Hx" pincer-type ligand at ruthenium.

    PubMed

    Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Cuevas-Chávez, Cynthia A; Vendier, Laure; Grellier, Mary; Sabo-Etienne, Sylviane

    2013-09-03

    The synthesis of the new phosphinodi(benzylsilane) compound PhP{(o-C6H4CH2)SiMe2H}2 (1) is achieved in a one-pot reaction from the corresponding phenylbis(o-tolylphosphine). Compound 1 acts as a pincer-type ligand capable of adopting different coordination modes at Ru through different extents of Si-H bond activation as demonstrated by a combination of X-ray diffraction analysis, density functional theory calculations, and multinuclear NMR spectroscopy. Reaction of 1 with RuH2(H2)2(PCy3)2 (2) yields quantitatively [RuH2{[η(2)-(HSiMe2)-CH2-o-C6H4]2PPh}(PCy3)] (3), a complex stabilized by two rare high order ε-agostic Si-H bonds and involved in terminal hydride/η(2)-Si-H exchange processes. A small free energy of reaction (ΔrG298 = +16.9 kJ mol(-1)) was computed for dihydrogen loss from 3 with concomitant formation of the 16-electron species [RuH{[η(2)-(HSiMe2)-CH2-o-C6H4]PPh[CH2-o-C6H4SiMe2]}(PCy3)] (4). Complex 4 features an unprecedented (29)Si NMR decoalescence process. The dehydrogenation process is fully reversible under standard conditions (1 bar, 298 K).

  19. Part 1: Vadose-zone column studies of toluene (enhanced bioremediation) in a shallow unconfined aquifer

    USGS Publications Warehouse

    Tindall, J.A.; Friedel, M.J.; Szmajter, R.J.; Cuffin, S.M.

    2005-01-01

    The objectives of the laboratory study described in this paper were (1) to determine the effectiveness of four nutrient solutions and a control in stimulating the microbial degradation of toluene in the unsaturated zone as an alternative to bioremediation methodologies such as air sparging, in situ vitrification, or others (Part I), and (2) to compare the effectiveness of the addition of the most effective nutrient solution from Part I (modified Hoagland type, nitrate-rich) and hydrogen peroxide (H2O2) on microbial degradation of toluene for repeated, simulated spills in the unsaturated zone (Part II). For Part 1, fifteen columns (30-cm diameter by 150-cm height), packed with air-dried, 0.25-mm, medium-fine sand, were prepared to simulate shallow unconfined aquifer conditions. Toluene (10 mL) was added to the surface of each column, and soil solution and soil gas samples were collected from the columns every third day for 21 days. On day 21, a second application of toluene (10 mL) was made, and the experiment was run for another 21 days. Solution 4 was the most effective for microbial degradation in Part I. For Part II, three columns were designated nutrient-rich 3-day toluene columns and received toluene injections every 3 days; three columns were designated as nutrient-rich 7-day columns and received toluene injections every 7 days; and two columns were used as controls to which no nutrient was added. As measured by CO2 respiration, the initial benefits for aerobic organisms from the O2 enhancement were sustained by the bacteria for only a short period of time (about 8 days). Degradation benefits from the nutrient solution were sustained throughout the experiment. The O2 and nutrient-enhanced columns degraded significantly more toluene than the control columns when simulating repeated spills onto the unsaturated zone, and demonstrated a potentially effective in situ bioremediation technology when used immediately or within days after a spill. The combined usage

  20. Characterization of the efficiency of microbore liquid chromatography columns by van Deemter and kinetic plot analysis.

    PubMed

    Hetzel, Terence; Loeker, Denise; Teutenberg, Thorsten; Schmidt, Torsten C

    2016-10-01

    The efficiency of miniaturized liquid chromatography columns with inner diameters between 200 and 300 μm has been investigated using a dedicated micro-liquid chromatography system. Fully porous, core-shell and monolithic commercially available stationary phases were compared applying van Deemter and kinetic plot analysis. The sub-2 μm fully porous as well as the 2.7 μm core-shell particle packed columns showed superior efficiency and similar values for the minimum reduced plate heights (2.56-2.69) before correction for extra-column contribution compared to normal-bore columns. Moreover, the influence of extra-column contribution was investigated to demonstrate the difference between apparent and intrinsic efficiency by replacing the column by a zero dead volume union to determine the band spreading caused by the system. It was demonstrated that 72% of the intrinsic efficiency could be reached. The results of the kinetic plot analysis indicate the superior performance of the sub-2 μm fully porous particle packed column for ultra-fast liquid chromatography. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. H2O Adsorption on Smectites: Application to the Diurnal Variation of H2O in the Martian Atmosphere

    NASA Technical Reports Server (NTRS)

    Zent, Aaron P.; Howard, J.; Quinn, R. C.

    2000-01-01

    Observations of the Martian planetary boundary layer lead to interpretations that are baffling and contradictory. In this paper, we specifically address the question of whether or not water vapor finds a substantial diurnal reservoir in the Martian regolith. To address this issue, we have measured H2O adsorption kinetics on SWy-1, a Na-rich montmorillonite from Wyoming. The highest-temperature (273 K) data equilibrates rapidly. Data gathered at realistic H2O partial pressures and temperatures appropriate to early morning show two phenomena that preclude a significant role for smectites in diurnally exchanging a large column abundance. First, the equilibration timescale is longer than a sol. Second, the equilibrium abundances are a small fraction of that predicted by earlier adsorption isotherms. The explanation for this phenomenon is that smectite clay actually increases its surface area as a function of adsorptive coverage. At Mars-like conditions, we show that the interlayer sites of smectites are likely to be unavailable.

  2. Herschel observations of the Galactic H II region RCW 79

    NASA Astrophysics Data System (ADS)

    Liu, Hong-Li; Figueira, Miguel; Zavagno, Annie; Hill, Tracey; Schneider, Nicola; Men'shchikov, Alexander; Russeil, Delphine; Motte, Frédérique; Tigé, Jérémy; Deharveng, Lise; Anderson, Loren D.; Li, Jin-Zeng; Wu, Yuefang; Yuan, Jing-Hua; Huang, Maohai

    2017-06-01

    Context. Triggered star formation around H II regions could be an important process. The Galactic H II region RCW 79 is a prototypical object for triggered high-mass star formation. Aims: We aim to obtain a census of the young stellar population observed at the edges of the H II region and to determine the properties of the young sources in order to characterize the star formation processes that take place at the edges of this ionized region. Methods: We take advantage of Herschel data from the surveys HOBYS, "Evolution of Interstellar Dust", and Hi-Gal to extract compact sources. We use the algorithm getsources. We complement the Herschel data with archival 2MASS, Spitzer, and WISE data to determine the physical parameters of the sources (e.g., envelope mass, dust temperature, and luminosity) by fitting the spectral energy distribution. Results: We created the dust temperature and column density maps along with the column density probability distribution function (PDF) for the entire RCW 79 region. We obtained a sample of 50 compact sources in this region, 96% of which are situated in the ionization-compressed layer of cold and dense gas that is characterized by the column density PDF with a double-peaked lognormal distribution. The 50 sources have sizes of 0.1-0.4 pc with a typical value of 0.2 pc, temperatures of 11-26 K, envelope masses of 6-760 M⊙, densities of 0.1-44 × 105 cm-3, and luminosities of 19-12 712 L⊙. The sources are classified into 16 class 0, 19 intermediate, and 15 class I objects. Their distribution follows the evolutionary tracks in the diagram of bolometric luminosity versus envelope mass (Lbol-Menv) well. A mass threshold of 140 M⊙, determined from the Lbol-Menv diagram, yields 12 candidate massive dense cores that may form high-mass stars. The core formation efficiency (CFE) for the 8 massive condensations shows an increasing trend of the CFE with density. This suggests that the denser the condensation, the higher the fraction of its

  3. Species-to-species rate coefficients for the H3+ + H2 reacting system

    NASA Astrophysics Data System (ADS)

    Sipilä, O.; Harju, J.; Caselli, P.

    2017-10-01

    Aims: We study whether or not rotational excitation can make a large difference to chemical models of the abundances of the H3+ isotopologs, including spin states, in physical conditions corresponding to starless cores and protostellar envelopes. Methods: We developed a new rate coefficient set for the chemistry of the H3+ isotopologs, allowing for rotational excitation, using previously published state-to-state rate coefficients. These new so-called species-to-species rate coefficients are compared with previously-used ground-state-to-species rate coefficients by calculating chemical evolution in variable physical conditions using a pseudo-time-dependent chemical code. Results: We find that the new species-to-species model produces different results to the ground state-to-species model at high density and toward increasing temperatures (T> 10 K). The most prominent difference is that the species-to-species model predicts a lower H3+ deuteration degree at high density owing to an increase of the rate coefficients of endothermic reactions that tend to decrease deuteration. For example at 20 K, the ground-state-to-species model overestimates the abundance of H2D+ by a factor of about two, while the abundance of D3+ can differ by up to an order of magnitude between the models. The spin-state abundance ratios of the various H3+ isotopologs are also affected, and the new model better reproduces recent observations of the abundances of ortho and para H2D+ and D2H+. The main caveat is that the applicability regime of the new rate coefficients depends on the critical densities of the various rotational transitions which vary with the abundances of the species and the temperature in dense clouds. Conclusions: The difference in the abundances of the H3+ isotopologs predicted by the species-to-species and ground state-to-species models is negligible at 10 K corresponding to physical conditions in starless cores, but inclusion of the excited states is very important in studies

  4. [Influences of the mobile phase constitution, salt concentration and pH value on retention characters of proteins on the metal chelate column].

    PubMed

    Li, R; Di, Z M; Chen, G L

    2001-09-01

    The effects of the nature and concentration of salts, pH value and competitive eluent in the mobile phase on the protein retention have been systematically investigated. A mathematical expression describing the protein retention in metal chelate chromatography has been derived. It is proposed that the eluting power of the salt solution can be expressed by the eluent strength exponent epsilon. According to the retention characters of protein under different chromatographic conditions, the interaction between the various metal chelate ligands and proteins is discussed. The protein retention on the metal chelate column is a cooperative interactions of coordination, electrostatic and hydrophobic interaction. For the strong combined metal column with proteins such as IDA-Cu, the coordination is the most important, and the electrostatic interaction is secondary in chromatographic process. However, for the weak combined metal columns with proteins such as IDA-Ni, IDA-Co and IDA-Zn, the electrostatic interaction between the metal chelate ligands and proteins is the chief one, while the coordination is the next in importance. When the mobile phase contains high concentration of salt which can't form complex with the immobilized metal, the hydrophobic interaction between the protein and stationary phase will be increased. As the interaction between the metal chelate ligand and proteins relates to chromatographic operating conditions closely, different elution processes may be selected for different metal chelate columns. The gradient elution is generally performed by the low concentration of salt or different pH for weakly combined columns with proteins, however the competitive elution procedure is commonly utilized for strongly combined column. The experiment showed that NH3 is an excellent competitive eluent. It isn't only give the efficient separation of proteins, but also has the advantages of cheapness, less bleeding of the immobilized metals and ease of controlling NH3

  5. Reactive transport of metal contaminants in alluvium - Model comparison and column simulation

    USGS Publications Warehouse

    Brown, J.G.; Bassett, R.L.; Glynn, P.D.

    2000-01-01

    A comparative assessment of two reactive-transport models, PHREEQC and HYDROGEOCHEM (HGC), was done to determine the suitability of each for simulating the movement of acidic contamination in alluvium. For simulations that accounted for aqueous complexation, precipitation and dissolution, the breakthrough and rinseout curves generated by each model were similar. The differences in simulated equilibrium concentrations between models were minor and were related to (1) different units in model output, (2) different activity coefficients, and (3) ionic-strength calculations. When adsorption processes were added to the models, the rinseout pH simulated by PHREEQC using the diffuse double-layer adsorption model rose to a pH of 6 after pore volume 15, about 1 pore volume later than the pH simulated by HGC using the constant-capacitance model. In PHREEQC simulation of a laboratory column experiment, the inability of the model to match measured outflow concentrations of selected constituents was related to the evident lack of local geochemical equilibrium in the column. The difference in timing and size of measured and simulated breakthrough of selected constituents indicated that the redox and adsorption reactions in the column occurred slowly when compared with the modeled reactions. MINTEQA2 and PHREEQC simulations of the column experiment indicated that the number of surface sites that took part in adsorption reactions was less than that estimated from the measured concentration of Fe hydroxide in the alluvium.

  6. Slow equilibration of reversed-phase columns for the separation of ionized solutes.

    PubMed

    Marchand, D H; Williams, L A; Dolan, J W; Snyder, L R

    2003-10-10

    Reversed-phase columns that have been stored in buffer-free solvents can exhibit pronounced retention-time drift when buffered, low-pH mobile phases are used with ionized solutes. Whereas non-ionized compounds exhibit constant retention times within 20 min of the beginning of mobile phase flow, the retention of ionized compounds can continue to change (by 20% or more) for several hours. If mobile phase pH is changed from low to high and back again, an even longer time may be required before the column reaches equilibration at low pH. The speed of column equilibration for ionized solutes can vary significantly among different reversed-phase columns and is not affected by flow rate.

  7. Lidar Observations of Atmospheric CO2 Column During 2014 Summer Flight Campaigns

    NASA Technical Reports Server (NTRS)

    Lin, Bing; Harrison, F. Wallace; Fan, Tai-Fang

    2015-01-01

    Advanced knowledge in atmospheric CO2 is critical in reducing large uncertainties in predictions of the Earth' future climate. Thus, Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) from space was recommended by the U.S. National Research Council to NASA. As part of the preparation for the ASCENDS mission, NASA Langley Research Center (LaRC) and Exelis, Inc. have been collaborating in development and demonstration of the Intensity-Modulated Continuous-Wave (IM-CW) lidar approach for measuring atmospheric CO2 column from space. Airborne laser absorption lidars such as the Multi-Functional Fiber Laser Lidar (MFLL) and ASCENDS CarbonHawk Experiment Simulator (ACES) operating in the 1.57 micron CO2 absorption band have been developed and tested to obtain precise atmospheric CO2 column measurements using integrated path differential absorption technique and to evaluate the potential of the space ASCENDS mission. This presentation reports the results of our lidar atmospheric CO2 column measurements from 2014 summer flight campaign. Analysis shows that for the 27 Aug OCO-2 under flight over northern California forest regions, significant variations of CO2 column approximately 2 ppm) in the lower troposphere have been observed, which may be a challenge for space measurements owing to complicated topographic condition, heterogeneity of surface reflection and difference in vegetation evapotranspiration. Compared to the observed 2011 summer CO2 drawdown (about 8 ppm) over mid-west, 2014 summer drawdown in the same region measured was much weak (approximately 3 ppm). The observed drawdown difference could be the results of the changes in both meteorological states and the phases of growing seasons. Individual lidar CO2 column measurements of 0.1-s integration were within 1-2 ppm of the CO2 estimates obtained from on-board in-situ sensors. For weak surface reflection conditions such as ocean surfaces, the 1- s integrated signal-to-noise ratio (SNR) of

  8. Two new hot white dwarfs in a region of exceptionally low hi density

    NASA Technical Reports Server (NTRS)

    Barstow, M. A.; Wesemael, F.; Holberg, J. B.; Werner, K.; Buckley, D. A. H.; Stobie, R. S.; Fontaine, G.; Rosen, S. R.; Demers, S.; Lamontagne, R.

    1993-01-01

    We report the discovery of two hot white dwarfs which have the lowest line-of-sight neutral hydrogen column densities yet measured. The stars were found independently by the ROSAT EUV, Montreal-Cambridge-Tololo, and Edinburgh-Cape surveys. Follow-up observations made using the Voyager 2 ultraviolet spectrometer reveal strong continua shortward of the 912A Lyman limit from which we deduce that the neutral hydrogen column densities are 1.3 x 10(exp 17) and 2.0 x 10(exp 17) atoms/sq cm.

  9. Preparation of polymer monolithic column functionalized by arsonic acid groups for mixed-mode capillary liquid chromatography.

    PubMed

    Qin, Zhang-Na; Yu, Qiong-Wei; Wang, Ren-Qi; Feng, Yu-Qi

    2018-04-27

    A mixed-mode polymer monolithic column functionalized by arsonic acid groups was prepared by single-step in situ copolymerization of monomers p-methacryloylaminophenylarsonic acid (p-MAPHA) and pentaerythritol triacrylate (PETA). The prepared poly(p-MAPHA-co-PETA) monolithic column has a homogeneous monolithic structure with good permeability and mechanical stability. Zeta potential measurements reveal that the monolithic stationary phase holds a negative surface charge when the mobile phase resides in the pH range of 3.0-8.0. The retention mechanisms of prepared monolithic column are explored by the separation of selected polycyclic aromatic hydrocarbons (PAHs), nucleosides, and three basic compounds. The results indicate that the column functions in three different separation modes associated with reversed-phase chromatography based on hydrophobic interaction, hydrophilic interaction chromatography, and cation-exchange chromatography. The column efficiency of prepared monolithic column is estimated to be 70,000 and 76,000 theoretical plates/m for thiourea and naphthalene, respectively, at a linear flow velocity of 0.85 mm/s using acetonitrile/H 2 O (85/15, v/v) as the mobile phase. Furthermore, an analysis of the retention factors obtained for the PAHs indicates that the prepared monolithic column exhibits good reproducibility with relative standard deviations of 2.9%, 4.0%, and 4.7% based on run-to-run injections, column-to-column preparation, and batch-to-batch preparation, respectively. Finally, we investigate the separation performance of the proposed monolithic column for select phenols, sulfonamides, nucleobases and nucleosides. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Factors affecting UV/H2O2 inactivation of Bacillus atrophaeus spores in drinking water.

    PubMed

    Zhang, Yongji; Zhang, Yiqing; Zhou, Lingling; Tan, Chaoqun

    2014-05-05

    This study aims at estimating the performance of the Bacillus atrophaeus spores inactivation by the UV treatment with addition of H2O2. The effect of factors affecting the inactivation was investigated, including initial H2O2 dose, UV irradiance, initial cell density, initial solution pH and various inorganic anions. Under the experimental conditions, the B. atrophaeus spores inactivation followed both the modified Hom Model and the Chick's Model. The results revealed that the H2O2 played dual roles in the reactions, while the optimum reduction of 5.88lg was received at 0.5mM H2O2 for 10min. The inactivation effect was affected by the UV irradiance, while better inactivation effect was achieved at higher irradiance. An increase in the initial cell density slowed down the inactivation process. A slight acid condition at pH 5 was considered as the optimal pH value. The inactivation effect within 10min followed the order of pH 5>pH 7>pH 9>pH 3>pH 11. The effects of three added inorganic anions were investigated and compared, including sulfate (SO4(2)(-)), nitrate (NO3(-)) and carbonate (CO3(2)(-)). The sequence of inactivation effect within 10min followed the order of control group>SO4(2)(-)>NO3(-)>CO3(2)(-). Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Ab initio studies on Al(+)(H(2)O)(n), HAlOH(+)(H(2)O)(n-1), and the size-dependent H(2) elimination reaction.

    PubMed

    Siu, Chi-Kit; Liu, Zhi-Feng; Tse, John S

    2002-09-11

    We report computational studies on Al(+)(H(2)O)(n), and HAlOH(+)(H(2)O)(n-1), n = 6-14, by the density functional theory based ab initio molecular dynamics method, employing a planewave basis set with pseudopotentials, and also by conventional methods with Gaussian basis sets. The mechanism for the intracluster H(2) elimination reaction is explored. First, a new size-dependent insertion reaction for the transformation of Al(+)(H(2)O)(n), into HAlOH(+)(H(2)O)(n-1) is discovered for n > or = 8. This is because of the presence of a fairly stable six-water-ring structure in Al(+)(H(2)O)(n) with 12 members, including the Al(+). This structure promotes acidic dissociation and, for n > or = 8, leads to the insertion reaction. Gaussian based BPW91 and MP2 calculations with 6-31G* and 6-31G** basis sets confirmed the existence of such structures and located the transition structures for the insertion reaction. The calculated transition barrier is 10.0 kcal/mol for n = 9 and 7.1 kcal/mol for n = 8 at the MP2/6-31G** level, with zero-point energy corrections. Second, the experimentally observed size-dependent H(2) elimination reaction is related to the conformation of HAlOH(+)(H(2)O)(n-1), instead of Al(+)(H(2)O)(n). As n increases from 6 to 14, the structure of the HAlOH(+)(H(2)O)(n-1) cluster changes into a caged structure, with the Al-H bond buried inside, and protons produced in acidic dissociation could then travel through the H(2)O network to the vicinity of the Al-H bond and react with the hydride H to produce H(2). The structural transformation is completed at n = 13, coincident approximately with the onset of the H(2) elimination reaction. From constrained ab initio MD simulations, we estimated the free energy barrier for the H(2) elimination reaction to be 0.7 eV (16 kcal/mol) at n = 13, 1.5 eV (35 kcal/mol) at n = 12, and 4.5 eV (100 kcal/mol) at n = 8. The existence of transition structures for the H(2) elimination has also been verified by ab initio calculations

  12. Comparison of the surface ion density of silica gel evaluated via spectral induced polarization versus acid-base titration

    NASA Astrophysics Data System (ADS)

    Hao, Na; Moysey, Stephen M. J.; Powell, Brian A.; Ntarlagiannis, Dimitrios

    2016-12-01

    Surface complexation models are widely used with batch adsorption experiments to characterize and predict surface geochemical processes in porous media. In contrast, the spectral induced polarization (SIP) method has recently been used to non-invasively monitor in situ subsurface chemical reactions in porous media, such as ion adsorption processes on mineral surfaces. Here we compare these tools for investigating surface site density changes during pH-dependent sodium adsorption on a silica gel. Continuous SIP measurements were conducted using a lab scale column packed with silica gel. A constant inflow of 0.05 M NaCl solution was introduced to the column while the influent pH was changed from 7.0 to 10.0 over the course of the experiment. The SIP measurements indicate that the pH change caused a 38.49 ± 0.30 μS cm- 1 increase in the imaginary conductivity of the silica gel. This increase is thought to result from deprotonation of silanol groups on the silica gel surface caused by the rise in pH, followed by sorption of Na+ cations. Fitting the SIP data using the mechanistic model of Leroy et al. (Leroyet al., 2008), which is based on the triple layer model of a mineral surface, we estimated an increase in the silica gel surface site density of 26.9 × 1016 sites m- 2. We independently used a potentiometric acid-base titration data for the silica gel to calibrate the triple layer model using the software FITEQL and observed a total increase in the surface site density for sodium sorption of 11.2 × 1016 sites m- 2, which is approximately 2.4 times smaller than the value estimated using the SIP model. By simulating the SIP response based on the calibrated surface complexation model, we found a moderate association between the measured and estimated imaginary conductivity (R2 = 0.65). These results suggest that the surface complexation model used here does not capture all mechanisms contributing to polarization of the silica gel captured by the SIP data.

  13. Origin of the 20-electron structure of Mg3 MnH7 : Density functional calculations

    NASA Astrophysics Data System (ADS)

    Gupta, M.; Singh, D. J.; Gupta, R.

    2005-03-01

    The electronic structure and stability of the 20-electron complex hydride, Mg3MnH7 is studied using density functional calculations. The heat of formation is larger in magnitude than that of MgH2 . The deviation from the 18-electron rule is explained by the predominantly ionic character of the band structure and a large crystal-field splitting of the Mn d bands. In particular, each H provides one deep band accomodating two electrons, while the Mn t2g bands hold an additional six electrons per formula unit.

  14. Evaluating Rotavirus and Norovirus transport processes in standardised and natural soil-water columns experiments

    NASA Astrophysics Data System (ADS)

    Gamazo, Pablo; Schijven, Jack; Victoria, Matias; Alvareda, Elena; López Tort, Fernando; Ramos, Julián; Lizasoain, Andrés; Sapriza, Gonzalo; Castells, Matias; Colina, Rodney

    2017-04-01

    In Uruguay, as in many developed and developing countries, rotavirus and norovirus are major causes of diarrhea and others symptoms of acute gastroenteritis. In some areas of Uruguay, groundwater is the only source of water for human consumption. In the rural area of the Salto district, virus contamination has been detected in several groundwater wells. Because sewer coverage is low, the most probable sources of contamination are nearby septic systems. This work aims to evaluate the transport of rotavirus and norovirus from clinic samples in two sets of column experiments under saturated conditions: 6.7-cm columns with quartz sand (ionic strength 1mM, pH 7.0) and with sand from the Salto aquifer (Uruguay) (9,2% coarse sand, 47,8% medium sand, 40,5% fine sand, magnesium/calcium bicarbonate water, Ionic strength 15.1 mM, pH 7.2). Both viruses were seeded for 2 pore volumes onto the columns. Samples were collected at the column outlet and viruses were enumerated by Q-PRCR. Breakthrough curves were constructed and fitted to a two-site kinetic attachment/detachment model, including blocking using Hydrus-1D. In the quartz sand column, both rotavirus and norovirus were removed two orders in magnitude. In the Salto sand column, rotavirus was removed 2 log10 as well, but norovirus was removed 4 log10. The fitting of the breakthrough curves indicated that blocking played a role for rotavirus in the Salto sand column. These results are consistent with the field observation where only rotavirus was detected in the Salto aquifer, while similar concentrations in Salto sewer effluent were measured for both viruses. This work, besides reporting actual parameters values for human virus transport modelling, shows the significant differences in transport that human viruses can have in standardised and natural soil-water systems.

  15. H2, C I, Metallicity, and Dust Depletion in the Z = 2.34 Damped Lyα Absorption System toward QSO 1232+0815

    NASA Astrophysics Data System (ADS)

    Ge, Jian; Bechtold, Jill; Kulkarni, Varsha P.

    2001-01-01

    We report the detection of strong molecular hydrogen (H2) absorption lines in the z=2.34 damped Lyα absorber (DLA) toward QSO 1232+0815. This is the second detection in our survey for high-redshift molecules. The new ultraviolet spectrum of the QSO 1232+0815 at 0.9 Å resolution, taken with the Multiple Mirror Telescope Blue Channel Spectrograph, shows the υ=0-0 up to 10-0 Lyman bands and also the Werner υ=0-0 band of H2 associated with the z=2.34 DLA. We have estimated the total H2 column density in this system. It ranges from ~3×1019 cm-2 to ~3×1017 cm-2 depending on the Doppler parameters, b=6 or 10 km s-1. Based on the best fit with b=6 km s-1, the estimated kinetic temperature is TK~80 K. The measurements of the abundance of zinc and iron in the same DLA show that the metallicity measured by the relatively undepleted element zinc is [Zn/H]=-0.86, while the relative abundance ratio [Fe/Zn] is -1.04, indicating dust depletion. Combining our work with previous results on H2 and relative heavy-element depletion, we find that there is a correlation between them, which suggests that the formation of H2 on dust grains is perhaps the dominant formation process in high-redshift DLAs. Detections of strong absorption from the ground and excited states of neutral carbon (C I) in the z=2.34 DLA are also presented. The excitation temperature between the two fine-structure levels of C I is 15.7+/-3.5 K, an upper limit for the cosmic microwave background radiation temperature at z=2.34. This value is consistent with the prediction by the standard big bang cosmology. Observations here were obtained with the Multiple Mirror Telescope, a joint facility of the University of Arizona and the Smithsonian Institution.

  16. Significant Enhancement of H2 Formation in Disk Galaxies under Strong Ram Pressure

    NASA Astrophysics Data System (ADS)

    Henderson, Benjamin; Bekki, Kenji

    2016-05-01

    We show for the first time that H2 formation on dust grains can be enhanced in disk galaxies under strong ram pressure (RP). We numerically investigate how the time evolution of H I and H2 components in disk galaxies orbiting a group/cluster of galaxies can be influenced by the hydrodynamical interaction between the gaseous components of the galaxies and the hot intracluster medium. We find that compression of H I caused by RP increases H2 formation in disk galaxies before RP rapidly strips H I, cutting off the fuel supply and causing a drop in H2 density. We also find that the level of this H2 formation enhancement in a disk galaxy under RP depends on the mass of its host cluster dark matter halo, the initial positions and velocities of the disk galaxy, and the disk inclination angle with respect to the orbital plane. We demonstrate that dust growth is a key factor in the evolution of the H I and H2 mass in disk galaxies under strong RP. We discuss how the correlation between H2 fractions and surface gas densities of disk galaxies evolves with time in the galaxies under RP. We also discuss whether galaxy-wide star formation rates (SFRs) in cluster disk galaxies can be enhanced by RP if the SFRs depend on H2 densities.

  17. Seasonal and spatial variation of topside He+ column density obtained from Extreme Ultra Violet Imager onboard the International Space Station

    NASA Astrophysics Data System (ADS)

    Hozumi, Y.; Saito, A.; Murakami, G.; Yamazaki, A.; Yoshikawa, I.

    2016-12-01

    The seasonal, longitudinal and latitudinal variations of He+ distribution in the topside ionosphere in 2013 are elucidated with data of He+ resonant scattering obtained by Extreme Ultra Violet Imager (EUVI) onboard the International Space Station (ISS). EUVI provides a data set of the column density of He+ above the ISS orbit altitude. The data set provides a unique opportunity to study He+ distribution in the topside ionosphere from a different perspective of past studies using in-situ measurement data. During the solstice seasons, an enhancement of He+ column density in the winter hemisphere is observed. The magnitude of this hemispheric asymmetry shows a longitudinal variability. Around the June solstice, the hemispheric asymmetry was greater in the longitude sector where the geomagnetic declination angle is negative and smaller in the longitude sector where the geomagnetic declination angle is positive. Around the December solstice, on the other hand, this longitudinal variation of the asymmetry magnitude had opposite tendency. The hemispheric asymmetry of the effective neutral wind well explains this behavior of He+. The field-aligned component of neutral wind in the F-region is varied in longitude under the presence of finite geomagnetic declination angle and large zonal wind. In the equinox seasons, two longitudinal maxima were observed at around 140ºE and 30ºE. The longitudinal variation of the effective neutral wind is a candidate of these two maxima of He+ concentration. These results suggest that the transport of ions in the topside ionosphere is strongly affected by the F-region neutral wind.

  18. Small scale H I structure and the soft X-ray background

    NASA Technical Reports Server (NTRS)

    Jahoda, K.; Mccammon, D.; Lockman, F. J.

    1986-01-01

    The observed anticorrelation between diffuse soft X-ray flux and H I column density has been explained as absorption of soft X-rays produced in a hot galactic halo, assuming that the neutral interstellar material is sufficiently clumped to reduce the soft X-ray absorption cross section by a factor of two to three. A 21 cm emission line study of H I column density variations at intermediate and high galactic latitudes to 10' spatial resolution has been done. The results confirm conclusions from preliminary work at coarser resolution, and in combination with other data appear to rule out the hypothesis that clumping of neutral interstellar matter on any angular scale significantly reduces X-ray absorption cross sections in the 0.13 - 0.28 keV energy range. It is concluded therefore that the observed anticorrelation is not primarily a consequence of absorption of soft X-rays produced in a hot galactic halo.

  19. Large-Scale Structure of the Molecular Gas in Taurus Revealed by High Spatial Dynamic Range Spectral Line Mapping

    NASA Technical Reports Server (NTRS)

    Goldsmith, Paul F.

    2008-01-01

    Viewgraph topics include: optical image of Taurus; dust extinction in IR has provided a new tool for probing cloud morphology; observations of the gas can contribute critical information on gas temperature, gas column density and distribution, mass, and kinematics; the Taurus molecular cloud complex; average spectra in each mask region; mas 2 data; dealing with mask 1 data; behavior of mask 1 pixels; distribution of CO column densities; conversion to H2 column density; variable CO/H2 ratio with values much less than 10(exp -4) at low N indicated by UV results; histogram of N(H2) distribution; H2 column density distribution in Taurus; cumulative distribution of mass and area; lower CO fractional abundance in mask 0 and 1 regions greatly increases mass determined in the analysis; masses determined with variable X(CO) and including diffuse regions agrees well with the found from L(CO); distribution of young stars as a function of molecular column density; star formation efficiency; star formation rate and gas depletion; and enlarged images of some of the regions with numerous young stars. Additional slides examine the origin of the Taurus molecular cloud, evolution from HI gas, kinematics as a clue to its origin, and its relationship to star formation.

  20. Investigation of physical processes limiting plasma density in H-mode on DIII-D

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Maingi, R.; Mahdavi, M.A.; Jernigan, T.C.

    1996-12-01

    A series of experiments was conducted on the DIII-D tokamak to investigate the physical processes which limit density in high confinement mode (H-mode) discharges. The typical H-mode to low confinement mode (L-mode) transition limit at high density near the empirical Greenwald density limit was avoided by divertor pumping, which reduced divertor neutral pressure and prevented formation of a high density, intense radiation zone (MARFE) near the X-point. It was determined that the density decay time after pellet injection was independent of density relative to the Greenwald limit and increased non-linearly with the plasma current. Magnetohydrodynamic (MHD) activity in pellet-fueled plasmasmore » was observed at all power levels, and often caused unacceptable confinement degradation, except when the neutral beam injected (NBI) power was {le} 3 MW. Formation of MARFEs on closed field lines was avoided with low safety factor (q) operation but was observed at high q, qualitatively consistent with theory. By using pellet fueling and optimizing discharge parameters to avoid each of these limits, an operational space was accessed in which density {approximately} 1.5 {times} Greenwald limit was achieved for 600 ms, and good H-mode confinement was maintained for 300 ms of the density flattop. More significantly, the density was successfully increased to the limit where a central radiative collapse was observed, the most fundamental density limit in tokamaks.« less

  1. An experimental study of basaltic glass-H2O-CO2 interaction at 22 and 50 °C: Implications for subsurface storage of CO2

    NASA Astrophysics Data System (ADS)

    Galeczka, Iwona; Wolff-Boenisch, Domenik; Oelkers, Eric H.; Gislason, Sigurdur R.

    2014-02-01

    A novel high pressure column flow reactor was used to investigate the evolution of solute chemistry along a 2.3 m flow path during pure water- and CO2-charged water-basaltic glass interaction experiments at 22 and 50 °C and 10-5.7 to 22 bars partial pressure of CO2. Experimental results and geochemical modelling showed the pH of injected pure water evolved rapidly from 6.7 to 9-9.5 and most of the iron released to the fluid phase was subsequently consumed by secondary minerals, similar to natural meteoric water-basalt systems. In contrast to natural systems, however, the aqueous aluminium concentration remained relatively high along the entire flow path. The aqueous fluid was undersaturated with respect to basaltic glass and carbonate minerals, but supersaturated with respect to zeolites, clays, and Fe hydroxides. As CO2-charged water replaced the alkaline fluid within the column, the fluid briefly became supersaturated with respect to siderite. Basaltic glass dissolution in the column reactor, however, was insufficient to overcome the pH buffer capacity of CO2-charged water. The pH of this CO2-charged water rose from an initial 3.4 to only 4.5 in the column reactor. This acidic reactive fluid was undersaturated with respect to carbonate minerals but supersaturated with respect to clays and Fe hydroxides at 22 °C, and with respect to clays and Al hydroxides at 50 °C. Basaltic glass dissolution in the CO2-charged water was closer to stoichiometry than in pure water. The mobility and aqueous concentration of several metals increased significantly with the addition of CO2 to the inlet fluid, and some metals, including Mn, Cr, Al, and As exceeded the allowable drinking water limits. Iron became mobile and the aqueous Fe2+/Fe3+ ratio increased along the flow path. Although carbonate minerals did not precipitate in the column reactor in response to CO2-charged water-basaltic glass interaction, once this fluid exited the reactor, carbonates precipitated as the fluid

  2. Self-Driven Photoelectrochemical Splitting of H2S for S and H2 Recovery and Simultaneous Electricity Generation.

    PubMed

    Luo, Tao; Bai, Jing; Li, Jinhua; Zeng, Qingyi; Ji, Youzhi; Qiao, Li; Li, Xiaoyan; Zhou, Baoxue

    2017-11-07

    A novel, facile self-driven photoelectrocatalytic (PEC) system was established for highly selective and efficient recovery of H 2 S and simultaneous electricity production. The key ideas were the self-bias function between a WO 3 photoanode and a Si/PVC photocathode due to their mismatched Fermi levels and the special cyclic redox reaction mechanism of I - /I 3 - . Under solar light, the system facilitated the separation of holes in the photoanode and electrons in the photocathode, which then generated electricity. Cyclic redox reactions were produced in the photoanode region as follows: I - was transformed into I 3 - by photoholes or hydroxyl radicals, H 2 S was oxidized to S by I 3 - , and I 3 - was then reduced to I - . Meanwhile, H + was efficiently converted to H 2 in the photocathode region. In the system, H 2 S was uniquely oxidized to sulfur but not to polysulfide (S x n- ) because of the mild oxidation capacity of I 3 - . High recovery rates for S and H 2 were obtained up to ∼1.04 mg h -1 cm -1 and ∼0.75 mL h -1 cm -1 , respectively, suggesting that H 2 S was completely converted into H 2 and S. In addition, the output power density of the system reached ∼0.11 mW cm -2 . The proposed PEC-H 2 S system provides a self-sustaining, energy-saving method for simultaneous H 2 S treatment and energy recovery.

  3. Tetrahedral silsesquioxane-C2H2Ti complex for hydrogen storage

    NASA Astrophysics Data System (ADS)

    Konda, Ravinder; Tavhare, Priyanka; Ingale, Nilesh; Chaudhari, Ajay

    2018-04-01

    The interaction of molecular hydrogen with tetrahedral silsesquioxane (T4)-C2H2Ti complex has been studied using Density Functional Theory with M06-2X functional and MP2 method with 6-311++G** basis set. T4-C2H2Ti complex can absorb maximum five hydrogen molecules with the gravimetric hydrogen storage capacity of 3.4 wt %. Adsorption energy calculations show that H2 adsorption on T4-C2H2Ti complex is favorable at room temperature by both the methods. We have studied the effect of temperature and pressure on Gibbs free energy corrected adsorption energies. Molecular dynamics simulations for H2 adsorbed T4-C2H2Ti complex have also been performed at 300K and show that loosely bonded H2 molecule flies away within 1fs. Various interaction energies within the complex are studied. Stability of a complex is predicted by means of a gap between Highest Occupied Molecular Orbital (HUMO) and Lowest Unoccupied Molecular Orbital (LUMO). The H2 desorption temperature for T4-C2H2Ti complex is calculated with Van't Hoff equation and it is found to be 229K.

  4. A new measurement of the intergalactic temperature at z ˜ 2.55-2.95

    NASA Astrophysics Data System (ADS)

    Rorai, Alberto; Carswell, Robert F.; Haehnelt, Martin G.; Becker, George D.; Bolton, James S.; Murphy, Michael T.

    2018-03-01

    We present two measurements of the temperature-density relationship (TDR) of the intergalactic medium (IGM) in the redshift range 2.55 < z < 2.95 using a sample of 13 high-quality quasar spectra and high resolution numerical simulations of the IGM. Our approach is based on fitting the neutral hydrogen column density N_{H I} and the Doppler parameter b of the absorption lines in the Lyα forest. The first measurement is obtained using a novel Bayesian scheme that takes into account the statistical correlations between the parameters characterizing the lower cut-off of the b-N_{H I} distribution and the power-law parameters T0 and γ describing the TDR. This approach yields T0/103 K = 15.6 ± 4.4 and γ = 1.45 ± 0.17 independent of the assumed pressure smoothing of the small-scale density field. In order to explore the information contained in the overall b-N_{H I} distribution rather than only the lower cut-off, we obtain a second measurement based on a similar Bayesian analysis of the median Doppler parameter for separate column-density ranges of the absorbers. In this case, we obtain T0/103 K = 14.6 ± 3.7 and γ = 1.37 ± 0.17 in good agreement with the first measurement. Our Bayesian analysis reveals strong anticorrelations between the inferred T0 and γ for both methods as well as an anticorrelation of the inferred T0 and the pressure smoothing length for the second method, suggesting that the measurement accuracy can in the latter case be substantially increased if independent constraints on the smoothing are obtained. Our results are in good agreement with other recent measurements of the thermal state of the IGM probing similar (over-)density ranges.

  5. THE PHASE COHERENCE OF INTERSTELLAR DENSITY FLUCTUATIONS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Burkhart, Blakesley; Lazarian, A.

    2016-08-10

    Studies of MHD turbulence often investigate the Fourier power spectrum to provide information on the nature of the turbulence cascade. However, the Fourier power spectrum only contains the Fourier amplitudes and rejects all information regarding the Fourier phases. Here, we investigate the utility of two statistical diagnostics for recovering information on Fourier phases in ISM column density maps: the averaged amplitudes of the bispectrum and the phase coherence index (PCI), a new phase technique for the ISM. We create three-dimensional density and two-dimensional column density maps using a set of simulations of isothermal ideal MHD turbulence with a wide rangemore » of sonic and Alfvénic Mach numbers. We find that the bispectrum averaged along different angles with respect to either the k {sub 1} or k {sub 2} axis is primarily sensitive to the sonic Mach number while averaging the bispectral amplitudes over different annuli is sensitive to both the sonic and Alfvénic Mach numbers. The PCI of density suggests that the most correlated phases occur in supersonic sub-Alfvénic turbulence and near the shock scale. This suggests that nonlinear interactions with correlated phases are strongest in shock-dominated regions, in agreement with findings from the solar wind. Our results suggest that the phase information contained in the bispectrum and PCI can be used to find the turbulence parameters in column density maps.« less

  6. I(CO)/N(H2) conversions and molecular gas abundances in spiral and irregular galaxies

    NASA Technical Reports Server (NTRS)

    Maloney, Philip; Black, John H.

    1988-01-01

    Observations of emission in the J = 1-0 rotational transition of interstellar CO are used to obtain column densities and masses of hydrogen. By taking into account the effects of variations in molecular cloud parameters on conversion factors between integrated CO intensity and molecular hydrogen column density, it is shown that conversion factors are very sensitive to the kinetic temperature of the emitting gas. Results indicate that the gas temperatures in systems with high star formation rates can be quite high, and it is suggested that use of a standard conversion factor will lead to systematic overestimation of the amount of molecular gas.

  7. Candidate Water Vapor Lines to Locate the H2O Snowline through High-dispersion Spectroscopic Observations. III. Submillimeter H2 16O and H2 18O Lines

    NASA Astrophysics Data System (ADS)

    Notsu, Shota; Nomura, Hideko; Walsh, Catherine; Honda, Mitsuhiko; Hirota, Tomoya; Akiyama, Eiji; Millar, T. J.

    2018-03-01

    In this paper, we extend the results presented in our former papers on using ortho-{{{H}}}2{}16{{O}} line profiles to constrain the location of the H2O snowline in T Tauri and Herbig Ae disks, to include submillimeter para-{{{H}}}2{}16{{O}} and ortho- and para-{{{H}}}2{}18{{O}} lines. Since the number densities of the ortho- and para-{{{H}}}2{}18{{O}} molecules are about 560 times smaller than their 16O analogs, they trace deeper into the disk than the ortho-{{{H}}}2{}16{{O}} lines (down to z = 0, i.e., the midplane). Thus these {{{H}}}2{}18{{O}} lines are potentially better probes of the position of the H2O snowline at the disk midplane, depending on the dust optical depth. The values of the Einstein A coefficients of submillimeter candidate water lines tend to be lower (typically <10‑4 s‑1) than infrared candidate water lines. Thus in the submillimeter candidate water line cases, the local intensity from the outer optically thin region in the disk is around 104 times smaller than that in the infrared candidate water line cases. Therefore, in the submillimeter lines, especially {{{H}}}2{}18{{O}} and para-{{{H}}}2{}16{{O}} lines with relatively lower upper state energies (∼a few 100 K) can also locate the position of the H2O snowline. We also investigate the possibility of future observations with ALMA to identify the position of the water snowline. There are several candidate water lines that trace the hot water gas inside the H2O snowline in ALMA Bands 5–10.

  8. Experimental investigation on temperature distribution of foamed concrete filled steel tube column under standard fire

    NASA Astrophysics Data System (ADS)

    Kado, B.; Mohammad, S.; Lee, Y. H.; Shek, P. N.; Kadir, M. A. A.

    2018-04-01

    Standard fire test was carried out on 3 hollow steel tube and 6 foamed concrete filled steel tube columns. Temperature distribution on the columns was investigated. 1500 kg/m3 and 1800 kg/m3 foamed concrete density at 15%, 20% and 25% load level are the parameters considered. The columns investigated were 2400 mm long, 139.7 mm outer diameter and 6 mm steel tube thickness. The result shows that foamed concrete filled steel tube columns has the highest fire resistance of 43 minutes at 15% load level and low critical temperature of 671 ºC at 25% load level using 1500 kg/m3 foamed concrete density. Fire resistance of foamed concrete filled column increases with lower foamed concrete strength. Foamed concrete can be used to provide more fire resistance to hollow steel column or to replace normal weight concrete in concrete filled columns. Since filling hollow steel with foamed concrete produce column with high fire resistance than unfilled hollow steel column. Therefore normal weight concrete can be substituted with foamed concrete in concrete filled column, it will reduces the self-weight of the structure because of its light weight at the same time providing the desired fire resistance.

  9. A High Performance H2-Cl2 Fuel Cell for Space Power Applications

    NASA Technical Reports Server (NTRS)

    Anderson, Everett B.; Taylor, E. Jennings; Wilemski, Gerald; Gelb, Alan

    1993-01-01

    NASA has numerous airborne/spaceborne applications for which high power and energy density power sources are needed. The proton exchange membrane fuel cell (PEMFC) is an attractive candidate for such a power source. PEMFC's offer many advantages for airborne/spaceborne applications. They have high power and energy densities, convert fuel to electrical power with high efficiency at both part and full load, and can rapidly startup and shutdown. In addition, PEMFC's are lightweight and operate silently. A significant impediment to the attainment of very high power and energy densities by PEMFC's is their current exclusive reliance on oxygen as the oxidant. Conventional PEMFC's oxidize hydrogen at the anode and reduce oxygen at the cathode. The electrode kinetics of oxygen reduction are known to be highly irreversible, incurring large overpotential losses. In addition, the modest open circuit potential of 1.2V for the H2-O2 fuel cell is unattainable due to mixed potential effects at the oxygen electrode. Because of the high overpotential losses, cells using H2 and O2 are capable of achieving high current densities only at very low cell voltages, greatly curtailing their power output. Based on experimental work on chlorine reduction in a gas diffusion electrode, we believe significant increases in both the energy and power densities of PEMFC systems can be achieved by employing chlorine as an alternative oxidant.

  10. Ultra high-performance liquid chromatography of porphyrins in clinical materials: column and mobile phase selection and optimisation.

    PubMed

    Benton, Christopher M; Lim, Chang Kee; Moniz, Caje; Jones, Donald J L

    2012-06-01

    Ultra high-performance liquid chromatographic (UHPLC) systems on columns packed with materials ranging from 1.9 to 2.7 µm average particle size were assessed for the fast and sensitive analysis of porphyrins in clinical materials. The fastest separation was achieved on an Agilent Poroshell C(18) column (2.7 µm particle size, 50 × 4.6 mm i.d.), followed by a Thermo Hypersil Gold C(18) column (1.9 µm particle size, 50 × 2.1 mm i.d.) and the Thermo Hypersil BDS C(18) column (2.4 µm particle size, 100 × 2.1 mm i.d.). All columns required a mobile phase containing 1 m ammonium acetate buffer, pH 5.16, with a mixture of acetonitrile and methanol as the organic modifiers for optimum resolution of the type I and III isomers, particularly for uroporphyrin I and III isomers. All UHPLC columns were suitable and superior to conventional HPLC columns packed with 5 µm average particle size materials for clinical sample analysis. Copyright © 2011 John Wiley & Sons, Ltd.

  11. Stochastic Accumulation by Cortical Columns May Explain the Scalar Property of Multistable Perception

    NASA Astrophysics Data System (ADS)

    Cao, Robin; Braun, Jochen; Mattia, Maurizio

    2014-08-01

    The timing of certain mental events is thought to reflect random walks performed by underlying neural dynamics. One class of such events—stochastic reversals of multistable perceptions—exhibits a unique scalar property: even though timing densities vary widely, higher moments stay in particular proportions to the mean. We show that stochastic accumulation of activity in a finite number of idealized cortical columns—realizing a generalized Ehrenfest urn model—may explain these observations. Modeling stochastic reversals as the first-passage time of a threshold number of active columns, we obtain higher moments of the first-passage time density. We derive analytical expressions for noninteracting columns and generalize the results to interacting columns in simulations. The scalar property of multistable perception is reproduced by a dynamic regime with a fixed, low threshold, in which the activation of a few additional columns suffices for a reversal.

  12. Maximizing performance in supercritical fluid chromatography using low-density mobile phases.

    PubMed

    Gritti, Fabrice; Fogwill, Michael; Gilar, Martin; Jarrell, Joseph A

    2016-10-14

    The performance of a 3.0mm×150mm column packed with 1.8μm fully porous HSS-SB-C 18 particles was investigated in supercritical fluid chromatography (SFC) with low-density, highly expansible carbon dioxide. These conditions are selected for the analysis of semi-volatile compounds. Elevated temperatures (>100°C) were then combined with low column back pressures (<100bar). In this work, the inlet temperature of pure carbon dioxide was set at 107°C, the active back pressure regulator (ABPR) pressure was fixed at 100bar, and the flow rate was set at 2.1mL/min at 12°C (liquefied carbon dioxide) and at an inlet column pressure close to 300bar. Nine n-alkylbenzenes (from benzene to octadecylbenzene) were injected under linear (no sample overload) conditions. The severe steepness of the temperature gradients across the column diameter were predicted from a simplified heat transfer model. Such conditions dramatically lower the column performance by affecting the symmetry of the peak shape. In order to cope with this problem, three different approaches were experimentally tested. They include (1) the decoupling and the proper selection of the inlet eluent temperature with respect to the oven temperature, (2) the partial thermal insulation of the column using polyethylene aerogel, and (3) the application of a high vacuum (10 -5 Torr provided by a turbo-molecular pump) in a housing chamber surrounding the whole column body. The results reveal that (1) the column efficiency can be maximized by properly selecting the difference between the eluent and the oven temperatures, (2) the mere wrapping of the column with an excellent insulating material is insufficient to fully eliminate heat exchanges by conduction and the undesirable radial density gradients across the column i.d., and (3) the complete thermal insulation of the SFC column under high vacuum allows to maximize the column efficiency by maintaining the integrity of the peak shape. Copyright © 2016 Elsevier B.V. All

  13. Atomic Oxygen Abundance in Molecular Clouds: Absorption Toward Sagittarius B2

    NASA Technical Reports Server (NTRS)

    Lis, D. C.; Keene, Jocelyn; Phillips, T. G.; Schilke, P.; Werner, M. W.; Zmuidzinas, J.

    2001-01-01

    We have obtained high-resolution (approximately 35 km/s) spectra toward the molecular cloud Sgr B2 at 63 micrometers, the wavelength of the ground-state fine-structure line of atomic oxygen (O(I)), using the ISO-LWS instrument. Four separate velocity components are seen in the deconvolved spectrum, in absorption against the dust continuum emission of Sgr B2. Three of these components, corresponding to foreground clouds, are used to study the O(I) content of the cool molecular gas along the line of sight. In principle, the atomic oxygen that produces a particular velocity component could exist in any, or all, of three physically distinct regions: inside a dense molecular cloud, in the UV illuminated surface layer (PDR) of a cloud, and in an atomic (H(I)) gas halo. For each of the three foreground clouds, we estimate, and subtract from the observed O(I) column density, the oxygen content of the H(I) halo gas, by scaling from a published high-resolution 21 cm spectrum. We find that the remaining O(I) column density is correlated with the observed (13)CO column density. From the slope of this correlation, an average [O(I)]/[(13)CO] ratio of 270 +/- 120 (3-sigma) is derived, which corresponds to [O(I)]/[(13)CO] = 9 for a CO to (13)CO abundance ratio of 30. Assuming a (13)CO abundance of 1x10(exp -6) with respect to H nuclei, we derive an atomic oxygen abundance of 2.7x10(exp -4) in the dense gas phase, corresponding to a 15% oxygen depletion compared to the diffuse ISM in our Galactic neighborhood. The presence of multiple, spectrally resolved velocity components in the Sgr B2 absorption spectrum allows, for the first time, a direct determination of the PDR contribution to the O(I) column density. The PDR regions should contain O(I) but not (13)CO, and would thus be expected to produce an offset in the O(I)-(13)CO correlation. Our data do not show such an offset, suggesting that within our beam O(I) is spatially coexistent with the molecular gas, as traced by (13)CO

  14. Highly destabilized Mg-Ti-Ni-H system investigated by density functional theory and hydrogenography

    NASA Astrophysics Data System (ADS)

    Broedersz, C. P.; Gremaud, R.; Dam, B.; Griessen, R.; Løvvik, O. M.

    2008-01-01

    Using hydrogenography, we recently mapped the thermodynamic properties of a large range of compositions in the quaternary Mg-Ti-Ni-H system. The enthalpy of hydride formation of Mg-Ni alloys is significantly altered upon Ti doping. For a small range of compositions, we find a hydrogenation enthalpy ΔH=-40kJ (molH2)-1 , which is the desired enthalpy for hydrogen storage at moderate temperature and pressure. This enthalpy value is surprising since it is significantly less negative than the ΔH of the Mg-Ni and Mg-Ti hydrides. The nanostructure of the Mg-Ti-Ni-H films hinders a direct determination of the hydride phases involved by x-ray diffraction. Using density functional theory calculations for various hydrogenation reaction paths, we establish that the destabilization of the Mg-Ni-H system by Ti doping is due to the formation of Mg2Ni and Ti-Ni intermetallics in the as-deposited state, which transform into a metastable Ti-doped Mg2NiH4 phase upon hydrogenation. The Ti-doped Mg2NiH4 phase can be considered as a heavily doped semiconductor.

  15. D/H fractionation in the H2-H2O system at supercritical water conditions: Compositional and hydrogen bonding effects

    NASA Astrophysics Data System (ADS)

    Foustoukos, Dionysis I.; Mysen, Bjorn O.

    2012-06-01

    O-D⋯O environment. This difference allows enhanced gas solubility in the denser and more polar H2O clusters, and thus, affects the D/H exchange between the H2-D2 volatiles and the coexisting H2O-D2O mixtures. The proposed role of temperature in promoting differences in the density and polarity of hydrogen-bonded OHO and ODO molecules may be explained with isotope-specific molar volume effects similar to those suggested to account for the hydrogen isotope fractionation between H2O and hydroxide mineral phases (e.g. brucite) across large pressure intervals.

  16. Seasonal cycle and secular trend of the total and tropospheric column abundance of ethane above the Jungfraujoch

    NASA Technical Reports Server (NTRS)

    Ehhalt, D. H.; Schmidt, U.; Zander, R.; Demoulin, P.; Rinsland, C. P.

    1991-01-01

    The secular trend and the seasonal cycle of the total and the tropospheric column abundances of C2H6 over the Jungfraujoch Station (Switzerland) were deduced from infrared solar spectra recorded in 1951 and from 1984 to 1988. Results show a definite seasonal variation in the total vertical column abundance of C2H6, with a maximum of (1.43 + or - 0.03) x 10 to the 16th molecules/sq cm during March and April and a minimum in the fall; the ratio between the maximum and the minimum column abundances was found to be 1.62 + or - 0.11. The secular trend in the tropospheric burden above the Jungfraujoch was found to be (0.85 + or - 0.3) percent/yr.

  17. Characterization and optimization of cathodic conditions for H2O2 synthesis in microbial electrochemical cells

    EPA Science Inventory

    Cathode potential and O2 supply methods were investigated to improve H2O2 synthesis in an electrochemical cell, and optimal cathode conditions were applied for microbial electrochemical cells (MECs). Using aqueous O2 for the cathode significantly improved current density, but H2...

  18. Resolving the Structure of Ionized Helium in the Intergalactic Medium with the Far Ultraviolet Spectroscopic Explorer. 2.3

    NASA Technical Reports Server (NTRS)

    Kriss, G. A.; Shull, J. M.; Oegerle, W.; Zheng, W.; Davidsen, A. F.; Songaila, A.; Tumlinson, J.; Cowie, L. L.; Dehavreng, J.-M.; Friedman, S. D.

    2001-01-01

    The neutral hydrogen and the ionized helium absorption in the spectra of high-redshift quasi-stellar objects (QSOs) are unique probes of structure in the universe at epochs intermediate between the earliest density fluctuations seen in the cosmic background radiation and the distribution of galaxies visible today. We present Far-Ultraviolet Spectroscopic Explorer (FUSE) observations of the line of sight to the QSO HE2347-4342 in the 1000-1187 angstrom band at a resolving power of 15,000. Above redshift z = 2.7, the IGM is largely opaque in He II Ly-alpha (304 angstroms). At lower redshifts, the optical depth gradually decreases to a mean value tau = 1 at z = 2.4. We resolve the He II Ly-alpha absorption as a discrete forest of absorption lines in the z = 2.3 - 2.7 redshift range. Approximately 50% of these spectral features have H I counterparts with column densities N(sub HI) > 10(exp 12.3)/sq cm visible in a Keck spectrum. These account for most of the observed opacity in He II Ly-alpha. The remainder have N(sub HI) < 10(exp 12.3)/sq cm, below the threshold for current observations. A short extrapolation of the power-law distribution of H I column densities to lower values can account for these new absorbers. The He II to H I column density ratio eta averages approximately 80, consistent with photoionization of the IGM by a hard ionizing spectrum resulting from the integrated light of quasars at high redshift, but there is considerable scatter. Values of eta > 100 in many locations indicate that there may be localized contributions from starbursts or heavily filtered QSO radiation.

  19. Superconducting order from disorder in 2H-TaSe2-xSx

    NASA Astrophysics Data System (ADS)

    Li, Lijun; Deng, Xiaoyu; Wang, Zhen; Liu, Yu; Abeykoon, Milinda; Dooryhee, Eric; Tomic, Aleksandra; Huang, Yanan; Warren, John B.; Bozin, Emil S.; Billinge, Simon J. L.; Sun, Yuping; Zhu, Yimei; Kotliar, Gabriel; Petrovic, Cedomir

    2017-12-01

    We report on the emergence of robust superconducting order in single crystal alloys of TaSe2-xSx (0 ≤ × ≤ 2). The critical temperature of the alloy is surprisingly higher than that of the two end compounds TaSe2 and TaS2. The evolution of superconducting critical temperature Tc(x) correlates with the full width at half maximum of the Bragg peaks and with the linear term of the high-temperature resistivity. The conductivity of the crystals near the middle of the alloy series is higher or similar than that of either one of the end members 2H-TaSe2 and/or 2H-TaS2. It is known that in these materials superconductivity is in close competition with charge density wave order. We interpret our experimental findings in a picture where disorder tilts this balance in favor of superconductivity by destroying the charge density wave order.

  20. Collision cross sections of N2 by H+ impact at keV energies within time-dependent density-functional theory

    NASA Astrophysics Data System (ADS)

    Yu, W.; Gao, C.-Z.; Zhang, Y.; Zhang, F. S.; Hutton, R.; Zou, Y.; Wei, B.

    2018-03-01

    We calculate electron capture and ionization cross sections of N2 impacted by the H+ projectile at keV energies. To this end, we employ the time-dependent density-functional theory coupled nonadiabatically to molecular dynamics. To avoid the explicit treatment of the complex density matrix in the calculation of cross sections, we propose an approximate method based on the assumption of constant ionization rate over the period of the projectile passing the absorbing boundary. Our results agree reasonably well with experimental data and semi-empirical results within the measurement uncertainties in the considered energy range. The discrepancies are mainly attributed to the inadequate description of exchange-correlation functional and the crude approximation for constant ionization rate. Although the present approach does not predict the experiments quantitatively for collision energies below 10 keV, it is still helpful to calculate total cross sections of ion-molecule collisions within a certain energy range.

  1. Mechanism of nuclear spin initiated para-H2 to ortho-H2 conversion.

    PubMed

    Buntkowsky, G; Walaszek, B; Adamczyk, A; Xu, Y; Limbach, H-H; Chaudret, B

    2006-04-28

    In this paper a quantitative explanation for a diamagnetic ortho/para H2 conversion is given. The description is based on the quantum-mechanical density matrix formalism originally developed by Alexander and Binsch for studies of exchange processes in NMR spectra. Only the nuclear spin system is treated quantum-mechanically. Employing the model of a three spin system, the reactions of the hydrogen gas with the catalysts are treated as a phenomenological rate process, described by a rate constant. Numerical calculations reveal that for nearly all possible geometrical arrangements of the three spin system an efficient spin conversion is obtained. Only in the chemically improbable case of a linear group H-X-H no spin conversion is obtained. The efficiency of the spin conversion depends strongly on the lifetime of the H-X-H complex and on the presence of exchange interactions between the two hydrogens. Even moderate exchange couplings cause a quench of the spin conversion. Thus a sufficiently strong binding of the dihydrogen to the S spin is necessary to render the quenching by the exchange interaction ineffective.

  2. Fixed Bed Column Study for Adsolubilization of 2,4-D Herbicide on Surfactant Modified Silica Gel Waste

    NASA Astrophysics Data System (ADS)

    Koner, S.; Adak, A.

    2012-09-01

    The fixed bed column study was conducted for the removal of 2,4-dichlorophenoxyacetic acid (2,4-D), a widely used herbicide from synthetically prepared wastewater using surfactant modified silica gel waste (SMSGW) as an adsorbing media. The adsorbing media was prepared by treating silica gel waste (SGW) with cationic surfactant. The removal was due to adsolubilization of 2,4-D molecules within the admicelles formed on the surface of SGW. The column having 2.5 cm diameter, with different bed heights such as 20, 30 and 40 cm were used in the study. The different column design parameters like depth of exchange zone, time required for exchange zone to move its own height, adsorption rate constant, adsorption capacity constant were calculated using BDST model. The SMSGW was found to be a very efficient media for the removal of 2,4-D from wastewater. Column design parameters were modeled for different field conditions to predict the duration of column run for practical application.

  3. Planetesimal formation by an axisymmetric radial bump of the column density of the gas in a protoplanetary disk

    NASA Astrophysics Data System (ADS)

    Onishi, Isamu K.; Sekiya, Minoru

    2017-04-01

    We investigate the effect of a radial pressure bump in a protoplanetary disk on planetesimal formation. We performed the two-dimensional numerical simulation of the dynamical interaction of solid particles and gas with an initially defined pressure bump under the assumption of axisymmetry. The aim of this work is to elucidate the effects of the stellar vertical gravity that were omitted in a previous study. Our results are very different from the previous study, which omitted the vertical gravity. Because dust particles settle toward the midplane because of the vertical gravity to form a thin dust layer, the regions outside of the dust layer are scarcely affected by the back-reaction of the dust. Hence, the gas column density keeps its initial profile with a bump, and dust particles migrate toward the bump. In addition, the turbulence due to the Kelvin-Helmholtz instability caused by the difference of the azimuthal velocities between the inside and outside of the dust layer is suppressed where the radial pressure gradient is reduced by the pressure bump. The dust settling proceeds further where the turbulence is weak, and a number of dust clumps are formed. The dust density in some clumps exceeds the Roche density. Planetesimals are considered to be formed from these clumps owing to the self-gravity.[Figure not available: see fulltext.

  4. Density Gradients in Chemistry Teaching

    ERIC Educational Resources Information Center

    Miller, P. J.

    1972-01-01

    Outlines experiments in which a density gradient might be used to advantage. A density gradient consists of a column of liquid, the composition and density of which varies along its length. The procedure can be used in analysis of solutions and mixtures and in density measures of solids. (Author/TS)

  5. Interstellar clouds containing optically thin H2

    NASA Technical Reports Server (NTRS)

    Jura, M.

    1975-01-01

    The theory of Black and Delgarno that the relative populations of the excited rotational levels of H2 can be understood in terms of cascading following absorption in the Lyman and Werner bands is employed to infer the gas densities and radiation fields within diffuse interstellar clouds containing H2 that is optically thin in those bands. The procedure is described for computing the populations of the different rotation levels, the relative distribution among the different rotation levels of newly formed H2 is determined on the basis of five simplified models, and the rate of H2 formation is estimated. The results are applied to delta Ori, two components of iota Ori, the second components of rho Leo and zeta Ori, tau Sco, gamma Vel, and zeta Pup. The inferred parameters are summarized for each cloud.

  6. Helical patterns of magnetization and magnetic charge density in iron whiskers

    NASA Astrophysics Data System (ADS)

    Templeton, Terry L.; Hanham, Scott D.; Arrott, Anthony S.

    2018-05-01

    Studies with the (1 1 1) axis along the long axis of an iron whisker, 40 years ago, showed two phenomena that have remained unexplained: 1) In low fields, there are six peaks in the ac susceptibility, separated by 0.2 mT; 2) Bitter patterns showed striped domain patterns. Multipole columns of magnetic charge density distort to form helical patterns of the magnetization, accounting for the peaks in the susceptibility from the propagation of edge solitons along the intersections of the six sides of a (1 1 1) whisker. The stripes follow the helices. We report micromagnetic simulations in cylinders with various geometries for the cross-sections from rectangular, to hexagonal, to circular, with wide ranges of sizes and lengths, and different anisotropies, including (0 0 1) whiskers and the hypothetical case of no anisotropy. The helical patterns have been there in previous studies, but overlooked. The surface swirls and body helices are connected, but have their own individual behaviors. The magnetization patterns are more easily understood when viewed observing the scalar divergences of the magnetization as isosurfaces of magnetic charge density. The plus and minus charge densities form columns that interact with unlike charges attracting, but not annihilating as they are paid for by a decrease in exchange energy. Just as they start to form the helix, the columns are multipoles. If one could stretch the columns, the self-energy of the charges in a column would be diminished while making the attractive interactions of the unlike charges larger. The columns elongate by becoming helical. The visualization of 3-D magnetic charge distributions aids in the understanding of magnetization in soft magnetic materials.

  7. Infrared and EPR Spectroscopic Studies of 2-C 2H 2F and 1-C 2H 2F Radicals Isolated in Solid Argon

    NASA Astrophysics Data System (ADS)

    Goldschleger, I. U.; Akimov, A. V.; Misochko, E. Ya.; Wight, C. A.

    2001-02-01

    2-fluorovinyl radicals were generated in solid argon by solid-state chemical reactions of mobile F atoms with acetylene and its deuterated analogues. Highly resolved EPR spectra of the stabilized radicals CHF•CH, CDF•CD, CHF•CD, and CDF•CH were obtained for the first time. The observed spectra were assigned to cis-2-fluorovinyl radical based on excellent agreement between the measured (aF = 6.50, aβH = 3.86, aαH = 0.25 mT) hyperfine constants and those calculated using density functional (B3LYP) theory. Analogous experiments carried out using infrared spectroscopy yielded a complete assignment of the vibrational frequencies. An unusual reversible photochemical conversion is observed in which cis-2-fluorovinyl radicals can be partially converted to 1-fluorovinyl radicals by pulsed laser photolysis at 532 nm. Photolysis at 355 nm converts 1-fluorovinyl back to cis-2-fluorovinyl. High-resolution EPR and infrared spectra of 1-fluorovinyl were obtained for the first time. The measured hyperfine constants (aF = 13.71, aH1 = 4.21, aH2 = 1.16 mT) are in good agreement with calculated values.

  8. Development of a Fabry-Perot Interferometer for Ultra-Precise Measurements of Column CO2

    NASA Technical Reports Server (NTRS)

    Wilson, Emily L.; Georgieva, Elena M.; Heaps, William S.

    2005-01-01

    A passive Fabry-Perot based instrument is described for detecting column CO2 through absorption measurements at 1.58 microns . In this design, solar flux reaches the instrument platform and is directed through two channels. In the first channel, transmittance fi5nges from a Fabry-Perot interferometer are aligned with CO2 absorption lines so that absorption due to CO2 is primarily detected. The second channel encompasses the same frequency region as the first, but is comparatively more sensitive to changes in the solar flux than absorption due to CO2. The ratio of these channels is sensitive to changes in the total CO2 column, but not to changes in solar flux. This inexpensive instrument will offer high precision measurements (error 4%) in a compact package. Design of this instrument and preliminary ground-based measurements of column CO2 are presented here as well as strategies for deployment on aircraft and satellite platforms.

  9. Core-mass nonadiabatic corrections to molecules: H2, H2+, and isotopologues.

    PubMed

    Diniz, Leonardo G; Alijah, Alexander; Mohallem, José Rachid

    2012-10-28

    For high-precision calculations of rovibrational states of light molecules, it is essential to include non-adiabatic corrections. In the absence of crossings of potential energy surfaces, they can be incorporated in a single surface picture through coordinate-dependent vibrational and rotational reduced masses. We present a compact method for their evaluation and relate in particular the vibrational mass to a well defined nuclear core mass derived from a Mulliken analysis of the electronic density. For the rotational mass we propose a simple, but very effective parametrization. The use of these masses in the nuclear Schrödinger equation yields numerical data for the corrections of a much higher quality than can be obtained with optimized constant masses, typically better than 0.1 cm(-1). We demonstrate the method for H(2), H(2)(+), and singly deuterated isotopologues. Isotopic asymmetry does not present any particular difficulty. Generalization to polyatomic molecules is straightforward.

  10. Total column CO2 measurements at Darwin, Australia - site description and calibration against in situ aircraft profiles

    NASA Astrophysics Data System (ADS)

    Deutscher, N. M.; Griffith, D. W. T.; Bryant, G. W.; Wennberg, P. O.; Toon, G. C.; Washenfelder, R. A.; Keppel-Aleks, G.; Wunch, D.; Yavin, Y.; Allen, N. T.; Blavier, J.-F.; Jiménez, R.; Daube, B. C.; Bright, A. V.; Matross, D. M.; Wofsy, S. C.; Park, S.

    2010-03-01

    An automated Fourier Transform Spectroscopic (FTS) solar observatory was established in Darwin, Australia in August 2005. The laboratory is part of the Total Carbon Column Observing Network, and measures atmospheric column abundances of CO2 and O2 and other gases. Measured CO2 columns were calibrated against integrated aircraft profiles obtained during the TWP-ICE campaign in January-February 2006, and show good agreement with calibrations for a similar instrument in Park Falls, Wisconsin. A clear-sky low airmass relative precision of 0.1% is demonstrated in the CO2 and O2 retrieved column-averaged volume mixing ratios. The 1% negative bias in the FTS XCO2 relative to the World Meteorological Organization (WMO) calibrated in situ scale is within the uncertainties of the NIR spectroscopy and analysis.

  11. Total column CO2 measurements at Darwin, Australia - site description and calibration against in situ aircraft profiles

    NASA Astrophysics Data System (ADS)

    Deutscher, N. M.; Griffith, D. W. T.; Bryant, G. W.; Wennberg, P. O.; Toon, G. C.; Washenfelder, R. A.; Keppel-Aleks, G.; Wunch, D.; Yavin, Y.; Allen, N. T.; Blavier, J.-F.; Jiménez, R.; Daube, B. C.; Bright, A. V.; Matross, D. M.; Wofsy, S. C.; Park, S.

    2010-07-01

    An automated Fourier Transform Spectroscopic (FTS) solar observatory was established in Darwin, Australia in August 2005. The laboratory is part of the Total Carbon Column Observing Network, and measures atmospheric column abundances of CO2 and O2 and other gases. Measured CO2 columns were calibrated against integrated aircraft profiles obtained during the TWP-ICE campaign in January-February 2006, and show good agreement with calibrations for a similar instrument in Park Falls, Wisconsin. A clear-sky low airmass relative precision of 0.1% is demonstrated in the CO2 and O2 retrieved column-averaged volume mixing ratios. The 1% negative bias in the FTS XCO2 relative to the World Meteorological Organization (WMO) calibrated in situ scale is within the uncertainties of the NIR spectroscopy and analysis.

  12. Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1 H -tetrazol-1-olate) with five different cations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.

    In energetic materials, the crystal density is an important parameter that affects the performance of the material. When making ionic energetic materials, the choice of counter-ion can have detrimental or beneficial effects on the packing, and therefore the density, of the resulting energetic crystal. Presented herein are a series of five ionic energetic crystals, all containing the dianion 5,5′-(3,3′-bi[1,2,4-oxadiazole]-5,5′-diyl)bis(1 H -tetrazol-1-olate), with the following cations: hydrazinium ( 1 ) (2N 2 H 5 + ·C 6 N 12 O 4 2− ), hydroxylammonium ( 2 ) 2NH 4 O + ·C 6 N 12 O 4 2− [Pagoria et al..more » (2017). Chem. Heterocycl. Compd , 53 , 760–778; included for comparison], dimethylammonium ( 3 ) (2C 2 H 8 N + ·C 6 N 12 O 4 2− ), 5-amino-1 H -tetrazol-4-ium ( 4 ) (2CH 4 N 5 + ·C 6 N 12 O 4 2− ·4H 2 O), and aminoguanidinium ( 5 ) (2CH 7 N 4 + ·C 6 N 12 O 4 2− ). Both the supramolecular interactions and the sterics of the cation play a role in the density of the resulting crystals, which range from 1.544 to 1.873 Mg m −1 . In 5 , the tetrazolate ring is disordered over two positions [occupancy ratio 0.907 (5):0.093 (5)] due to a 180° rotation in the terminal tetrazole rings.« less

  13. Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1 H -tetrazol-1-olate) with five different cations

    DOE PAGES

    Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; ...

    2018-03-09

    In energetic materials, the crystal density is an important parameter that affects the performance of the material. When making ionic energetic materials, the choice of counter-ion can have detrimental or beneficial effects on the packing, and therefore the density, of the resulting energetic crystal. Presented herein are a series of five ionic energetic crystals, all containing the dianion 5,5′-(3,3′-bi[1,2,4-oxadiazole]-5,5′-diyl)bis(1 H -tetrazol-1-olate), with the following cations: hydrazinium ( 1 ) (2N 2 H 5 + ·C 6 N 12 O 4 2− ), hydroxylammonium ( 2 ) 2NH 4 O + ·C 6 N 12 O 4 2− [Pagoria et al..more » (2017). Chem. Heterocycl. Compd , 53 , 760–778; included for comparison], dimethylammonium ( 3 ) (2C 2 H 8 N + ·C 6 N 12 O 4 2− ), 5-amino-1 H -tetrazol-4-ium ( 4 ) (2CH 4 N 5 + ·C 6 N 12 O 4 2− ·4H 2 O), and aminoguanidinium ( 5 ) (2CH 7 N 4 + ·C 6 N 12 O 4 2− ). Both the supramolecular interactions and the sterics of the cation play a role in the density of the resulting crystals, which range from 1.544 to 1.873 Mg m −1 . In 5 , the tetrazolate ring is disordered over two positions [occupancy ratio 0.907 (5):0.093 (5)] due to a 180° rotation in the terminal tetrazole rings.« less

  14. Active sites and mechanisms for H2O2 decomposition over Pd catalysts

    PubMed Central

    Plauck, Anthony; Stangland, Eric E.; Dumesic, James A.; Mavrikakis, Manos

    2016-01-01

    A combination of periodic, self-consistent density functional theory (DFT-GGA-PW91) calculations, reaction kinetics experiments on a SiO2-supported Pd catalyst, and mean-field microkinetic modeling are used to probe key aspects of H2O2 decomposition on Pd in the absence of cofeeding H2. We conclude that both Pd(111) and OH-partially covered Pd(100) surfaces represent the nature of the active site for H2O2 decomposition on the supported Pd catalyst reasonably well. Furthermore, all reaction flux in the closed catalytic cycle is predicted to flow through an O–O bond scission step in either H2O2 or OOH, followed by rapid H-transfer steps to produce the H2O and O2 products. The barrier for O–O bond scission is sensitive to Pd surface structure and is concluded to be the central parameter governing H2O2 decomposition activity. PMID:27006504

  15. Optimization of CO2 Surface Flux using GOSAT Total Column CO2: First Results for 2009-2010

    NASA Astrophysics Data System (ADS)

    Basu, S.; Houweling, S.

    2011-12-01

    Constraining surface flux estimates of CO2 using satellite measurements has been one of the long-standing goals of the atmospheric inverse modeling community. We present the first results of inverting GOSAT total column CO2 measurements for obtaining global monthly CO2 flux maps over one year (June 2009 to May 2010). We use the SRON RemoTeC retrieval of CO2 for our inversions. The SRON retrieval has been shown to have no bias when compared to TCCON total column measurements, and latitudinal gradients of the retrieved CO2 are consistent with gradients deduced from the surface flask network [Butz et al, 2011]. This makes this retrieval an ideal candidate for atmospheric inversions, which are highly sensitive to spurious gradients. Our inversion system is analogous to the CarbonTracker (CT) data assimilation system; it is initialized with the prior CO2 fluxes of CT, and uses the same atmospheric transport model, i.e., TM5. The two major differences are (a) we add GOSAT CO2 data to the inversion in addition to flask data, and (b) we use a 4DVAR optimization system instead of a Kalman filter. We compare inversions using (a) only GOSAT total column CO2 measurements, (b) only surface flask CO2 measurements, and (c) the joint data set of GOSAT and surface flask measurements. We validate GOSAT-only inversions against the NOAA surface flask network and joint inversions against CONTRAIL and other aircraft campaigns. We see that inverted fluxes from a GOSAT-only inversion are consistent with fluxes from a stations-only inversion, reaffirming the low biases in SRON retrievals. From the joint inversion, we estimate the amount of added constraints upon adding GOSAT total column measurements to existing surface layer measurements.

  16. The Effect of N2 Photoabsorption Cross Section Resolution on C2H6 Production in Titan’s Ionosphere

    NASA Astrophysics Data System (ADS)

    Luspay-Kuti, Adrienn; Mandt, Kathleen E.; Plessis, Sylvain; Greathouse, Thomas K.

    2014-11-01

    Titan’s rich organic chemistry begins with the photochemistry of only two molecules: N2 and CH4. The details on how higher-order hydrocarbons and nitriles are formed from these molecules have key implications for both the structure and evolution of Titan’s atmosphere, and for its surface-atmosphere interactions. Of high importance is the production of C2H6, which is a sink for CH4, and a main component in the polar lakes. Results of photochemical models, though, may be sensitive to the choice of input parameters, such as the N2 photoabsorption cross section resolution, as previously shown for nitrogen (Liang et al. (2007) ApJL 664, 115-118), and CH4 (Lavvas et al. (2011) Icarus 213, 233-251). Here we investigate the possibility of the same effect on the production rates of C2H6. We modeled production and loss rates, as well as mixing ratio and density profiles between an altitude of 600 and 1600 km for low and high resolution N2 cross sections via a coupled ion-neutral-thermal model (De La Haye et al. (2008) Icarus 197, 110-136; Mandt et al. (2012) JGR 117, E10006). Our results show a clear impact of photoabsorption cross section resolution used on all neutral and ion species contributing to C2H6 production. The magnitude of the influence varies amongst species. Ethane production profiles exhibit a significant increase with better resolution; a factor of 1.2 between 750 and 950 km, and a factor of 1.1 in the total column-integrated production rate. These values are lower limits, as additional reactions involving C2H5 not included in the model may also contribute to the production rates. The clear effect on C2H6 (which is not a parent molecule, nor does it bear nitrogen) may have important implications for other molecules in Titan’s atmosphere as well. The possible non-negligible impact of an isotope of nitrogen may argue for the inclusion of isotopes in photochemical models. For future analysis, development of a more efficient and streamlined model called

  17. 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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kobayashi, Hitomi; Kawakita, Hideyo; Hidaka, Hiroshi

    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 contrastmore » 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.« less

  18. The ESA GOME-Evolution "Climate" water vapor product: a homogenized time series of H2O columns from GOME, SCIAMACHY, and GOME-2

    NASA Astrophysics Data System (ADS)

    Beirle, Steffen; Lampel, Johannes; Wang, Yang; Mies, Kornelia; Dörner, Steffen; Grossi, Margherita; Loyola, Diego; Dehn, Angelika; Danielczok, Anja; Schröder, Marc; Wagner, Thomas

    2018-03-01

    We present time series of the global distribution of water vapor columns over more than 2 decades based on measurements from the satellite instruments GOME, SCIAMACHY, and GOME-2 in the red spectral range. A particular focus is the consistency amongst the different sensors to avoid jumps from one instrument to another. This is reached by applying robust and simple retrieval settings consistently. Potentially systematic effects due to differences in ground pixel size are avoided by merging SCIAMACHY and GOME-2 observations to GOME spatial resolution, which also allows for a consistent treatment of cloud effects. In addition, the GOME-2 swath is reduced to that of GOME and SCIAMACHY to have consistent viewing geometries.Remaining systematic differences between the different sensors are investigated during overlap periods and are corrected for in the homogenized time series. The resulting Climate product v2.2 (2.2" target="_blank">https://doi.org/10.1594/WDCC/GOME-EVL_water_vapor_clim_v2.2) allows the study of the temporal evolution of water vapor over the last 20 years on a global scale.

  19. Cell density related H2 consumption in relation to anoxic Fe(0) corrosion and precipitation of corrosion products by Shewanella oneidensis MR-1.

    PubMed

    De Windt, Wim; Boon, Nico; Siciliano, Steven D; Verstraete, Willy

    2003-11-01

    In the absence of oxygen, a protective H2 film is formed around an Fe(0) surface, inhibiting the electron flow from this surface. Our study of anoxic corrosion of Fe(0) beads revealed that, in the presence of Shewanella oneidensis MR-1, H2 removal and precipitation of Fe mineral particles on the cell surface are determining processes for corrosion. These two biologically mediated processes were governed by cell density. H2 removal by Shewanella oneidensis was detected at cell concentrations of 1.0 x 10(6) live cells ml-1 and higher and H2 was electron donor for denitrification of NO3-. The removal of the protective H2 layer from Fe(0) beads by Shewanella oneidensis, resulted in an increase of Fe release out of the Fe(0) beads from 153 +/- 25 mg l(-1) to 196 +/- 7 mg l-1 after 20 h. When the cell concentration exceeded 1.0 x 10(8) live cells ml-1, precipitation of iron minerals on the cell surface was characteristic for the greatest percentage of MR-1 cells, whereas micrometre-scale iron precipitates not associated with culturable cell biomass significantly decreased in number. Addition of supernatant of a corrosion assay with high cell concentration induced metabolic activity in a corrosion assay with low cell concentration, resulting in increased H2 consumption and Fe release from Fe(0) beads. Homoserine lactone-like molecules were detected in the supernatant by a bio-assay, suggesting the involvement of a quorum-sensing regulatory mechanism.

  20. Pressure-induced superconductivity in H2-containing hydride PbH4(H2)2

    PubMed Central

    Cheng, Ya; Zhang, Chao; Wang, Tingting; Zhong, Guohua; Yang, Chunlei; Chen, Xiao-Jia; Lin, Hai-Qing

    2015-01-01

    High pressure structure, stability, metallization, and superconductivity of PbH4(H2)2, a H2-containing compound combining one of the heaviest elements with the lightest element, are investigated by the first-principles calculations. The metallic character is found over the whole studied pressure range, although PbH4(H2)2 is metastable and easily decompose at low pressure. The decomposition pressure point of 133 GPa is predicted above which PbH4(H2)2 is stable both thermodynamically and dynamically with the C2/m symmetry. Interestedly, all hydrogen atoms pairwise couple into H2 quasi-molecules and remain this style up to 400 GPa in the C2/m structure. At high-pressure, PbH4(H2)2 tends to form the Pb-H2 alloy. The superconductivity of Tc firstly rising and then falling is observed in the C2/m PbH4(H2)2. The maximum of Tc is about 107 K at 230 GPa. The softening of intermediate-frequency phonon induced by more inserted H2 molecules is the main origin of the high Tc. The results obtained represent a significant step toward the understanding of the high pressure behavior of metallic hydrogen and hydrogen-rich materials, which is helpful for obtaining the higher Tc. PMID:26559369

  1. H α and H β Raman scattering line profiles of the symbiotic star AG Pegasi

    NASA Astrophysics Data System (ADS)

    Lee, Seong-Jae; Hyung, Siek

    2018-04-01

    The H α and H β line profiles of the symbiotic star AG Pegasi, observed in 1998 September (phase ϕ = 10.24), display top narrow double Gaussian components and bottom broad components (FWHM = 200-400 km s-1). The photoionization model indicates that the ionized zone, responsible for the hydrogen Balmer and Lyman lines, is radiation-bounded, with a hydrogen gas number density of nH ˜ 109.85 cm-3 and a gas temperature of Te = 12 000-15 000 K. We have carried out Monte Carlo simulations to fit the Raman scattering broad wings, assuming that the hydrogen Ly β and Ly γ lines emitted within the radiation-bounded H II zone around a white dwarf have the same double Gaussian line profile shape as the hydrogen Balmer lines. The simulation shows that the scattering H I zones are attached to (or located just outside) the inner H II shells. The best fit to the observed broad H I line profiles indicates that the column density of the scattering neutral zone is NH ≃ 3-5 × 1019 cm-2. We have examined whether the geometrical structure responsible for the observed H α and H β line profiles is a bipolar conical shell structure, consisting of the radiation-bounded ionized zone and the outer material bounded neutral zone. The expanding bipolar structure might be two opposite regions of the common envelope or the outer shell of the Roche lobe around the hot white dwarf, formed through the mass inflows from the giant star and pushed out by the fast winds from the hot white dwarf.

  2. A composite reactor with wetted-wall column for mineral carbonation study in three-phase systems.

    PubMed

    Zhu, Chen; Yao, Xizhi; Zhao, Liang; Teng, H Henry

    2016-11-01

    Despite the availability of various reactors designed to study gas-liquid reactions, no appropriate devices are available to accurately investigate triple-phased mineral carbonation reactions involving CO 2 gas, aqueous solutions (containing divalent cations), and carbonate minerals. This report presents a composite reactor that combines a modified conventional wetted-wall column, a pH control module, and an attachment to monitor precipitation reactions. Our test and calibration experiments show that the absorption column behaved largely in agreement with theoretical predictions and previous observations. Experimental confirmation of CO 2 absorption in NaOH and ethanolamine supported the effectiveness of the column for gas-liquid interaction. A test run in the CO 2 -NH 3 -MgCl 2 system carried out for real time investigation of the relevant carbonation reactions shows that the reactor's performance closely followed the expected reaction path reflected in pH change, the occurrence of precipitation, and the rate of NH 3 addition, indicating the appropriateness of the composite device in studying triple-phase carbonation process.

  3. Repeatability of the efficiency of columns packed with sub-3μm core-shell particles: Part I. 2.6μm Kinetex-C(18) particles in 4.6mm and 2.1mm×100mm column formats.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2012-08-24

    The column-to-column repeatability of the mass transfer mechanism in columns packed with sub-3μm shell particles was investigated. The parameters of this mechanism were measured for twelve columns (six 2.1mm×100mm and six 4.6mm×100mm) packed with the same batch of 2.6μm Kinetex-C(18) particles (Phenomenex, CA, USA). For both series, the manufacturer provided columns at different positions in the efficiency distribution given by the quality test control. Three compounds were used, uracil, naphthalene and insulin. The reduced longitudinal diffusion term was measured with the peak parking (PP) method, the reduced solid-liquid mass transfer resistance term was given by a combination of the PP results and a model of effective diffusion in ternary composite materials (non-porous cores, concentric porous shell, and eluent matrix), validated previously. The overall eddy diffusion term was obtained by subtraction of these two HETP terms from the overall reduced HETP measured by numerical integration of the entire peak profiles. The results demonstrate that the dispersion of the column efficiencies is only due to the random nature of the packing process. At the highest reduced velocity achieved, the relative standard deviations (RSDs) of the eddy diffusion term for the 2.1mm I.D. columns were ca. 7% and 3% for the low molecular weight compounds and for insulin, respectively. For the 4.6mm I.D. columns, these RSDs were 15% and 5%, respectively. The larger RSDs for the 4.6mm I.D. columns is explained by the exceptionally low value of the eddy diffusion term. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Study of Differential Column Measurements for Urban Greenhouse Gas Emission Monitoring

    NASA Astrophysics Data System (ADS)

    Chen, Jia; Hedelius, Jacob K.; Viatte, Camille; Jones, Taylor; Franklin, Jonathan E.; Parker, Harrison; Wennberg, Paul O.; Gottlieb, Elaine W.; Dubey, Manvendra K.; Wofsy, Steven C.

    2016-04-01

    Urban areas are home to 54% of the total global population and account for ˜ 70% of total fossil fuel emissions. Accurate methods for measuring urban and regional scale carbon fluxes are required in order to design and implement policies for emissions reduction initiatives. In this paper, we demonstrate novel applications of compact solar-tracking Fourier transform spectrometers (Bruker EM27/SUN) for differential measurements of the column-averaged dry-air mole fractions (DMFs) of CH4 and CO2 within urban areas. Our differential column method uses at least two spectrometers to make simultaneous measurements of CO2, CH4 and O2 column number densities. We then compute the column-averaged DMFs XG for a gas G and the differences ΔXG between downwind and upwind stations. By accurately measuring the small differences in integrated column amounts across local and regional sources, we directly observe the mass loading of the atmosphere due to the influence of emissions in the intervening locale. The inference of the source strength is much more direct than inversion modeling using only surface concentrations, and less subject to errors associated with modeling small-scale transport phenomena. We characterize the differential sensor system using Allan variance analysis and show that the differential column measurement has a precision of 0.01% for XCO2 and XCH4 using an optimum integration time of 10 min, which corresponds to standard deviations of 0.04 ppm, and 0.2 ppb, respectively. The sensor system is very stable over time and after relocation across the contiguous US, i.e. the scaling factors between the two Harvard EM27/SUNs and the measured instrument line function parameters are consistent. We use the differential column measurements to determine the emission of an area source. We measure the downwind minus upwind column gradient ΔXCH4 (˜ 2 ppb, 0.1%) across dairy farms in the Chino California area, and input the data to a simple column model for comparison with

  5. HOW UNIVERSAL IS THE {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} RELATION?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Feldmann, R.; Gnedin, N. Y.; Kravtsov, A. V., E-mail: feldmann@fnal.gov

    It is a well-established empirical fact that the surface density of the star formation rate, {Sigma}{sub SFR}, strongly correlates with the surface density of molecular hydrogen, {Sigma}{sub H{sub 2}}, at least when averaged over large ({approx}kpc) scales. Much less is known, however, about whether (and how) the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation depends on environmental parameters, such as the metallicity or the UV radiation field in the interstellar medium (ISM). Furthermore, observations indicate that the scatter in the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation increases rapidly with decreasing averaging scale. How the scale-dependent scatter is generated and how one recovers amore » tight {approx} kpc scale {Sigma}{sub SFR}-{Sigma}{sub 2} relation in the first place is still largely debated. Here, these questions are explored with hydrodynamical simulations that follow the formation and destruction of H{sub 2}, include radiative transfer of UV radiation, and resolve the ISM on {approx}60 pc scales. We find that within the considered range of H{sub 2} surface densities (10-100 M{sub sun} pc{sup -2}), the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation is steeper in environments of low-metallicity and/or high-radiation fields (compared to the Galaxy), that the star formation rate (SFR) at a given H{sub 2} surface density is larger, and the scatter is increased. Deviations from a 'universal' {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation should be particularly relevant for high-redshift galaxies or for low-metallicity dwarfs at z {approx} 0. We also find that the use of time-averaged SFRs produces a large, scale-dependent scatter in the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation. Given the plethora of observational data expected from upcoming surveys such as ALMA, the scale-scatter relation may indeed become a valuable tool for determining the physical mechanisms connecting star formation and H{sub 2} formation.« less

  6. Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

    DOE PAGES

    Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; ...

    2016-05-10

    In a series of DIII-D [J. L. Luxon, Nucl. Fusion 42 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron cyclotron heating (ECH). By adding 3.4 MW ECH doubles T e/T i from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This then suggests fusion -heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking and low collisionality, with equal electron andmore » ion temperatures, key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comp. Phys. 186 545 (2003)] (and GENE [F. Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra from Doppler Backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [W. Dorland et al., Phys. Rev. Lett. 85 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q 0 > q min > 1.« less

  7. H{sub 2} adsorption in Li-decorated porous graphene

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Seenithurai, S.; Pandyan, R. Kodi; Kumar, S. Vinodh

    Porous graphene (PG) has been decorated with Li atoms and subsequently studied the hydrogen (H{sub 2}) adsorption characteristics, by using Density Functional Theory (DFT)-based calculations. A 2×2 PG has been decorated with eight Li atoms. Upto four H{sub 2} molecules get adsorbed on each Li atom. The maximum H{sub 2} storage capacity that could be achieved in 2×2PG-8Li is 8.95 wt% which is higher than the U.S. DOE’s revised target for the on-board vehicles. The average H{sub 2} adsorption binding energy is 0.535 eV/H{sub 2}, which lies between 0.2-0.6 eV/H{sub 2} that is required for achieving adsorption and desorption atmore » near ambient conditions. Thus, Li-decorated PG could be a viable option for on-board automobile applications.« less

  8. Interdigitated Color- and Disparity-Selective Columns within Human Visual Cortical Areas V2 and V3

    PubMed Central

    Polimeni, Jonathan R.; Tootell, Roger B.H.

    2016-01-01

    In nonhuman primates (NHPs), secondary visual cortex (V2) is composed of repeating columnar stripes, which are evident in histological variations of cytochrome oxidase (CO) levels. Distinctive “thin” and “thick” stripes of dark CO staining reportedly respond selectively to stimulus variations in color and binocular disparity, respectively. Here, we first tested whether similar color-selective or disparity-selective stripes exist in human V2. If so, available evidence predicts that such stripes should (1) radiate “outward” from the V1–V2 border, (2) interdigitate, (3) differ from each other in both thickness and length, (4) be spaced ∼3.5–4 mm apart (center-to-center), and, perhaps, (5) have segregated functional connections. Second, we tested whether analogous segregated columns exist in a “next-higher” tier area, V3. To answer these questions, we used high-resolution fMRI (1 × 1 × 1 mm3) at high field (7 T), presenting color-selective or disparity-selective stimuli, plus extensive signal averaging across multiple scan sessions and cortical surface-based analysis. All hypotheses were confirmed. V2 stripes and V3 columns were reliably localized in all subjects. The two stripe/column types were largely interdigitated (e.g., nonoverlapping) in both V2 and V3. Color-selective stripes differed from disparity-selective stripes in both width (thickness) and length. Analysis of resting-state functional connections (eyes closed) showed a stronger correlation between functionally alike (compared with functionally unlike) stripes/columns in V2 and V3. These results revealed a fine-scale segregation of color-selective or disparity-selective streams within human areas V2 and V3. Together with prior evidence from NHPs, this suggests that two parallel processing streams extend from visual subcortical regions through V1, V2, and V3. SIGNIFICANCE STATEMENT In current textbooks and reviews, diagrams of cortical visual processing highlight two distinct neural

  9. Synthetic Observations of 21 cm H I Line Profiles from Inhomogeneous Turbulent Interstellar H I Gas with Magnetic Fields

    NASA Astrophysics Data System (ADS)

    Fukui, Yasuo; Hayakawa, Takahiro; Inoue, Tsuyoshi; Torii, Kazufumi; Okamoto, Ryuji; Tachihara, Kengo; Onishi, Toshikazu; Hayashi, Katsuhiro

    2018-06-01

    We carried out synthetic observations of interstellar atomic hydrogen at 21 cm wavelength by utilizing the magnetohydrodynamic numerical simulations of the inhomogeneous turbulent interstellar medium. The cold neutral medium (CNM) shows a significantly clumpy distribution with a small volume filling factor of 3.5%, whereas the warm neutral medium (WNM) has a distinctly different and smooth distribution with a large filling factor of 96.5%. In projection on the sky, the CNM exhibits a highly filamentary distribution with a subparsec width, whereas the WNM shows a smooth, extended distribution. In the H I optical depth, the CNM is dominant and the contribution of the WNM is negligibly small. The CNM has an area covering factor of 30% in projection, while the WNM has a covering factor of 70%. This means that the emission–absorption measurements toward radio continuum compact sources tend to sample the WNM with a probability of 70%, yielding a smaller H I optical depth and a smaller H I column density than those of the bulk H I gas. The emission–absorption measurements, which are significantly affected by the small-scale large fluctuations of the CNM properties, are not suitable for characterizing the bulk H I gas. Larger-beam emission measurements that are able to fully sample the H I gas will provide a better tool for that purpose, if a reliable proxy for hydrogen column density, possibly dust optical depth and gamma rays, is available. The present results provide a step toward precise measurements of the interstellar hydrogen with ∼10% accuracy. This will be crucial in interstellar physics, including identification of the proton–proton interaction in gamma-ray supernova remnants.

  10. The alpha Centauri Line of Sight: D/H Ratio, Physical Properties of Local Interstellar Gas, and Measurement of Heated Hydrogen (The 'Hydrogen Wall') Near the Heliopause

    NASA Technical Reports Server (NTRS)

    Linsky, Jeffrey L.; Wood, Brian E.

    1996-01-01

    We analyze high-resolution spectra of the nearby (1.34 pc) stars alpha Cen A (G2 V) and alpha Cen B (K1 V), which were obtained with the Goddard High Resolution Spectrograph on the Hubble Space Telescope. The observations consist of echelle spectra of the Mg II 2800 A and Fe II 2599 A resonance lines and the Lyman-alpha lines of hydrogen and deuterium. The interstellar gas has a velocity (v = - 18.0 +/- 0.2 km/s) consistent with the local flow vector proposed for this line of sight by Lailement & Berlin (1992). The temperature and nonthermal velocity inferred from the Fe II, Mg II, and D I line profiles are T = 5400 +/- 500 K and xi = 1.20 +/- 0.25 km/s, respectively. However, single-component fits to the H I Lyman-alpha lines yield a Doppler parameter (b(sub HI) = 11.80 km/s) that implies a significantly warmer temperature of 8350 K, and the velocity of the H I absorption (v = - 15.8 +/- 0.2 km/s) is redshifted by about 2.2 km/s with respect to the Fe II, Mg II, and D I lines. The one-component model of the interstellar gas suggests natural logarithm N base HI = 18.03 +/- 0.01 and D/H = (5.7 +/- 0.2) x 10(exp -6) . These parameters lead to a good fit to the observed spectra, but this model does not explain the higher temperature and redshift of H I relative to the other interstellar lines. The most sensible way to resolve the discrepancy between H(I) and the other lines is to add a second absorption component to the H(I) lines. This second component is hotter (T approx. equals 30,000 K), is redshifted relative to the primary component by 2-4 km/s, and has a column density too low to be detected in the Fe(II), Mg(II), and D(I) lines. We propose that the gas responsible for this component is located near the heliopause, consisting of the heated H I gas from the interstellar medium that is compressed by the solar wind. This so-called 'hydrogen wall' is predicted by recent multifluid gasdynamical models of the interstellar gas and solar wind interaction. Our data

  11. The alpha Centauri Line of Sight: D/H Ratio, Physical Properties of Local Interstellar Gas, and Measurement of Heated Hydrogen (The 'Hydrogen Wall') Near the Heliopause

    NASA Astrophysics Data System (ADS)

    Linsky, Jeffrey L.; Wood, Brian E.

    1996-05-01

    We analyze high-resolution spectra of the nearby (1.34 pc) stars alpha Cen A (G2 V) and alpha Cen B (K1 V), which were obtained with the Goddard High Resolution Spectrograph on the Hubble Space Telescope. The observations consist of echelle spectra of the Mg II 2800 A and Fe II 2599 A resonance lines and the Lyman-alpha lines of hydrogen and deuterium. The interstellar gas has a velocity (v = - 18.0 +/- 0.2 km/s) consistent with the local flow vector proposed for this line of sight by Lailement & Berlin (1992). The temperature and nonthermal velocity inferred from the Fe II, Mg II, and D I line profiles are T = 5400 +/- 500 K and xi = 1.20 +/- 0.25 km/s, respectively. However, single-component fits to the H I Lyman-alpha lines yield a Doppler parameter (bHI = 11.80 km/s) that implies a significantly warmer temperature of 8350 K, and the velocity of the H I absorption (v = - 15.8 +/- 0.2 km/s) is redshifted by about 2.2 km/s with respect to the Fe II, Mg II, and D I lines. The one-component model of the interstellar gas suggests natural logarithm N base HI = 18.03 +/- 0.01 and D/H = (5.7 +/- 0.2) x 10-6 . These parameters lead to a good fit to the observed spectra, but this model does not explain the higher temperature and redshift of H I relative to the other interstellar lines. The most sensible way to resolve the discrepancy between H(I) and the other lines is to add a second absorption component to the H(I) lines. This second component is hotter (T approx. equals 30,000 K), is redshifted relative to the primary component by 2-4 km/s, and has a column density too low to be detected in the Fe(II), Mg(II), and D(I) lines. We propose that the gas responsible for this component is located near the heliopause, consisting of the heated H I gas from the interstellar medium that is compressed by the solar wind. This so-called 'hydrogen wall' is predicted by recent multifluid gasdynamical models of the interstellar gas and solar wind interaction. Our data provide the

  12. Photolysis of H2O-H2O2 Mixtures: The Destruction of H2O2

    NASA Technical Reports Server (NTRS)

    Loeffler, M. J.; Fama, M.; Baragiola, R. A.; Carlson, R. W.

    2013-01-01

    We present laboratory results on the loss of H2O2 in solid H2O + H2O2 mixtures at temperatures between 21 and 145 K initiated by UV photolysis (193 nm). Using infrared spectroscopy and microbalance gravimetry, we measured the decrease of the 3.5 micrometer infrared absorption band during UV irradiation and obtained a photodestruction cross section that varies with temperature, being lowest at 70 K. We use our results, along with our previously measured H2O2 production rates via ionizing radiation and ion energy fluxes from the spacecraft to compare H2O2 creation and destruction at icy satellites by ions from their planetary magnetosphere and from solar UV photons. We conclude that, in many cases, H2O2 is not observed on icy satellite surfaces because the H2O2 photodestruction rate is much higher than the production rate via energetic particles, effectively keeping the H2O2 infrared signature at or below the noise level.

  13. Large hydrogen-bonded pre-nucleation (HSO4-)(H2SO4)m(H2O)k and (HSO4-)(NH3)(H2SO4)m(H2O)k clusters in the earth's atmosphere.

    PubMed

    Herb, Jason; Xu, Yisheng; Yu, Fangqun; Nadykto, A B

    2013-01-10

    The importance of pre-nucleation cluster stability as the key parameter controlling nucleation of atmospheric airborne ions is well-established. In this Article, large ternary ionic (HSO(4)(-))(H(2)SO(4))(m)(NH(3))(H(2)O)(n) clusters have been studied using Density Functional Theory (DFT) and composite ab initio methods. Twenty classes of clusters have been investigated, and thermochemical properties of common atmospheric (HSO(4)(-))(H(2)SO(4))(m)(NH(3))(0)(H(2)O)(k) and (HSO(4)(-))(H(2)SO(4))(m)(NH(3))(1)(H(2)O)(n) clusters (with m, k, and n up to 3) have been obtained. A large amount of new themochemical and structural data ready-to-use for constraining kinetic nucleation models has been reported. We have performed a comprehensive thermochemical analysis of the obtained data and have investigated the impacts of ammonia and negatively charged bisulfate ion on stability of binary clusters in some detail. The comparison of theoretical predictions and experiments shows that the PW91PW91/6-311++G(3df,3pd) results are in very good agreement with both experimental data and high level ab initio CCSD(T)/CBS values and suggest that the PW91PW91/6-311++G(3df,3pd) method is a viable alternative to higher level ab initio methods in studying large pre-nucleation clusters, for which the higher level computations are prohibitively expensive. The uncertainties in both theory and experiments have been investigated, and possible ways of their reduction have been proposed.

  14. Mathematical modeling of the biodegradation of residual hydrocarbon in a variably-saturated sand column.

    PubMed

    Geng, Xiaolong; Boufadel, Michel C; Wrenn, Brian

    2013-04-01

    The biodegradation of heptadecane in five sand columns was modeled using a multiplicative Monod approach. Each column contained 1.0 kg of sand and 2 g of heptadecane, and was supplied with an artificial seawater solution containing nutrients at a flow rate that resulted in unsaturated flow through the column. All nutrients were provided in excess with the exception of nitrate whose influent concentration was 0.1, 0.5, 1.0, 2.5, or 5.0 mg N/L. The experiment was run around 912 h until no measurable oxygen consumption or CO2 production was observed. The residual mass of heptadecane was measured at the end of the experiments and the biodegradation was monitored based on oxygen consumption and CO2 production. Biodegradation kinetic parameters were estimated by fitting the model to experimental data of oxygen, CO2, and residual mass of heptadecane obtained from the two columns having influent nitrate-N concentration of 0.5 and 2.5 mg/L. Noting that the oxygen and CO2 measurements leveled off at around 450 h, we fitted the model to these data for that range. The estimated parameters fell in within the range reported in the literature. In particular, the half-saturation constant for nitrate utilization, [Formula: see text], was estimated to be 0.45 mg N/L, and the yield coefficient was found to be 0.15 mg biomass/mg heptadecane. Using these values, the rest of experimental data from the five columns was predicted, and the model agreed with the observations. There were some consistent discrepancies at large times between the model simulation and observed data in the cases with higher nitrate concentration. One plausible explanation for these differences could be limitation of biodegradation by reduction of the heptadecane-water interfacial area in these columns while the model uses a constant interfacial area.

  15. A silica monolithic column prepared by the sol-gel process for enantiomeric separation by capillary electrochromatography.

    PubMed

    Kang, Jingwu; Wistuba, Dorothee; Schurig, Volker

    2002-04-01

    A method for the preparation of a silica monolithic capillary electrochromatography (CEC) column for the separation of enantiomers has been developed. The porous silica monolith was fabricated inside a fused-silica capillary column by using the sol-gel process. After gelation for 24 h, hydrothermal treatment at 100 degrees C for 24 h was performed to prevent the sol-gel matrix from cracking. The prepared monolith was then coated with Chirasil-beta-Dex which represents a chiral polymer prepared by grafting permethyl-beta-cyclodextrin to polymethylsiloxane with an octamethylene spacer. Immobilization of Chirasil-beta-Dex was performed by heat treatment at 120 degrees C for 48 h to give a nonextractable coating. The column performance was evaluated by using racemic hexobarbital as a model compound. The efficiency of 9.2 x 10(4) theoretical plates/m for the first eluted enantiomer of hexobarbital was obtained at an optimal flow rate of the mobile phase. The effect of mobile phase composition on enantiomeric separation of hexobarbital was also investigated. The column proved to be stable for more than one hundreds of runs during a two-months period. The enantiomers of several neutral and negatively charged chiral compounds were baseline separated on this column.

  16. High-excitation OH and H2O Lines in Markarian 231: The Molecular Signatures of Compact Far-infrared Continuum Sources

    NASA Astrophysics Data System (ADS)

    González-Alfonso, Eduardo; Smith, Howard A.; Ashby, Matthew L. N.; Fischer, Jacqueline; Spinoglio, Luigi; Grundy, Timothy W.

    2008-03-01

    The ISO LWS far-infrared spectrum of the ultraluminous galaxy Mrk 231 shows OH and H2O lines in absorption from energy levels up to 300 K above the ground state, and emission in the [O I] 63 μm and [C II] 158 μm lines. Our analysis shows that OH and H2O are radiatively pumped by the far-infrared continuum emission of the galaxy. The absorptions in the high-excitation lines require high far-infrared radiation densities, allowing us to constrain the properties of the underlying continuum source. The bulk of the far-infrared continuum arises from a warm (Tdust = 70-100 K), optically thick (τ100μ m = 1-2) medium of effective diameter 200-400 pc. In our best-fit model of total luminosity LIR, the observed OH and H2O high-lying lines arise from a luminous (L/LIR ~ 0.56) region with radius ~100 pc. The high surface brightness of this component suggests that its infrared emission is dominated by the AGN. The derived column densities N(OH) gtrsim 1017 cm-2 and N(H2O) gtrsim 6 × 1016 cm-2 may indicate X-ray dominated region (XDR) chemistry, although significant starburst chemistry cannot be ruled out. The lower-lying OH, [C II] 158 μm, and [O I] 63 μm lines arise from a more extended (~350 pc) starburst region. We show that the [C II] deficit in Mrk 231 is compatible with a high average abundance of C+ because of an extreme overall luminosity to gas mass ratio. Therefore, a [C II] deficit may indicate a significant contribution to the luminosity by an AGN, and/or by extremely efficient star formation. Based on observations with the Infrared Space Observatory, an ESA project with instruments funded by ESA Member States (especially the principal investigator countries: France, Germany, Netherlands, and the United Kingdom) and with the participation of ISAS and NASA.

  17. Effect of the hydration temperature on the microstructure of Class G cement: C-S-H composition and density

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bahafid, Sara; Ghabezloo, Siavash; Duc, Myriam

    Curing temperature has a significant influence on cement paste microstructure and the properties of its principal hydrate C-S-H. In this paper, the effect of the hydration temperature in the range of 7 °C to 90 °C on the microstructure of a class G oil-well cement is studied. This is done by combining various experimental methods, including X-ray diffraction associated with the Rietveld analysis, thermo-gravimetric analysis, mercury intrusion porosimetry and porosity evaluation by drying. The experimental results show an increase of the capillary porosity and a decrease of the gel porosity by increasing the hydration temperature. This is attributed to amore » decrease of the C-S-H intrinsic porosity and a corresponding increase of the C-S-H density for higher curing temperatures. The experimental results are used in a simple analysis method to evaluate the density of C-S-H, as well as its C/S ratio and H/S ratio in dry and saturated conditions. The evaluated C-S-H density varies from 1.88 g/cm{sup 3} at 7 °C to 2.10 g/cm{sup 3} at 90 °C. The results also show a decrease of molar C/S ratio with increasing hydration temperature from 1.93 at 7 °C to 1.71 at 90 °C and of the H/S ratio from 5.1 at 7 °C to 2.66 at 90 °C.« less

  18. GIANT METREWAVE RADIO TELESCOPE DETECTION OF TWO NEW H I 21 cm ABSORBERS AT z ≈ 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kanekar, N., E-mail: nkanekar@ncra.tifr.res.in

    2014-12-20

    I report the detection of H I 21 cm absorption in two high column density damped Lyα absorbers (DLAs) at z ≈ 2 using new wide-band 250-500 MHz receivers on board the Giant Metrewave Radio Telescope. The integrated H I 21 cm optical depths are 0.85 ± 0.16 km s{sup –1} (TXS1755+578) and 2.95 ± 0.15 km s{sup –1} (TXS1850+402). For the z = 1.9698 DLA toward TXS1755+578, the difference in H I 21 cm and C I profiles and the weakness of the radio core suggest that the H I 21cm absorption arises toward radio components in the jet,more » and that the optical and radio sightlines are not the same. This precludes an estimate of the DLA spin temperature. For the z = 1.9888 DLA toward TXS1850+402, the absorber covering factor is likely to be close to unity, as the background source is extremely compact, with the entire 5 GHz emission arising from a region of ≤ 1.4 mas in size. This yields a DLA spin temperature of T{sub s} = (372 ± 18) × (f/1.0) K, lower than typical T{sub s} values in high-z DLAs. This low spin temperature and the relatively high metallicity of the z = 1.9888 DLA ([Zn/H] =(– 0.68 ± 0.04)) are consistent with the anti-correlation between metallicity and spin temperature that has been found earlier in damped Lyα systems.« less

  19. Hydrogen bonding in goldichite, KFe(SO4)2ṡ4H2O: structure refinement

    NASA Astrophysics Data System (ADS)

    Yang, Zhuming; Giester, Gerald

    2018-02-01

    The crystal structure of goldichite KFe(SO4)2ṡ4H2O was determined on a single crystal from the Baiyinchang copper deposit, Gansu, China. [ P121/ c1, a = 10.395(2), b = 10.475(2), c = 9.0875(18) Å, β = 101.65(3)°, V = 969.1(3) Å3, Z = 4]. All non-H atoms were refined with anisotropic displacement parameters and positions of H-atoms were determined by difference Fourier methods and refined from X-ray diffraction data. The crystal structure of goldichite consists of corrugated sheets parallel to the (100) plane by sharing corners between FeO6 octahedra and SO4 tetrahedra. The interstitial potassium atom exhibits a [KO7(H2O)2] nine-fold coordination, which shares edges to form a column parallel to the c-axis and to build a slab with the corrugated sheet. These slabs are linked in the [100] direction through a network of hydrogen bonds. Three types of hydrogen bonds involve links of slabs: Ow(3)-H(3B)···O(1), Ow(6)-H(6B)···O(11) and Ow(9)-H(9B)···O(11). The FTIR spectrum of goldichite shows a strong absorption between 3384 cm-1 and 3592 cm-1, which is in accordance with the O-H···O distances derived from structure data.

  20. Fluorite transition metal hydride induced destabilization of the MgH2 system in MgH2/TMH2 multilayers ( TM=Sc , Ti, V, Cr, Y, Zr, Nb, La, Hf)

    NASA Astrophysics Data System (ADS)

    Tao, S. X.; Notten, P. H. L.; van Santen, R. A.; Jansen, A. P. J.

    2010-09-01

    The structural changes in MgH2 induced by contact with fluorite transition metal hydrides ( TMH2 , TM=Sc , Ti, V, Cr, Y, Zr, Nb, La, Hf) have been studied using density-functional theory calculations. Models of MgH2(rutile)/TiH2(fluorite) and MgH2(fluorite)/TiH2(fluorite) multilayers with different Mg:TM ratios have been designed. With a fixed thickness of the TMH2 layer, structure transformation of MgH2 from rutile to fluorite occurs with a decrease in thickness of the MgH2 layer. The hydrogen desorption energy from the fluorite MgH2 layer in the multilayers is significantly lower than that of the bulk rutile MgH2 . The structural deformation of the MgH2 layer due to the strain induced by TMH2 is found to be responsible for the destabilization of the Mg-H bond: the more structural deformation, the more destabilization of the Mg-H. Our results provide an important insight for the development of new hydrogen-storage materials with desirable thermodynamic properties.

  1. The OH rotational population and photodissociation of H{sub 2}O in DG Tauri

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Carr, John S.; Najita, Joan R.

    2014-06-10

    We analyze the OH rotational emission in the Spitzer Space Telescope mid-infrared spectrum of the T Tauri star DG Tau. OH is observed in emission from upper level energies of 1900 K to 28,000 K. The rotational diagram cannot be fit with any single combination of temperature and column density and has slopes that correspond to excitation temperatures ranging from 200 K to 6000 K. The relative Λ-doublet population within each rotational level is not equal, showing that the OH population is not in thermal equilibrium. The symmetric Λ-doublet state is preferred in all rotational states, with an average ofmore » 0.5 for the population ratio of the anti-symmetric to symmetric state. We show that the population distribution of the high rotational lines and the Λ-doublet ratio are consistent with the formation of OH following the photo-dissociation of H{sub 2}O by FUV photons in the second absorption band of water (∼1150-1400 Å), which includes Lyα. Other processes, OH formation from either photo-dissociation of water in the first absorption band (1450-1900 Å) or the reaction O({sup 1} D) + H{sub 2}, or collisional excitation, cannot explain the observed emission in the high rotational states but could potentially contribute to the population of lower rotational levels. These results demonstrate that the photodissociation of water is active in DG Tau and support the idea that the hot rotational OH emission commonly observed in Classical T Tauri stars is due to the dissociation of H{sub 2}O by FUV radiation.« less

  2. Inhibitory effects of acidic pH and confounding effects of moisture content on methane biofiltration.

    PubMed

    Barzgar, Sonya; Hettiaratchi, Joseph Patrick; Pearse, Lauretta; Kumar, Sunil

    2017-12-01

    This study focussed on evaluating the effect of hydrogen sulfide (H 2 S) on biological oxidation of waste methane (CH 4 ) gas in compost biofilters, Batch experiments were conducted to determine the dependency of maximum methane oxidation rate (V max ) on two main factors; pH and moisture content, as well as their interaction effects. The maximum V max was observed at a pH of 7.2 with decreasing V max values observed with decreasing pH, irrespective of moisture content. Flow-through columns operated at a pH of 4.5 oxidized CH 4 at a flux rate of 53g/m 2 /d compared to 146g/m 2 /d in columns operated at neutral pH. No oxidation activity was observed for columns operated at pH 2.5, and DNA sequencing analysis of samples led to the conclusion that highly acidic conditions were responsible for inhibiting the ability of methanotrophs to oxidize CH 4 . Biofilter columns operated at pH 2.5 contained only 2% methanotrophs (type I) out of the total microbial population, compared to 55% in columns operated at pH 7.5. Overall, changes in the population of methanotrophs with acidification within the biofilters compromised its capacity to oxidize CH 4 which demonstrated that a compost biofilter could not operate efficiently in the presence of high levels of H 2 S. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. An experimental study of basaltic glass-H2O-CO2 interaction at 22 and 50 ° C: Implications for subsurface storage of CO2

    NASA Astrophysics Data System (ADS)

    Galeczka, Iwona; Wolff-Boenisch, Domenik; Oelkers, Eric H.; Gislason, Sigurdur R.

    2014-05-01

    A novel high pressure column flow reactor (HPCFR) was used to investigate the evolution of fluid chemistry along a 2.3 meter flow path during 37-104 days of pure water- and CO2-charged water- (0.3 M CO2(aq)) basaltic glass interaction experiments at 22 and 50 ° C. The scale of the HPCFR, the ability to sample a reactive fluid at discrete spatial intervals under pressure and the possibility to measure the dissolved inorganic carbon and pH in situ all render the HPCFR unique in comparison with other reactors constructed for studies of CO2-charged water-rock interaction. During the pure water-basaltic glass interaction experiment, the pH of the injected water evolved rapidly from 6.7 to 9-9.5 and most of the dissolved iron was consumed by secondary mineral formation, similar to natural basaltic groundwater systems. In contrast to natural systems, however, the dissolved aluminium concentration remained relatively high along the entire flow path. The reactive fluid was undersaturated with respect to basaltic glass and carbonate minerals, but supersaturated with respect to zeolites, clays, and Fe hydroxides. Basaltic glass dissolution in the CO2-charged water was closer to stoichiometry than in pure water. The mobility of metals increased significantly in the reactive fluid and the concentration of some metals, including Mn, Fe, Cr, Al, and As exceeded the WHO (World Health Organisation) allowable drinking water limits. Iron was mobile and the aqueous Fe2+/Fe3+ ratio increased along the flow path. Basaltic glass dissolution in the CO2-charged water did not overcome the pH buffer capacity of the fluid. The pH rose only from an initial pH of 3.4 to 4.5 along the first 18.5 cm of the column, then remained constant during the remaining 2.1 meters of the flow path. Increasing the temperature of the CO2-charged fluid from 22 to 50 ° C increased the relative amount of dissolved divalent iron along the flow path. After a significant initial increase along the first metre of

  4. THE ALFALFA H I ABSORPTION PILOT SURVEY: A WIDE-AREA BLIND DAMPED Ly{alpha} SYSTEM SURVEY OF THE LOCAL UNIVERSE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Darling, Jeremy; Macdonald, Erin P.; Haynes, Martha P.

    2011-11-20

    We present the results of a pilot survey for neutral hydrogen (H I) 21 cm absorption in the Arecibo Legacy Fast Arecibo L-Band Feed Array (ALFALFA) Survey. This project is a wide-area 'blind' search for H I absorption in the local universe, spanning -650 km s{sup -1} < cz < 17, 500 km s{sup -1} and covering 517.0 deg{sup 2} (7% of the full ALFALFA survey). The survey is sensitive to H I absorption lines stronger than 7.7 mJy (8983 radio sources) and is 90% complete for lines stronger than 11.0 mJy (7296 sources). The total redshift interval sensitive tomore » all damped Ly{alpha} (DLA) systems (N{sub H{sub i}}{>=}2 Multiplication-Sign 10{sup 20} cm{sup -2}) is {Delta}z = 7.0 (129 objects, assuming T{sub s} = 100 K and covering fraction unity); for super-DLAs (N{sub H{sub i}}{>=}2 Multiplication-Sign 10{sup 21} cm{sup -2}) it is {Delta}z = 128.2 (2353 objects). We re-detect the intrinsic H I absorption line in UGC 6081 but detect no intervening absorption line systems. We compute a 95% confidence upper limit on the column density frequency distribution function f(N{sub H{sub i}},X) spanning four orders of magnitude in column density, 10{sup 19} (T{sub s} /100 K) (1/f) cm{sup -2}H{sub I}}<10{sup 23}(Ts/100 K)(1/f) cm{sup -2}, that is consistent with previous redshifted optical DLA surveys and the aggregate H I 21 cm emission in the local universe. The detection rate is in agreement with extant observations. This pilot survey suggests that an absorption line search of the complete ALFALFA survey-or any higher redshift, larger bandwidth, or more sensitive survey, such as those planned for Square Kilometer Array pathfinders or a low-frequency lunar array-will either make numerous detections or will set a strong statistical lower limit on the typical spin temperature of neutral hydrogen gas.« less

  5. Superconducting order from disorder in 2H-TaSe 2-xS x

    DOE PAGES

    Li, Lijun; Deng, Xiaoyu; Wang, Zhen; ...

    2017-02-24

    Here, we report on the emergence of robust superconducting order in single crystal alloys of TaSe 2$ -$x S x (0 ≤ × ≤2). The critical temperature of the alloy is surprisingly higher than that of the two end compounds TaSe2 and TaS2. The evolution of superconducting critical temperature T c(x) correlates with the full width at half maximum of the Bragg peaks and with the linear term of the high-temperature resistivity. The conductivity of the crystals near the middle of the alloy series is higher or similar than that of either one of the end members 2H-TaSe 2 and/ormore » 2H-TaS 2. It is known that in these materials superconductivity is in close competition with charge density wave order. We interpret our experimental findings in a picture where disorder tilts this balance in favor of superconductivity by destroying the charge density wave order.« less

  6. 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

    NASA Astrophysics Data System (ADS)

    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.

  7. Treatment of mature landfill leachate using hybrid processes of hydrogen peroxide and adsorption in an activated carbon fixed bed column.

    PubMed

    Eljaiek-Urzola, Monica; Guardiola-Meza, Luis; Ghafoori, Samira; Mehrvar, Mehrab

    2018-02-23

    In this study, the treatment of mature landfill leachate is evaluated by oxidation with hydrogen peroxide (H 2 O 2 ) combined with adsorption in a granular activated carbon (GAC) fixed bed column to determinate the increase in the biodegradability index, the reduction of chemical oxygen demand (COD) as well as the increase in the useful life of the GAC bed. The sample leachate from Loma de Los Cocos Landfill (Cartagena de Indias, Colombia) has a very low biodegradability ratio ranging from 0.034 to 0.048 that makes it difficult to meet the required water quality level according to the regulations. The COD removal is initially monitored in the H 2 O 2 oxidation treatment process. The operating conditions such as pH, H 2 O 2 dosage, and the reaction time are optimized in this process based on the percentage of COD removal. A maximum COD removal of 29.9% is achieved at an initial H 2 O 2 concentration of 5000 mg L -1 with a pH of 8 and the reaction time of 60 min. The hybrid treatment by H 2 O 2 -GAC achieved 97.3% COD removal and 116% increase in the biodegradability ratio (from 0.072 to 0.134) while this ratio was increased by 6.5% with H 2 O 2 alone. Moreover, the useful life of the GAC bed is increased from 45 min in the column fed with raw leachate to 170 min in the column fed with pretreated leachate and 5000 mg L -1 of H 2 O 2 at pH of 8 that subsequently increased the activated carbon adsorption capacity. An adsorption model for leachate treated with H 2 O 2 is also developed.

  8. SIGNIFICANT ENHANCEMENT OF H{sub 2} FORMATION IN DISK GALAXIES UNDER STRONG RAM PRESSURE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Henderson, Benjamin; Bekki, Kenji

    We show for the first time that H{sub 2} formation on dust grains can be enhanced in disk galaxies under strong ram pressure (RP). We numerically investigate how the time evolution of H i and H{sub 2} components in disk galaxies orbiting a group/cluster of galaxies can be influenced by the hydrodynamical interaction between the gaseous components of the galaxies and the hot intracluster medium. We find that compression of H i caused by RP increases H{sub 2} formation in disk galaxies before RP rapidly strips H i, cutting off the fuel supply and causing a drop in H{sub 2}more » density. We also find that the level of this H{sub 2} formation enhancement in a disk galaxy under RP depends on the mass of its host cluster dark matter halo, the initial positions and velocities of the disk galaxy, and the disk inclination angle with respect to the orbital plane. We demonstrate that dust growth is a key factor in the evolution of the H i and H{sub 2} mass in disk galaxies under strong RP. We discuss how the correlation between H{sub 2} fractions and surface gas densities of disk galaxies evolves with time in the galaxies under RP. We also discuss whether galaxy-wide star formation rates (SFRs) in cluster disk galaxies can be enhanced by RP if the SFRs depend on H{sub 2} densities.« less

  9. Distillation Column Flooding Predictor

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    George E. Dzyacky

    2010-11-23

    The Flooding Predictor™ is a patented advanced control technology proven in research at the Separations Research Program, University of Texas at Austin, to increase distillation column throughput by over 6%, while also increasing energy efficiency by 10%. The research was conducted under a U. S. Department of Energy Cooperative Agreement awarded to George Dzyacky of 2ndpoint, LLC. The Flooding Predictor™ works by detecting the incipient flood point and controlling the column closer to its actual hydraulic limit than historical practices have allowed. Further, the technology uses existing column instrumentation, meaning no additional refining infrastructure is required. Refiners often push distillationmore » columns to maximize throughput, improve separation, or simply to achieve day-to-day optimization. Attempting to achieve such operating objectives is a tricky undertaking that can result in flooding. Operators and advanced control strategies alike rely on the conventional use of delta-pressure instrumentation to approximate the column’s approach to flood. But column delta-pressure is more an inference of the column’s approach to flood than it is an actual measurement of it. As a consequence, delta pressure limits are established conservatively in order to operate in a regime where the column is never expected to flood. As a result, there is much “left on the table” when operating in such a regime, i.e. the capacity difference between controlling the column to an upper delta-pressure limit and controlling it to the actual hydraulic limit. The Flooding Predictor™, an innovative pattern recognition technology, controls columns at their actual hydraulic limit, which research shows leads to a throughput increase of over 6%. Controlling closer to the hydraulic limit also permits operation in a sweet spot of increased energy-efficiency. In this region of increased column loading, the Flooding Predictor is able to exploit the benefits of higher liquid

  10. Computer simulation of two electrophoretic columns coupled for isoelectric focusing in simple buffers

    NASA Technical Reports Server (NTRS)

    Tsai, Amos; Mosher, Richard A.; Bier, Milan

    1986-01-01

    Computer simulation is used to analyze a system of two electrophoretic columns coupled by mixing the anolyte of one with the catholyte of the other. A mathematical model is presented which is used to predict the pH gradients formed by monovalent buffers in this system, when the currents in the columns are unequal. In the column with the higher current a pH gradient is created which increases from anode to cathode and is potentially useful for isoelectric focusing. The breadth of this gradient is dependent upon the ratio of the currents. The function of the second column is the compensation of buffer migration which occurs in the first column, thereby maintaining constant electrolyte composition. The effects of buffer pKs and mobilities are evaluated.

  11. Separation and purification of fructooligosaccharides on a zeolite fixed-bed column.

    PubMed

    Kuhn, Raquel Cristine; Mazutti, Marcio Antonio; Maugeri Filho, Francisco

    2014-04-01

    Fructooligosaccharides (FOS), a well-known prebiotic product, are obtained by enzymatic synthesis and consist of a mixture of mono- and disaccharides. In this work, a methodology for their separation and purification was developed using a zeolite fixed-bed column. The effects of column temperature (40-60°C), eluent flow rate (0.10-0.14 mL/min), injected to bed volume percent ratio (2.6-5.1%), and ethanol concentration in the eluent (40-60%, v/v) were investigated using a fractionary factorial design (2(4-1)), having the separation efficiency and purity as target responses. Additional experiments were performed as well, where the temperature and ethanol concentration were studied in a central composite design (2(2)). In this work, the zeolite fixed-bed column was shown to be a good alternative for FOS purification, allowing a FOS purity of 90% and separation efficiency of 6.86 between FOS and glucose, using an eluent at 45°C with 60% ethanol concentration. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Satellite-Based Tropospheric NO2 Column Trends in the Last 10 Years Over Mexican Urban Areas Measured by the Ozone Monitoring Instrument

    NASA Astrophysics Data System (ADS)

    Rivera, C. I.; Stremme, W.; Grutter, M.

    2015-12-01

    Population density and economic activities in urban agglomerations have drastically increased in many cities in Mexico during the last decade. Several factors are responsible for increased urbanization such as a shift of people from rural to urban areas while looking for better education, services and job opportunities as well as the natural growth of the urban areas themselves. Urbanization can create great social, economic and environmental pressures and changes which can easily be observed in most urban agglomerations in the world. In this study, we have focused on analyzing tropospheric NO2 (nitrogen dioxide) column trends over Mexican urban areas that have a population of at least one million inhabitants according to the latest 2010 population census. Differential Optical Absorption Spectroscopy (DOAS) measurements of NO2 conducted by the space-borne Ozone Monitoring Instrument (OMI) on board the Aura satellite between 2005 and 2014 have been used for this analysis. This dataset has allowed us to obtain a satellite-based 10-year tropospheric NO2 column trend over the most populated Mexican cities which include the dominating metropolitan area of Mexico City with more than twenty million inhabitants as well as ten other Mexican cities with a population ranging between one to five million inhabitants with a wide range of activities (commercial, agricultural or heavily industrialized) as well as two important border crossings. Distribution maps of tropospheric NO2 columns above the studied urban agglomerations were reconstructed from the analyzed OMI dataset, allowing to identify areas of interest due to clear NO2 enhancements inside these urban regions.

  13. Densities of aqueous blended amines

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hsu, C.H.; Li, M.H.

    1997-05-01

    Solutions of alkanolamines are an industrially important class of compounds used in the natural gas and synthetic ammonia industries and petroleum chemical plants for the removal of CO{sub 2} and H{sub 2}S from gas streams. The densities of aqueous mixtures of diethanolamine (DEA) + N-methyldiethanolamine (MDEA) + water, DEA + 2-amino-2-methyl-1-propanol (AMP) + water, and monoethanolamine (MEA) + 2-piperidineethanol (2-PE) + water were measured from 30 C to 80 C. A Redlich-Kister equation of the excess volume was applied to represent the density. Based on the available density data for five ternary systems: MEA + MDEA + H{sub 2}O, MEAmore » + AMP + H{sub 2}O, DEA + MDEA + H{sub 2}O, DEA + AMP + H{sub 2}O, and MEA + 2-PE + H{sub 2}O, a generalized set of binary parameters were determined. The density calculations show quite satisfactory results. The overall average absolute percent deviation is about 0.04% for a total of 686 data points.« less

  14. Column-Integrated CO2 Concentrations Measured by MFLL During ACT-America Flight Campaigns

    NASA Astrophysics Data System (ADS)

    Erxleben, W. H.; McGregor, D.; Kooi, S. A.; Campbell, J.; Dobler, J. T.; Pal, S.; Lin, B.; Browell, E. V.; O'Dell, C.; DiGangi, J. P.; Bell, E.

    2017-12-01

    The Multifunction Fiber Laser Lidar (MFLL), designed, built, and operated by Harris Space and Intelligence Systems, is a key instrument aboard the NASA Earth Venture Suborbital mission known as Atmospheric Carbon and Transport - America (ACT-America). The mission's goals include improving estimates of atmospheric transport and fluxes of CO2 and CH4, and evaluating sensitivity of the OCO-2 satellite to regional CO2 variability. ACT-America includes five flight campaigns on two NASA aircraft between 2016 and 2019. The MFLL instrument has been under evaluation in collaboration with NASA Langley Research Center since 2005 and installed on one of NASA's C-130s for ACT-America campaigns since 2016. MFLL measures the integrated path differential absorption in the atmospheric column between the airplane and the ground caused by atmospheric gases (primarily CO2 and H2O). From the differential absorption, the integrated differential optical depth is obtained. The waveforms used to encode and identify the individual wavelengths of light also enable the instrument to determine range to the surface. The measured range and optical depth, together with spectroscopic and meteorological information, enable the column-integrated concentration of CO2 to be retrieved. Through the first two flight campaigns, MFLL has performed 47 flight sorties totaling 170 hours with zero critical failures. Improvements were implemented after the first campaign to reduce harmonic crosstalk and to eliminate both a short-period etalon effect and a longer-period oscillation. MFLL will be flying on the third ACT-America campaign in Fall 2017. We will present a brief review of the measurement method, the instrument performance, and the improvements made over the course of ACT-America. We will also present the most recent results from the first two campaigns covering various altitudes and scenarios: frontal crossings, fair-weather patterns, and OCO-2 underflights. These results will be compared with model

  15. CO2 variability from in situ and vertical column measurements in Mexico City

    NASA Astrophysics Data System (ADS)

    Baylon, J. L.; Grutter, M.; Stremme, W.; Bezanilla, A.; Plaza, E.

    2014-12-01

    UNAM started a program to measure, among many other atmospheric parameters, greenhouse gas concentrations at six stations in the Mexican territory as part of the "Red Universitaria de Observatorios Atmosfericos", RUOA (www.ruoa.unam.mx). In this work we present recent time series of CO2 measured at the station located in the university campus in Mexico City, and compare them to total vertical columns of this gas measured at the same location. In situ measurements are continuously carried out with a cavity ring-down spectrometer (Picarro Inc., G2401) since July 2014 and the columns are retrieved from solar absorption measurements taken with a Fourier transform infrared spectrometer (Bruker, Vertex 80) when conditions allow. The retrieval method is described and results of the comparison of both techniques and a detailed analysis of the variability of this important greenhouse gas is presented. Simultaneous surface and column CO2 data are useful to constrain models and estimate emissions.

  16. Effects of the plasma-facing materials on the negative ion Hdensity in an ECR (2.45 GHz) plasma

    NASA Astrophysics Data System (ADS)

    Bentounes, J.; Béchu, S.; Biggins, F.; Michau, A.; Gavilan, L.; Menu, J.; Bonny, L.; Fombaron, D.; Bès, A.; Lebedev, Yu A.; Shakhatov, V. A.; Svarnas, P.; Hassaine, T.; Lemaire, J. L.; Lacoste, A.

    2018-05-01

    Within the framework of fundamental research, the present work focuses on the role of surface material in the production of H ‑ negative ion, with a potential application of designing cesium-free H ‑ negative ion sources oriented to fusion application. It is widely accepted that the main reaction leading to H ‑ production, in the plasma volume, is the dissociative attachment of low-energy electrons (T e ≤ 1 eV) on highly ro-vibrationally excited hydrogen molecules. In parallel with other mechanisms, the density of these excited molecules may be enhanced by means of the recombinative desorption, i.e. the interaction between surface absorbed atoms with other atoms (surface adsorbed or not) through the path {H}{{ads}}+{H}{{gas}/{{ads}}}\\to {H}2{(v,J)}{{gas}}+{{Δ }}E. Accordingly, a systematic study on the role played by the surface in this reaction, with respect to the production of H ‑ ion in the plasma volume, is here performed. Thus, tantalum and tungsten (already known as H ‑ enhancers) and quartz (inert surface) materials are employed as inner surfaces of a test bench chamber. The plasma inside the chamber is produced by electron cyclotron resonance (ECR) driving and it is characterized with conventional electrostatic probes, laser photodetachment, and emission and absorption spectroscopy. Two different positions (close to and away from the ECR driving zone) are investigated under various conditions of pressure and power. The experimental results are supported by numerical data generated by a 1D model. The latter couples continuity and electron energy balance equations in the presence of magnetic field, and incorporates vibrational kinetics, H2 molecular reactions, H electronically excited states and ground-state species kinetics. In the light of this study, recombinative desorption has been evidenced as the most probable mechanism, among others, responsible for an enhancement by a factor of about 3.4, at 1.6 Pa and 175 W of microwave power, in the

  17. Tropospheric Nitrogen Dioxide Column Density Trends Seen from the 10-year Record of OMI Measurements over East Asia

    NASA Astrophysics Data System (ADS)

    Irie, H.; Muto, T.; Itahashi, S.; Kurokawa, J. I.

    2015-12-01

    The Ozone Monitoring Instrument (OMI) aboard the Aura satellite recorded the 10-year (2005-2014) of tropospheric nitrogen dioxide (NO2) vertical column density (VCD) data. The data set taken over East Asia was analyzed to estimate linear trends on national and grid bases for two periods of 2005-2011 and 2011-2014. The most striking features are leveling-off or decreasing trends seen in NO2 VCDs over China for 2011-2014 after continuous increases for 2005-2011. In particular, a significant reduction by ~14% occurred from 2013 through 2014, attaining to the level of 2009. The grid-basis trend analysis implies that the turnaround seen in the trends occurred on a province or larger spatial scale and was likely due mainly to the technical improvement such as the widespread use of de-NOx units. Another prominent features are seen in Japan, where NO2 VCDs decreased at a rate of ~4% per year from 2005 to 2011. The rate was almost unchanged between the two periods 2005-2011 and 2011-2014, while the significant power substitution of thermal power generation for the nuclear power generation took place in Japan after 2011, when a massive earthquake occurred off the Pacific coast of northern Japan. This reflects a less contribution of NOx emissions from the power plant sector than that from the transport sector in the Pacific Belt Zone lying over metropolitan areas.

  18. Superconducting and charge density wave transition in single crystalline LaPt2Si2

    NASA Astrophysics Data System (ADS)

    Gupta, Ritu; Dhar, S. K.; Thamizhavel, A.; Rajeev, K. P.; Hossain, Z.

    2017-06-01

    We present results of our comprehensive studies on single crystalline LaPt2Si2. Pronounced anomaly in electrical resistivity and heat capacity confirms the bulk nature of superconductivity (SC) and charge density wave (CDW) transition in the single crystals. While the charge density wave transition temperature is lower, the superconducting transition temperature is higher in single crystal compared to the polycrystalline sample. This result confirms the competing nature of CDW and SC. Another important finding is the anomalous temperature dependence of upper critical field H C2(T). We also report the anisotropy in the transport and magnetic measurements of the single crystal.

  19. U2 8 + -intensity record applying a H2 -gas stripper cell

    NASA Astrophysics Data System (ADS)

    Barth, Winfried; Adonin, Aleksey; Düllmann, Christoph E.; Heilmann, Manuel; Hollinger, Ralph; Jäger, Egon; Khuyagbaatar, Jadambaa; Krier, Joerg; Scharrer, Paul; Vormann, Hartmut; Yakushev, Alexander

    2015-04-01

    To meet the Facility for Antiproton and Ion Research science requirements higher beam intensity has to be achieved in the present GSI-accelerator complex. For this an advanced upgrade program for the UNILAC is ongoing. Stripping is a key technology for all heavy ion accelerators. For this an extensive research and development program was carried out to optimize for high brilliance heavy ion operation. After upgrade of the supersonic N2 -gas jet (2007), implementation of high current foil stripping (2011) and preliminary investigation of H2 -gas jet operation (2012), recently (2014) a new H2 -gas cell using a pulsed gas regime synchronized with arrival of the beam pulse has been developed. An obviously enhanced stripper gas density as well as a simultaneously reduced gas load for the pumping system result in an increased stripping efficiency, while the beam emittance remains the same. A new record intensity (7.8 emA) for 238U2 8 + beams at 1.4 MeV /u has been achieved applying the pulsed high density H2 stripper target to a high intensity 238U4 + beam from the VARIS ion source with a newly developed extraction system. The experimental results are presented in detail.

  20. Raman and Brillouin scattering studies of bulk 2H-WSe2

    NASA Astrophysics Data System (ADS)

    Akintola, K.; Andrews, G. T.; Curnoe, S. H.; Koehler, M. R.; Keppens, V.

    2015-10-01

    Raman and Brillouin spectroscopy were used to probe optic and acoustic phonons in bulk 2H-WSe2. Raman spectra collected under different polarization conditions allowed assignment of spectral peaks to various first- and second-order processes. In contrast to some previous studies, a Raman peak at  ˜259 cm-1was found not to be due to the A1g mode but to a second-order process involving phonons at either the M or K point of the Brillouin zone. Resonance effects due to excitons were also observed in the Raman spectra. Brillouin spectra of 2H-WSe2 contain a single peak doublet arising from a Rayleigh surface mode propagating with a velocity of 1340+/- 20 m s-1. This value is comparable to that estimated from Density Functional Theory calculations and also to those for the transition metal diselenides 2H-TaSe2 and 2H-NbSe2. Unlike these two materials, however, peaks arising from scattering via the elasto-optic mechanism were not observed in Brillouin spectra of WSe2 despite its lower opacity.

  1. The interstellar N2 abundance towards HD 124314 from far-ultraviolet observations.

    PubMed

    Knauth, David C; Andersson, B-G; McCandliss, Stephan R; Moos, H Warren

    2004-06-10

    The abundance of interstellar molecular nitrogen (N2) is of considerable importance: models of steady-state gas-phase interstellar chemistry, together with millimetre-wavelength observations of interstellar N2H+ in dense molecular clouds predict that N2 should be the most abundant nitrogen-bearing molecule in the interstellar medium. Previous attempts to detect N2 absorption in the far-ultraviolet or infrared (ice features) have hitherto been unsuccessful. Here we report the detection of interstellar N2 at far-ultraviolet wavelengths towards the moderately reddened star HD 124314 in the constellation of Centaurus. The N2 column density is larger than expected from models of diffuse clouds and significantly smaller than expected for dense molecular clouds. Moreover, the N2 abundance does not explain the observed variations in the abundance of atomic nitrogen (N I) towards high-column-density sightlines, implying that the models of nitrogen chemistry in the interstellar medium are incomplete.

  2. A Layered Solution Crystal Growth Technique and the Crystal Structure of (C 6H 5C 2H 4NH 3) 2PbCl 4

    NASA Astrophysics Data System (ADS)

    Mitzi, D. B.

    1999-07-01

    Single crystals of the organic-inorganic perovskite (C6H5C2H4NH3)2PbCl4 have been grown at room temperature using a layered solution approach. The bottom solution layer, contained within a long straight tube, consists of PbCl2 dissolved in concentrated aqueous HCl. A less dense layer of methanol is carefully placed on top of the HCl/PbCl2 solution using a syringe. Finally, a stoichiometric quantity of C6H5C2H4NH2 (relative to the PbCl2) is added to the top of the column. As the layers slowly diffuse together, well-formed crystals of (C6H5C2H4NH3)2PbCl4 appear near the interface between the HCl/PbCl2 and C6H5C2H4NH2 solutions. The thick, plate-like crystals are well suited for X-ray crystallography studies. Room temperature intensity data were refined using a triclinic (Poverline1) cell (a=11.1463(3) Å, b=11.2181(3) Å, c=17.6966(5) Å, α= 99.173(1)°, β=104.634(1)°, γ=89.999(1)°, V=2111.8(1) Å3, Z=4, Rf/Rw=0.031/0.044). The organic-inorganic layered perovskite structure features well-ordered sheets of corner-sharing distorted PbCl6 octahedra separated by bilayers of phenethylammonium cations. Tilting and rotation of the PbCl6 octahedra within the perovskite sheets, coupled with organic cation ordering, leads to the unusual in-sheet 2ap×2ap superstructure, where ap is the lattice constant for the ideal cubic perovskite.

  3. Validation of GOME (ERS-2) NO2 vertical column data with ground-based measurements at Issyk-Kul (Kyrgyzstan)

    NASA Astrophysics Data System (ADS)

    Ionov, D.; Sinyakov, V.; Semenov, V.

    Starting from 1995 the global monitoring of atmospheric nitrogen dioxide is carried out by the measurements of nadir-viewing GOME spectrometer aboard ERS-2 satellite. Continuous validation of that data by means of comparisons with well-controlled ground-based measurements is important to ensure the quality of GOME data products and improve related retrieval algorithms. At the station of Issyk-Kul (Kyrgyzstan) the ground-based spectroscopic observations of NO2 vertical column have been started since 1983. The station is located on the northern shore of Issyk-Kul lake, 1650 meters above the sea level (42.6 N, 77.0 E). The site is equipped with grating spectrometer for the twilight measurements of zenith-scattered solar radiation in the visible range, and applies the DOAS technique to retrieve NO2 vertical column. It is included in the list of NDSC stations as a complementary one. The present study is focused on validation of GOME NO2 vertical column data, based on 8-year comparison with correlative ground-based measurements at Issyk-Kul station in 1996-2003. Within the investigation, an agreement of both individual and monthly averaged GOME measurements with corresponding twilight ground-based observations is examined. Such agreement is analyzed with respect to different conditions (season, sun elevation), temporal/spatial criteria choice (actual overpass location, correction for diurnal variation) and data processing (GDP version 2.7, 3.0). In addition, NO2 vertical columns were integrated from simultaneous stratospheric profile measurements by NASA HALOE and SAGE-II/III satellite instruments and introduced to explain the differences with ground-based observations. In particular cases, NO2 vertical profiles retrieved from the twilight ground-based measurements at Issuk-Kul were also included into comparison. Overall, summertime GOME NO2 vertical columns were found to be systematicaly lower than ground-based data. This work was supported by International Association

  4. Stratospheric column NO2 anomalies over Russia related to the 2011 Arctic ozone hole

    NASA Astrophysics Data System (ADS)

    Aheyeva, Viktoryia; Gruzdev, Aleksandr; Elokhov, Aleksandr; Grishaev, Mikhail; Salnikova, Natalia

    2013-04-01

    We analyze data of spectrometric measurements of stratospheric column NO2 contents at mid- and high-latitude stations of Zvenigorod (55.7°N, Moscow region), Tomsk (56.5°N, West Siberia), and Zhigansk (66.8°N, East Siberia). Measurements are done in visual spectral range with zenith-viewing spectrometers during morning and evening twilights. Alongside column NO2 contents, vertical profiles of NO2 are retrieved at the Zvenigorod station. Zvenigorod and Zhigansk are the measurement stations within the Network for the Detection of Atmospheric Composition Change (NDACC). For interpretation of results of analysis of NO2 data, data of Ozone Monitoring Instrument measurements of total column ozone and rawinsonde data are also analyzed and back trajectories calculated with the help of HYSPLIT trajectory model are used. Significant negative anomalies in stratospheric NO2 columns accompanied by episodes of significant cooling of the stratosphere and decrease in total ozone were observed at the three stations in the winter-spring period of 2011. Trajectory analysis shows that the anomalies were caused by the transport of stratospheric air from the region of the ozone hole observed that season in the Arctic. Although negative NO2 anomalies due to the transport from the Arctic were also observed in some other years, the anomalies in 2011 have had record magnitudes. Analysis of NO2 vertical profiles at Zvenigorod shows that the NO2 anomaly in 2011 compared to other years anomalies was additionally contributed by the denitrification of the Arctic lower stratosphere. NO2 profiles show that a certain degree of the denitrification probably survived even after the ozone hole.

  5. Preparation of open tubular capillary columns by in situ ring-opening polymerization and their applications in cLC-MS/MS analysis of tryptic digest.

    PubMed

    Wang, Hongwei; Yao, Yating; Li, Ya; Ma, Shujuan; Peng, Xiaojun; Ou, Junjie; Ye, Mingliang

    2017-08-01

    An open tubular (OT) column (25 μm i.d.) was prepared by in situ ring-opening polymerization of octaglycidyldimethylsilyl polyhedral oligomeric silsesquioxanes (POSS-epoxy) with 4-aminophenyl disulfide (APDS) in a binary porogenic system of ethanol/H 2 O. It was found that porogenic composition played an important role in the formation of OT stationary phases. The ratio of ethanol/H 2 O at 6/1 (v/v) would lead to the fabrication of hybrid monoliths, while the ratio of ethanol/H 2 O at 13/1 (v/v) would result in the synthesis of OT phases. In addition, the effects of precursor content and reaction duration on the thickness of OT stationary phases were investigated. Either lower precursor content or shorter reaction duration would produce thinner layer of OT column. The repeatability of OT columns was evaluated through relative standard deviation (RSD%) with benzene as the analyte. The run-to-run, column-to-column and batch-to-batch repeatabilities were 1.7%, 4.8% and 5.6%, respectively, exhibiting satisfactory repeatability of the OT column. Then tryptic digest of mouse liver proteins was used to evaluate the performance of the resulting OT columns (25 μm i.d. × 2.5 m in length) by cLC-MS/MS analysis, demonstrating their potential in proteome analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Study on tribological and electrochemistry properties of metal materials in H2O2 solutions

    NASA Astrophysics Data System (ADS)

    Yuan, Chengqing; Yu, Li; Li, Jian; Yan, Xinping

    2012-03-01

    Hydrogen peroxide (H2O2) is a kind of ideal green propellant. It is crucial to study the wear behavior and failure modes of the metal materials under the strong oxidizing environment of H2O2. This study aims to investigate the wear of rubbing pairs of 2Cr13 stainless steel against 1045 metal in H2O2 solutions, which has a great effect on wear, the decomposition and damage mechanism of materials. The comparison analysis of the friction coefficients, wear mass loss, worn surface topographies and current densities was conducted under different concentrations of H2O2 solutions. There were significant differences in the tribological and electrochemistry properties of the rubbing pairs in different H2O2 solutions.

  7. Metabolic modeling of synthesis gas fermentation in bubble column reactors.

    PubMed

    Chen, Jin; Gomez, Jose A; Höffner, Kai; Barton, Paul I; Henson, Michael A

    2015-01-01

    A promising route to renewable liquid fuels and chemicals is the fermentation of synthesis gas (syngas) streams to synthesize desired products such as ethanol and 2,3-butanediol. While commercial development of syngas fermentation technology is underway, an unmet need is the development of integrated metabolic and transport models for industrially relevant syngas bubble column reactors. We developed and evaluated a spatiotemporal metabolic model for bubble column reactors with the syngas fermenting bacterium Clostridium ljungdahlii as the microbial catalyst. Our modeling approach involved combining a genome-scale reconstruction of C. ljungdahlii metabolism with multiphase transport equations that govern convective and dispersive processes within the spatially varying column. The reactor model was spatially discretized to yield a large set of ordinary differential equations (ODEs) in time with embedded linear programs (LPs) and solved using the MATLAB based code DFBAlab. Simulations were performed to analyze the effects of important process and cellular parameters on key measures of reactor performance including ethanol titer, ethanol-to-acetate ratio, and CO and H2 conversions. Our computational study demonstrated that mathematical modeling provides a complementary tool to experimentation for understanding, predicting, and optimizing syngas fermentation reactors. These model predictions could guide future cellular and process engineering efforts aimed at alleviating bottlenecks to biochemical production in syngas bubble column reactors.

  8. Bone Mineral 31P and Matrix-Bound Water Densities Measured by Solid-State 1H and 31P MRI

    PubMed Central

    Seifert, Alan C.; Li, Cheng; Rajapakse, Chamith S.; Bashoor- Zadeh, Mahdieh; Bhagat, Yusuf A.; Wright, Alexander C.; Zemel, Babette S.; Zavaliangos, Antonios; Wehrli, Felix W.

    2014-01-01

    Bone is a composite material consisting of mineral and hydrated collagen fractions. MRI of bone is challenging due to extremely short transverse relaxation times, but solid-state imaging sequences exist that can acquire the short-lived signal from bone tissue. Previous work to quantify bone density via MRI used powerful experimental scanners. This work seeks to establish the feasibility of MRI-based measurement on clinical scanners of bone mineral and collagen-bound water densities, the latter as a surrogate of matrix density, and to examine the associations of these parameters with porosity and donors’ age. Mineral and matrix-bound water images of reference phantoms and cortical bone from 16 human donors, ages 27-97 years, were acquired by zero-echo-time 31P and 1H MRI on whole body 7T and 3T scanners, respectively. Images were corrected for relaxation and RF inhomogeneity to obtain density maps. Cortical porosity was measured by micro-CT, and apparent mineral density by pQCT. MRI-derived densities were compared to x-ray-based measurements by least-squares regression. Mean bone mineral 31P density was 6.74±1.22 mol/L (corresponding to 1129±204 mg/cc mineral), and mean bound water 1H density was 31.3±4.2 mol/L (corresponding to 28.3±3.7 %v/v). Both 31P and bound water (BW) densities were correlated negatively with porosity (31P: R2 = 0.32, p < 0.005; BW: R2 = 0.63, p < 0.0005) and age (31P: R2 = 0.39, p < 0.05; BW: R2 = 0.70, p < 0.0001), and positively with pQCT density (31P: R2 = 0.46, p < 0.05; BW: R2 = 0.50, p < 0.005). In contrast, the bone mineralization ratio (expressed here as the ratio of 31P density to bound water density), which is proportional to true bone mineralization, was found to be uncorrelated with porosity, age, or pQCT density. This work establishes the feasibility of image-based quantification of bone mineral and bound water densities using clinical hardware. PMID:24846186

  9. Measuring and modeling three-dimensional water uptake of a growing faba bean (Vicia faba) within a soil column

    NASA Astrophysics Data System (ADS)

    Huber, Katrin; Koebernick, Nicolai; Kerkhofs, Elien; Vanderborght, Jan; Javaux, Mathieu; Vetterlein, Doris; Vereecken, Harry

    2014-05-01

    A faba bean was grown in a column filled with a sandy soil, which was initially close to saturation and then subjected to a single drying cycle of 30 days. The column was divided in four hydraulically separated compartments using horizontal paraffin layers. Paraffin is impermeable to water but penetrable by roots. Thus by growing deeper, the roots can reach compartments that still contain water. The root architecture was measured every second day by X-ray CT. Transpiration rate, soil matric potential in four different depths, and leaf area were measured continously during the experiment. To investigate the influence of the partitioning of available soil water in the soil column on water uptake, we used R-SWMS, a fully coupled root and soil water model [1]. We compared a scenario with and without the split layers and investigated the influence on root xylem pressure. The detailed three-dimensional root architecture was obtained by reconstructing binarized root images manually with a virtual reality system, located at the Juelich Supercomputing Centre [2]. To verify the properties of the root system, we compared total root lengths, root length density distributions and root surface with estimations derived from Minkowski functionals [3]. In a next step, knowing the change of root architecture in time, we could allocate an age to each root segment and use this information to define age dependent root hydraulic properties that are required to simulate water uptake for the growing root system. The scenario with the split layers showed locally much lower pressures than the scenario without splits. Redistribution of water within the unrestricted soil column led to a more uniform distribution of water uptake and lowers the water stress in the plant. However, comparison of simulated and measured pressure heads with tensiometers suggested that the paraffin layers were not perfectly hydraulically isolating the different soil layers. We could show compensation efficiency of

  10. NMR studies of electronic structure in crystalline and amorphous Zr2PdH/x/

    NASA Technical Reports Server (NTRS)

    Bowman, R. C., Jr.; Johnson, W. L.; Maeland, A. J.; Rhim, W.-K.

    1983-01-01

    The proton Knight shifts and spin-lattice relaxation times have been measured in crystalline and amorphous Ze2PdH(x). Core polarization from the Zr d-band dominates the proton hyperfine interactions. The density of Fermi level d-electron states is reduced in the amorphous phase relative to the electron density in crystalline Zr2PdH(x).

  11. Repeatability of the efficiency of columns packed with sub-3μm core-shell particles: Part II. 2.7 μm Halo-ES-Peptide-C18 particles in 4.6mm and 2.1mm×100mm column formats.

    PubMed

    Gritti, Fabrice; Guiochon, Georges

    2012-08-24

    The column-to-column repeatability of the mass transfer kinetics in columns packed with sub-3μm shell particles was investigated. The parameters of this kinetics were measured for twelve columns (six 2.1mm×100mm and six 4.6mm×100mm) packed with the same batch of 2.7μm Halo-ES-Peptide-C(18) particles (Advanced Material Technologies, Wilmington, DE, USA). For both series, the manufacturer provided columns at different positions in the efficiency distribution given by the quality test control. Three compounds were used, uracil, naphthalene and insulin. The reduced longitudinal diffusion term was measured with the peak parking (PP) method; the reduced solid-liquid mass transfer resistance term was given by a combination of the PP results and the most accurate model of effective diffusion in ternary composite materials (non-porous cores, concentric porous shell, and eluent matrix), validated previously. The overall eddy diffusion term was obtained by subtraction of these two HETP terms from the overall reduced HETP measured by numerical integration of the entire peak profiles. The results demonstrate that the dispersion of the column efficiencies is mostly due to the random nature of the packing process and the associated eddy diffusion term. At the highest reduced velocity achieved, the relative standard deviations (RSDs) of the eddy diffusion term for the 2.1mm I.D. columns were ca. 5 and 10% (with average values A(ν)=2.3 and 8.5) for naphthalene and uracil, respectively. For the 4.6mm I.D. columns, these RSDs were 3 and 5%, respectively, with average values A(ν)=1.5 and 2.7. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Ftmw Observation and Analysis of the {p}-H_2-{AgCl} and {o}-H_2-{AgCl} Complex

    NASA Astrophysics Data System (ADS)

    Grubbs, G. S.; Obenchain, D. A.; Pickett, H. M.; Novick, S. E.

    2013-06-01

    The rotational spectrum of p-H_2-{AgCl} and o-H_2-{AgCl} has been measured for the first time using a Balle-Flygare type Fourier transform microwave (FTMW) spectrometer. {(B+C)}/{2}'s, nuclear quadrupole coupling constants, and centrifugal distortion constants have been determined for multiple isotopologues of both species while spin-spin coupling constants have also been determined for at least one isotopologue of the o-H_2 species. Substantial changes in the eQq value from the monomer occur at the Cl nucleus upon complexation with the H_2 and will be discussed. Experimental r_0's for the H_2 C.O.M. distance to Ag and Ag distance to Cl are 1.809(2)Å and 2.2656(2)Å , respectively, for the p-H_2 species and will be compared to theory. Quantum chemical calculations were performed with an APFD density functional and MP2 with an aug-cc-pVQZ basis set for the hydrogen and chlorine with the effective core potential ECP28MDF_AVQZ for the Ag and will be presented. K. D. Hensel, C. Styger, W. Jäger, A. J. Merer, and M. C. L. Gerry, J. Chem. Phys., 99(1993) 3320. A. Austin, G. A. Petersson, M. J. Frisch, F. J. Dobek, G. Scalmani, and K. J. Throsselll. Chem. Theor. Comp., 8(2012) 4989. D. Figgen, G. Rauhut, M. Dolg, and H. Stoll. Chem. Phys., 311(2005) 227. K. A. Peterson and C. Puzzarini. Theor. Chem. Acc., 114(2005) 283.

  13. Coupled-cluster, Möller Plesset (MP2), Density Fitted Local MP2, and Density Functional Theory Examination of the Energetic and Structural Features of Hydrophobic Solvation: Water and Pentane

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ghadar, Yasaman; Clark, Aurora E.

    2012-02-02

    The interaction potentials between immiscible polar and non-polar solvents are a major driving force behind the formation of liquid:liquid interfaces. In this work, the interaction energy of water–pentane dimer has been determined using coupled-cluster theory with single double (triple) excitations [CCSD(T)], 2nd order Möller Plesset perturbation theory (MP2), density fitted local MP2 (DF-LMP2), as well as density functional theory using a wide variety of density functionals and several different basis sets. The M05-2X exchange correlation functionals exhibit excellent agreement with CCSD(T) and DF-LMP2 after taking into account basis set superposition error. The gas phase water–pentane interaction energy is found tomore » be quite sensitive to the specific pentane isomer (2,2- dimethylpropane vs. n-pentane) and relative orientation of the monomeric constituents. Subsequent solution phase cluster calculations of 2,2-dimethylpropane and n-pentane solvated by water indicate a positive free energy of solvation that is in good agreement with available experimental data. Structural parameters are quite sensitive to the density functional employed and reflect differences in the two-body interaction energy calculated by each method. In contrast, cluster calculations of pentane solvation of H2O solute are found to be inadequate for describing the organic solvent, likely due to limitations associated with the functionals employed (B3LYP, BHandH, and M05-2X).« less

  14. Dissociative recombination of HCl+, H2Cl+, DCl+, and D2Cl+ in a flowing afterglow

    NASA Astrophysics Data System (ADS)

    Wiens, Justin P.; Miller, Thomas M.; Shuman, Nicholas S.; Viggiano, Albert A.

    2016-12-01

    Dissociative recombination of electrons with HCl+, H2Cl+, DCl+, and D2Cl+ has been measured under thermal conditions at 300, 400, and 500 K using a flowing afterglow-Langmuir probe apparatus. Measurements for HCl+ and DCl+ employed the variable electron and neutral density attachment mass spectrometry (VENDAMS) method, while those for H2Cl+ and D2Cl+ employed both VENDAMS and the more traditional technique of monitoring electron density as a function of reaction time. At 300 K, HCl+ and H2Cl+ recombine with kDR = 7.7±2.14.5 × 10-8 cm3 s-1 and 2.6 ± 0.8 × 10-7 cm3 s-1, respectively, whereas D2Cl+ is roughly half as fast as H2Cl+ with kDR = 1.1 ± 0.3 × 10-7 cm3 s-1 (2 σ confidence intervals). DCl+ recombines with a rate coefficient below the approximate detection limit of the method (≲5 × 10-8 cm3 s-1) at all temperatures. Relatively slow dissociative recombination rates have been speculated to be responsible for the large HCl+ and H2Cl+ abundances in interstellar clouds compared to current astrochemical models, but our results imply that the discrepancy must originate elsewhere.

  15. Use of a polar ionic liquid as second column for the comprehensive two-dimensional GC separation of PCBs.

    PubMed

    Zapadlo, Michal; Krupcík, Ján; Májek, Pavel; Armstrong, Daniel W; Sandra, Pat

    2010-09-10

    The orthogonality of three columns coupled in two series was studied for the congener specific comprehensive two-dimensional GC separation of polychlorinated biphenyls (PCBs). A non-polar capillary column coated with poly(5%-phenyl-95%-methyl)siloxane was used as the first ((1)D) column in both series. A polar capillary column coated with 70% cyanopropyl-polysilphenylene-siloxane or a capillary column coated with the ionic liquid 1,12-di(tripropylphosphonium)dodecane bis(trifluoromethane-sulfonyl)imide were used as the second ((2)D) columns. Nine multi-congener standard PCB solutions containing subsets of all native 209 PCBs, a mixture of 209 PCBs as well as Aroclor 1242 and 1260 formulations were used to study the orthogonality of both column series. Retention times of the corresponding PCB congeners on (1)D and (2)D columns were used to construct retention time dependences (apex plots) for assessing orthogonality of both columns coupled in series. For a visual assessment of the peak density of PCBs congeners on a retention plane, 2D images were compared. The degree of orthogonality of both column series was, along the visual assessment of distribution of PCBs on the retention plane, evaluated also by Pearson's correlation coefficient, which was found by correlation of retention times t(R,i,2D) and t(R,i,1D) of corresponding PCB congeners on both column series. It was demonstrated that the apolar+ionic liquid column series is almost orthogonal both for the 2D separation of PCBs present in Aroclor 1242 and 1260 formulations as well as for the separation of all of 209 PCBs. All toxic, dioxin-like PCBs, with the exception of PCB 118 that overlaps with PCB 106, were resolved by the apolar/ionic liquid series while on the apolar/polar column series three toxic PCBs overlapped (105+127, 81+148 and 118+106). Copyright 2010 Elsevier B.V. All rights reserved.

  16. Conformational Isomerism of trans-[Pt(NH2C6H11)2I2] and the Classical Wernerian Chemistry of [Pt(NH2C6H11)4]X2 (X = Cl, Br, I)1

    PubMed Central

    Johnstone, Timothy C.; Lippard, Stephen J.

    2012-01-01

    X-ray crystallographic analysis of the compound trans-[Pt(NH2C6H11)2I2] revealed the presence of two distinct conformers within one crystal lattice. This compound was studied by variable temperature NMR spectroscopy to investigate the dynamic interconversion between these isomers. The results of this investigation were interpreted using physical (CPK) and computational (molecular mechanics and density functional theory) models. The conversion of the salts [Pt(NH2C6H11)4]X2 into trans-[Pt(NH2C6H11)2X2] (X = Cl, Br, I) was also studied and is discussed here with an emphasis on parallels to the work of Alfred Werner. PMID:23554544

  17. The dehydrogenation mechanism during the incubation period in nanocrystalline MgH2.

    PubMed

    Shantilal Gangrade, Apurva; Aditya Varma, Akhil; Kishor Gor, Nikhil; Shriniwasan, Sweta; Tatiparti, Sankara Sarma V

    2017-03-01

    The dehydrogenation mechanism during the incubation period in nanocrystalline MgH 2 (low α: converted metal fraction and dα/dt) and the reasons for the occurrence of the incubation period at 320, 350, and 400 °C were investigated. Pre-existing Mg crystallites can enhance Mg nucleation during the incubation period, as suggested by the estimated activation energy for nucleation (12 ± 2 kJ per mol H). The released H-atoms enter MgH 2 as interstitials, as indicated by the MgH 2 unit-cell contraction, resulting in increased equatorial Mg-H bond length, decreased charge-density distribution in the interstitial region, as observed from the charge-density maps, and decreased H-H distance in the {001} plane up to the midway of the incubation period. Eventually, hydrogen vacancies are created, as indicated by the red shift in the E g and A 1g peaks of Raman spectra. The high estimated activation energy for the growth of Mg (209 ± 8 kJ per mol H) renders it difficult and explains the reason for the presence of an incubation period.

  18. Observed and simulated time evolution of HCl, ClONO2, and HF total columns

    NASA Astrophysics Data System (ADS)

    Ruhnke, Roland; Geomon, Ndacc Infrared, Modelling Working Group

    2010-05-01

    GEOmon, NDACC Infrared, and Modelling Working Group: M.P. Chipperfield (2), M. De Mazière (3), J. Notholt (4), S. Barthlott (1), R.L. Batchelor (5,17), R.D. Blatherwick (16), Th. Blumenstock (1), M.T. Coffey (17), P. Duchatelet (6), H. Fast (7), W. Feng (2), A. Goldman (16), D.W.T. Griffith (8), K. Hamann (1), J.W. Hannigan (17), F. Hase (1), N.B. Jones (8), A. Kagawa (9,10), Y. Kasai (9), O. Kirner (19), R. Kohlhepp (1), W. Kouker (1), I. Kramer (1), R. Lindenmaier (5), E. Mahieu (6), R.L. Mittermeier (7), B. Monge-Sanz (2), I. Murata (12), H. Nakajima (13), I. Morino (11), M. Palm (4), C. Paton-Walsh (8), Th. Reddmann (1), M. Rettinger (15), C.P. Rinsland (18), M. Schneider (1), C. Senten (3), B.-M. Sinnhuber (4), D. Smale (14), K. Strong (5), R. Sussmann (15), J.R. Taylor (5), G. Vanhaelewyn (3), T. Warneke (4), C. Whaley (5), M. Wiehle (1), and S.W. Wood (14) (1) Karlsruhe Institute of Technology (KIT), IMK-ASF, Karlsruhe, Germany, (2) University of Leeds, Leeds, United Kingdom, (3) Belgian Institute for Space Aeronomy (BIRA-IASB), Brussels, Belgium, (4) University of Bremen, Institute of Environmental Physics, Bremen, Germany, (5) Department of Physics, University of Toronto, Toronto, Ontario, Canada, (6) University of Liège, Institute of Astrophysics and Geophysics, Liège, Belgium, (7) Environment Canada, Toronto, Ontario, Canada, (8) Centre for Atmospheric Chemistry, University of Wollongong, Wollongong, Australia, (9) National Institute of Information and Communications Technology, Tokyo, Japan, (10) Fujitsu FIP Corporation, Tokyo, Japan, (11) Center for Global Environmental Research, National Institute for Environmental Studies (NIES), Japan, (12) Department of Environmental Studies, Graduate School of Environmental Studies, Tohoku University, Japan, (13) Atmospheric Environment Division, National Institute for Environmental Studies, Japan, (14) National Institute of Water and Atmospheric Research Ltd (NIWA), Lauder, New Zealand, (15) Karlsruhe

  19. Precision Column CO2 Measurement from Space Using Broad Band LIDAR

    NASA Technical Reports Server (NTRS)

    Heaps, William S.

    2009-01-01

    In order to better understand the budget of carbon dioxide in the Earth's atmosphere it is necessary to develop a global high precision understanding of the carbon dioxide column. To uncover the missing sink" that is responsible for the large discrepancies in the budget as we presently understand it, calculation has indicated that measurement accuracy of 1 ppm is necessary. Because typical column average CO2 has now reached 380 ppm this represents a precision on the order of 0.25% for these column measurements. No species has ever been measured from space at such a precision. In recognition of the importance of understanding the CO2 budget to evaluate its impact on global warming the National Research Council in its decadal survey report to NASA recommended planning for a laser based total CO2 mapping mission in the near future. The extreme measurement accuracy requirements on this mission places very strong constraints on the laser system used for the measurement. This work presents an overview of the characteristics necessary in a laser system used to make this measurement. Consideration is given to the temperature dependence, pressure broadening, and pressure shift of the CO2 lines themselves and how these impact the laser system characteristics. We are examining the possibility of making precise measurements of atmospheric carbon dioxide using a broad band source of radiation. This means that many of the difficulties in wavelength control can be treated in the detector portion of the system rather than the laser source. It also greatly reduces the number of individual lasers required to make a measurement. Simplifications such as these are extremely desirable for systems designed to operate from space.

  20. Alkaline-Acid Zn-H2 O Fuel Cell for the Simultaneous Generation of Hydrogen and Electricity.

    PubMed

    Cai, Pingwei; Li, Yan; Wang, Genxiang; Wen, Zhenhai

    2018-04-03

    An alkaline-acid Zn-H 2 O fuel cell is proposed for the simultaneous generation of electricity with an open circuit voltage of about 1.25 V and production of H 2 with almost 100 % Faradic efficiency. We demonstrate that, as a result of harvesting energy from both electrochemical neutralization and electrochemical Zn oxidation, the as-developed hybrid cell can deliver a power density of up to 80 mW cm -2 and an energy density of 934 Wh kg -1 and maintain long-term stability for H 2 production with an output voltage of 1.16 V at a current density of 10 mA cm -2 . © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. The footprint of CO2 leakage in the water-column: Insights from numerical modeling based on a North Sea gas release experiment

    NASA Astrophysics Data System (ADS)

    Vielstädte, L.; Linke, P.; Schmidt, M.; Sommer, S.; Wallmann, K.; McGinnis, D. F.; Haeckel, M.

    2013-12-01

    Assessing the environmental impact of potential CO2 leakage from offshore carbon dioxide storage sites necessitates the investigation of the corresponding pH change in the water-column. Numerical models have been developed to simulate the buoyant rise and dissolution of CO2 bubbles in the water-column and the subsequent near-field dispersion of dissolved CO2 in seawater under ocean current and tidal forcing. In order to test and improve numerical models a gas release experiment has been conducted at 80 m water-depth within the Sleipner area (North Sea). CO2 and Kr (used as inert tracer gas) were released on top of a benthic lander at varying gas flows (<140 kg/day) and bubble sizes (de: 1-6 mm). pCO2 and pH were measured by in situ sensors to monitor the spread of the solute in different vertical heights and distances downstream of the artificial leak. The experiment and numerical analysis show that the impact of such leakage rates is limited to the near-field bottom waters, due to the rapid dissolution of CO2 bubbles in seawater (CO2 is being stripped within the first two to five meters of bubble rise). In particular, small bubbles, which will dissolve close to the seafloor, may cause a dangerous low-pH environment for the marine benthos. However, on the larger scale, the advective transport by e.g. tidal currents, dominates the CO2 dispersal in the North Sea and dilutes the CO2 peak quickly. The model results show that at the small scales (<100 m) of the CO2 plume the lateral eddy diffusion (~0.01 m2/s) has only a negligible effect. Overall, we can postulate that CO2 leakage at a rate of ~ 100 kg per day as in our experiment will only have a localized impact on the marine environment, thereby reducing pH substantially (by 0.4 units) within a diameter of less than 50 m around the release spot (depending on the duration of leakage and the current velocities). Strong currents and tidal cycles significantly reduce the spreading of low-pH water masses into the far

  2. Ensuring repeatability and robustness of poly(glycidyl methacrylate-co-ethylene dimethacrylate) HPLC monolithic columns of 3 mm id through covalent bonding to the column wall.

    PubMed

    Laaniste, Asko; Kruve, Anneli; Leito, Ivo

    2013-08-01

    Two different methods to reinforce the poly(glycidyl methacrylate-co-ethylene dimethacrylate) HPLC monolithic columns of 3 mm id in a glass column reservoir were studied: composite columns with polymeric particles in the monolith and surface treatment of the reservoir wall. Of the two methods used to counter the mechanical instability and formation of flow channels (composite columns and column wall surface treatment), we demonstrated that proper column wall surface treatment was sufficient to solve both problems. Our study also indicated that no surface treatment is efficient, and of the methods studied silanization in acidified ethanol solution and constant renewal of the reaction mixture (dynamic mode) proved to be the most effective. As a result of this study, we have been able to prepare repeatable and durable methacrylate HPLC columns with good efficiencies. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. The solubility of gold in H 2 O-H 2 S vapour at elevated temperature and pressure

    NASA Astrophysics Data System (ADS)

    Zezin, Denis Yu.; Migdisov, Artashes A.; Williams-Jones, Anthony E.

    2011-09-01

    This experimental study sheds light on the complexation of gold in reduced sulphur-bearing vapour, specifically, in H 2O-H 2S gas mixtures. The solubility of gold was determined in experiments at temperatures of 300, 350 and 365 °C and reached 2.2, 6.6 and 6.3 μg/kg, respectively. The density of the vapour varied from 0.02 to 0.22 g/cm 3, the mole fraction of H 2S varied from 0.03 to 0.96, and the pressure in the cell reached 263 bar. Statistically significant correlations of the amount of gold dissolved in the fluid with the fugacity of H 2O and H 2S permit the experimental data to be fitted to a solvation/hydration model. According to this model, the solubility of gold in H 2O-H 2S gas mixtures is controlled by the formation of sulphide or bisulphide species solvated by H 2S or H 2O molecules. Formation of gold sulphide species is favoured statistically over gold bisulphide species and thus the gold is interpreted to dissolve according to reactions of the form: Au(s)+(n+1)HS(g)=AuS·(HS)n(g)+H(g) Au(s)+HS(g)+mHO(g)=AuS·(HO)m(g)+H(g) Equilibrium constants for Reaction (A1) and the corresponding solvation numbers ( K A1 and n) were evaluated from the study of Zezin et al. (2007). The equilibrium constants as well as the hydration numbers for Reaction (A2) ( K A2 and m) were adjusted simultaneously by a custom-designed optimization algorithm and were tested statistically. The resulting values of log K A2 and m are -15.3 and 2.3 at 300 and 350 °C and -15.1 and 2.2 at 365 °C, respectively. Using the calculated stoichiometry and stability of Reactions (A1) and (A2), it is now possible to quantitatively evaluate the contribution of reduced sulphur species to the transport of gold in aqueous vapour at temperatures up to 365 °C. This information will find application in modelling gold ore-forming processes in vapour-bearing magmatic hydrothermal systems, notably those of epithermal environments.

  4. Ion energy distributions and the density of CH3 radicals in a low pressure inductively coupled CH4/H2 plasma used for nanocrystalline diamond deposition

    NASA Astrophysics Data System (ADS)

    Okada, Katsuyuki; Komatsu, Shojiro; Matsumoto, Seiichiro

    2003-11-01

    Ion energy distributions (IEDs) and the density of CH3 radicals (n) in a 13.56 MHz radio frequency (rf) low pressure inductively coupled CH4/H2 plasma used for nanocrystalline diamond deposition have been investigated with a quadrupole mass spectrometer. The energy distributions of positive ions were measured in a CH4/H2 plasma with 50 mTorr of the gas pressure at 500 W of the plasma input power, and were compared with those of an Ar plasma. We have found that the IEDs of Ar+, CH4+, and C2H5+ have a nearly monoenergetic peak, and a hump due to a small degree of capacitive coupling. The plasma potentials obtained from the peaks are consistent with the previously reported values measured with a Langmuir probe. On the other hand, the IEDs of H+, H2+, and H3+ have a clear asymmetric double peak due to the modulation of rf driven glow discharge. The n monotonously increases with increasing pressure. The n indicates that CH3 radicals are main precursors for the growth of nanocrystalline diamond. The estimated sticking coefficient of the CH3 radical is comparable with the reported value.

  5. H I in Arp 72 and similarities with M51-type systems

    NASA Astrophysics Data System (ADS)

    Sengupta, Chandreyee; Saikia, D. J.; Dwarakanath, K. S.

    2012-02-01

    We present neutral hydrogen (H I) observations with the Giant Metrewave Radio Telescope (GMRT) of the interacting galaxies NGC 5996 and 5994, which make up the Arp 72 system. Arp 72 is an M51-type system and shows a complex distribution of H I tails and a bridge due to tidal interactions. H I column densities ranging from 0.8-1.8 × 1020 atoms cm-2 in the eastern tidal tail to 1.7-2 × 1021 atoms cm-2 in the bridge connecting the two galaxies are seen to be associated with star-forming regions. We discuss the morphological and kinematic similarities of Arp 72 with M51, the archetypal example of the M51-type systems, and Arp 86, another M51-type system studied with the GMRT, and suggest that a multiple passage model of Salo & Laurikainen may be preferred over the classical single passage model of Toomre & Toomre to reproduce the H I features in Arp 72 as well as in other M-51 systems depicting similar optical and H I features.

  6. Rate Coefficients of C2H with C2H4, C2H6, and H2 from 150 to 359 K

    NASA Technical Reports Server (NTRS)

    Opansky, Brian J.; Leone, Stephen R.

    1996-01-01

    Rate coefficients for the reactions C2H with C2H4, C2H6, and H2 are measured over the temperature range 150-359 K using transient infrared laser absorption spectroscopy. The ethynyl radical is formed by photolysis of C2H2 with a pulsed excimer laser at 193 nm, and its transient absorption is monitored with a color center laser on the Q(sub 11)(9) line of the A(sup 2) Pi-Chi(sup 2) Sigma transition at 3593.68 cm(exp -1). Over the experimental temperature range 150-359 K the rate constants of C2H with C2H4, C2H6, and H2 can be fitted to the Arrhenius expressions k(sub C2H4) = (7.8 +/- 0.6) x 10(exp -11) exp[(134 +/- 44)/T], k(sub C2H6) = (3.5 +/- 0.3) x 10(exp -11) exp[(2.9 +/- 16)/T], and k(sub H2) = (1.2 +/- 0.3) x 10(exp -11) exp[(-998 +/- 57)]/T cm(exp 3) molecule(exp -1) sec(exp -1). The data for C2H with C2H4 and C2H6 indicate a negligible activation energy to product formation shown by the mild negative temperature dependence of both reactions. When the H2 data are plotted together with the most recent high-temperature results from 295 to 854 K, a slight curvature is observed. The H2 data can be fit to the non-Arrhenius form k(sub H2) = 9.2 x 10(exp -18) T(sup 2.17 +/- 0.50) exp[(-478 +/- 165)/T] cm(exp 3) molecules(exp -1) sec(exp -1). The curvature in the Arrhenius plot is discussed in terms of both quantum mechanical tunneling of the H atom from H2 to the C2H radical and bending mode contributions to the partition function.

  7. Catalytic activity of Cu4-cluster to adsorb H2S gas: h-BN nanosheet

    NASA Astrophysics Data System (ADS)

    Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh

    2018-05-01

    We have investigated the electronic properties, adsorptions strength and charge transfer using first principles calculations using density functional theory (DFT). The hexagonal boron nitride (h-BN) substrate shows metallic behavior, which helps to enhance the absorption process. The adsorption of three different orientations (S, D and T) of the H2S gas molecules to analyze the maximum adsorption strength from them onto a copper cluster (Cu4) based on h-BN nanosheet. The maximum adsorption energy of the H2S gas molecule is -1.50 eV for the S orientation and for D and U, it is -0.71 eV and -0.78 eV, respectively. The results show that Cu4 cluster helps to capture H2S gas from the environment and results are useful for the cleaning environment from the toxic gases.

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

    NASA Astrophysics Data System (ADS)

    Duflot, V.; Wespes, C.; Clarisse, L.; Hurtmans, D.; Ngadi, Y.; Jones, N.; Paton-Walsh, C.; Hadji-Lazaro, J.; Vigouroux, C.; De Mazière, M.; Metzger, J.-M.; Mahieu, E.; Servais, C.; Hase, F.; Schneider, M.; Clerbaux, C.; Coheur, P.-F.

    2015-09-01

    We present global distributions of C2H2 and hydrogen cyanide (HCN) total columns derived from the Infrared Atmospheric Sounding Interferometer (IASI) for the years 2008-2010. These distributions are obtained with a fast method allowing to retrieve C2H2 abundance globally with a 5 % precision and HCN abundance in the tropical (subtropical) belt with a 10 % (25 %) precision. IASI data are compared for validation purposes with ground-based Fourier transform infrared (FTIR) spectrometer measurements at four selected stations. We show that there is an overall agreement between the ground-based and space measurements with correlation coefficients for daily mean measurements ranging from 0.28 to 0.81, depending on the site. Global C2H2 and subtropical HCN abundances retrieved from IASI spectra show the expected seasonality linked to variations in the anthropogenic emissions and seasonal biomass burning activity, as well as exceptional events, and are in good agreement with previous spaceborne studies. Total columns simulated by the Model for Ozone and Related Chemical Tracers, version 4 (MOZART-4) are compared to the ground-based FTIR measurements at the four selected stations. The model is able to capture the seasonality in the two species in most of the cases, with correlation coefficients for daily mean measurements ranging from 0.50 to 0.86, depending on the site. IASI measurements are also compared to the distributions from MOZART-4. Seasonal cycles observed from satellite data are reasonably well reproduced by the model with correlation coefficients ranging from -0.31 to 0.93 for C2H2 daily means, and from 0.09 to 0.86 for HCN daily means, depending on the considered region. However, the anthropogenic (biomass burning) emissions used in the model seem to be overestimated (underestimated), and a negative global mean bias of 1 % (16 %) of the model relative to the satellite observations was found for C2H2 (HCN).

  9. Study of scattering cross section of a plasma column using Green's function volume integral equation method

    NASA Astrophysics Data System (ADS)

    Soltanmoradi, Elmira; Shokri, Babak

    2017-05-01

    In this article, the electromagnetic wave scattering from plasma columns with inhomogeneous electron density distribution is studied by the Green's function volume integral equation method. Due to the ready production of such plasmas in the laboratories and their practical application in various technological fields, this study tries to find the effects of plasma parameters such as the electron density, radius, and pressure on the scattering cross-section of a plasma column. Moreover, the incident wave frequency influence of the scattering pattern is demonstrated. Furthermore, the scattering cross-section of a plasma column with an inhomogeneous collision frequency profile is calculated and the effect of this inhomogeneity is discussed first in this article. These results are especially used to determine the appropriate conditions for radar cross-section reduction purposes. It is shown that the radar cross-section of a plasma column reduces more for a larger collision frequency, for a relatively lower plasma frequency, and also for a smaller radius. Furthermore, it is found that the effect of the electron density on the scattering cross-section is more obvious in comparison with the effect of other plasma parameters. Also, the plasma column with homogenous collision frequency can be used as a better shielding in contrast to its inhomogeneous counterpart.

  10. Fabry-Perot Interferometer for Column CO2

    NASA Technical Reports Server (NTRS)

    Heaps, William S.; Kawa, Randolph; Bhartia, P. K. (Technical Monitor)

    2002-01-01

    Global atmospheric CO2 measurements are essential to resolving significant discrepancies in our understanding of the global carbon budget and, hence, humankind's role in global climate change. The science measurement requirements for CO2 are extremely demanding (precision approx. 0.3%). No atmospheric chemical species has ever been measured from space with this precision. We are developing a novel application of a Fabry-Perot interferometer to detect spectral absorption of reflected sunlight by CO2 and O2 in the atmosphere. Preliminary design studies indicate that the method will be able to achieve the sensitivity and signal-to-noise detection required to measure column CO2 at the target specification. The objective of this program is to construct a prototype instrument for deployment on an aircraft to test the instrument performance and our ability to retrieve the data in the real atmosphere. To date we have assembled a laboratory bench system to begin testing the optical and electronic components. We are also measuring signal and noise levels in actual sunlight to evaluate component performance.

  11. Highly efficient monolithic silica capillary columns modified with poly(acrylic acid) for hydrophilic interaction chromatography.

    PubMed

    Horie, Kanta; Ikegami, Tohru; Hosoya, Ken; Saad, Nabil; Fiehn, Oliver; Tanaka, Nobuo

    2007-09-14

    Monolithic silica capillary columns for hydrophilic interaction liquid chromatography (HILIC) were prepared by on-column polymerization of acrylic acid on monolithic silica in a fused silica capillary modified with anchor groups. The products maintained the high permeability (K=5 x 10(-14)m(2)) and provided a plate height (H) of less than 10 microm at optimum linear velocity (u) and H below 20 microm at u=6mm/s for polar solutes including nucleosides and carbohydrates. The HILIC mode monolithic silica capillary column was able to produce 10000 theoretical plates (N) with column dead time (t(0)) of 20s at a pressure drop of 20 MPa or lower. The total performance was much higher than conventional particle-packed HILIC columns currently available. The gradient separations of peptides by a capillary LC-electrospray mass spectrometry system resulted in very different retention selectivity between reversed-phase mode separations and the HILIC mode separations with a peak capacity of ca. 100 in a 10 min gradient time in either mode. The high performance observed with the monolithic silica capillary column modified with poly(acrylic acid) suggests that the HILIC mode can be an alternative to the reversed-phase mode for a wide range of compounds, especially for those of high polarity in isocratic as well as gradient elution.

  12. Physical limit of stability in supercooled D2O and D2O+H2O mixtures

    NASA Astrophysics Data System (ADS)

    Kiselev, S. B.; Ely, J. F.

    2003-01-01

    The fluctuation theory of homogeneous nucleation was applied for calculating the physical boundary of metastable states, the kinetic spinodal, in supercooled D2O and D2O+H2O mixtures. The kinetic spinodal in our approach is completely determined by the surface tension and equation of state of the supercooled liquid. We developed a crossover equation of state for supercooled D2O, which predicts a second critical point of low density water-high density water equilibrium, CP2, and represents all available experimental data in supercooled D2O within experimental accuracy. Using Turnbull's expression for the surface tension we calculated with the crossover equation of state for supercooled D2O the kinetic spinodal, TKS, which lies below the homogeneous nucleation temperature, TH. We show that CP2 always lies inside in the so-called "nonthermodynamic habitat" and physically does not exist. However, the concept of a second "virtual" critical point is physical and very useful. Using this concept we have extended this approach to supercooled D2O+H2O mixtures. As an example, we consider here an equimolar D2O+H2O mixture in normal and supercooled states at atmospheric pressure, P=0.1 MPa.

  13. Analysis of Pulsed Lidar Measurements of Atmospheric CO2 Column Absorption During the ASCENDS 2009-2011 Airborne Campaigns

    NASA Technical Reports Server (NTRS)

    Abshire, J. B.; Weaver, C. J.; Riris, H.; Mao, J.; Sun, X; Allan, G. R.; Hasselbrack, W. E.; Browell, E. V.

    2012-01-01

    We have developed a pulsed lidar technique for measuring the tropospheric CO2 concentrations as a candidate for NASA's ASCENDS mission and have demonstrated the CO2 and O2 measurements from aircraft. Our technique uses two pulsed lasers allowing simultaneous measurement of a single CO2 absorption line near 1572 nm, O2 extinction in the Oxygen A-band, surface height and backscatter profile. The lasers are stepped in wavelength across the CO2 line and an O2 line doublet during the measurement. The column densities for the CO2 and O2 are estimated from the differential optical depths (DOD) of the scanned absorption lines via the IPDA technique. For the 2009 ASCENDS campaign we flew the CO2 lidar on a Lear-25 aircraft, and measured the absorption line shapes of the CO2 line using 20 wavelength samples per scan. Measurements were made at stepped altitudes from 3 to 12.6 km over the Lamont OK, central Illinois, North Carolina, and over the Virginia Eastern Shore. Although the received signal energies were weaker than expected for ASCENDS, clear CO2 line shapes were observed at all altitudes. Most flights had 5-6 altitude steps with 200-300 seconds of recorded measurements per step. We averaged every 10 seconds of measurements and used a cross-correlation approach to estimate the range to the scattering surface and the echo pulse energy at each wavelength. We then solved for the best-fit CO2 absorption line shape, and calculated the DOD of the fitted CO2 line, and computed its statistics at the various altitude steps. We compared them to CO2 optical depths calculated from spectroscopy based on HITRAN 2008 and the column number densities calculated from the airborne in-situ readings. The 2009 measurements have been analyzed and they were similar on all flights. The results show clear CO2 line shape and absorption signals, which follow the expected changes with aircraft altitude from 3 to 13 km. They showed the expected nearly the linear dependence of DOD vs altitude. The

  14. Pulsed Lidar Measurements of Atmospheric CO2 Column Absorption and Range During the ASCENDS 2009-2011 Airborne Campaigns

    NASA Technical Reports Server (NTRS)

    Abshire, J. B.; Weaver, C. J.; Riris, H.; Mao, J.; Sun, X.; Allan, G. R.; Hasselbrack, W. E.; Browell, E. V.

    2012-01-01

    We have developed a pulsed lidar technique for measuring the tropospheric CO2 concentrations as a candidate for NASA's ASCENDS mission and have demonstrated the CO2 and O2 measurements from aircraft. Our technique uses two pulsed lasers allowing simultaneous measurement of a single CO2 absorption line near 1572 nm, O2 extinction in the Oxygen A-band, surface height and backscatter profile. The lasers are stepped in wavelength across the CO2 line and an O2 line doublet during the measurement. The column densities for the CO2 and O2 are estimated from the differential optical depths (DOD) of the scanned absorption lines via the IPDA technique. For the 2009 ASCENDS campaign we flew the CO2 lidar only on a Lear-25 aircraft, and measured the absorption line shapes of the CO2 line using 20 wavelength samples per scan. Measurements were made at stepped altitudes from 3 to 12.6 km over the Lamont OK, central Illinois, North Carolina, and over the Virginia Eastern Shore. Although the received signal energies were weaker than expected for ASCENDS, clear C02 line shapes were observed at all altitudes. Most flights had 5-6 altitude steps with 200-300 seconds of recorded measurements per step. We averaged every 10 seconds of measurements and used a cross-correlation approach to estimate the range to the scattering surface and the echo pulse energy at each wavelength. We then solved for the best-fit CO2 absorption line shape, and calculated the DOD of the fitted CO2 line, and computed its statistics at the various altitude steps. We compared them to CO2 optical depths calculated from spectroscopy based on HITRAN 2008 and the column number densities calculated from the airborne in-situ readings. The 2009 measurements have been analyzed in detail and they were similar on all flights. The results show clear CO2 line shape and absorption signals, which follow the expected changes with aircraft altitude from 3 to 13 km. They showed the expected nearly the linear dependence of DOD vs

  15. Phase and Physicochemical Properties Diagrams of Quaternary System Li2B4O7 + Na2B4O7 + Mg2B6O11 + H2O

    NASA Astrophysics Data System (ADS)

    Wang, Shi-qiang; Du, Xue-min; Jing, Yan; Guo, Ya-fei; Deng, Tian-long

    2017-12-01

    The phase and physicochemical properties diagrams of the quaternary system (Li2B4O7 + Na2B4O7 + Mg2B6O11) at 288.15 K and 0.1 MPa were constructed using the solubilities, densities, and refractive indices measured. In the phase diagrams of the system there are one invariant point, three univariant isothermic dissolution curves, and three crystallization regions corresponding to Li2B4O7 · 3H2O, Na2B4O7 · 10H2O, and Mg2B6O11 · 15H2O, respectively. The solution density, refractive index of the quaternary system changes regularly with the increasing of Li2B4O7 concentration. The calculated values of density and refractive index using empirical equations of the quaternary system are in good agreement with the experimental values.

  16. Modeling Stone Columns.

    PubMed

    Castro, Jorge

    2017-07-11

    This paper reviews the main modeling techniques for stone columns, both ordinary stone columns and geosynthetic-encased stone columns. The paper tries to encompass the more recent advances and recommendations in the topic. Regarding the geometrical model, the main options are the "unit cell", longitudinal gravel trenches in plane strain conditions, cylindrical rings of gravel in axial symmetry conditions, equivalent homogeneous soil with improved properties and three-dimensional models, either a full three-dimensional model or just a three-dimensional row or slice of columns. Some guidelines for obtaining these simplified geometrical models are provided and the particular case of groups of columns under footings is also analyzed. For the latter case, there is a column critical length that is around twice the footing width for non-encased columns in a homogeneous soft soil. In the literature, the column critical length is sometimes given as a function of the column length, which leads to some disparities in its value. Here it is shown that the column critical length mainly depends on the footing dimensions. Some other features related with column modeling are also briefly presented, such as the influence of column installation. Finally, some guidance and recommendations are provided on parameter selection for the study of stone columns.

  17. Modeling Stone Columns

    PubMed Central

    2017-01-01

    This paper reviews the main modeling techniques for stone columns, both ordinary stone columns and geosynthetic-encased stone columns. The paper tries to encompass the more recent advances and recommendations in the topic. Regarding the geometrical model, the main options are the “unit cell”, longitudinal gravel trenches in plane strain conditions, cylindrical rings of gravel in axial symmetry conditions, equivalent homogeneous soil with improved properties and three-dimensional models, either a full three-dimensional model or just a three-dimensional row or slice of columns. Some guidelines for obtaining these simplified geometrical models are provided and the particular case of groups of columns under footings is also analyzed. For the latter case, there is a column critical length that is around twice the footing width for non-encased columns in a homogeneous soft soil. In the literature, the column critical length is sometimes given as a function of the column length, which leads to some disparities in its value. Here it is shown that the column critical length mainly depends on the footing dimensions. Some other features related with column modeling are also briefly presented, such as the influence of column installation. Finally, some guidance and recommendations are provided on parameter selection for the study of stone columns. PMID:28773146

  18. Investigation into the disparate origin of CO2 and H2O outgassing for Comet 67/P

    NASA Astrophysics Data System (ADS)

    Fink, Uwe; Doose, Lyn; Rinaldi, Giovanna; Bieler, André; Capaccioni, Fabrizio; Bockelée-Morvan, Dominique; Filacchione, Gianrico; Erard, Stephane; Leyrat, Cedric; Blecka, Maria; Capria, Maria Teresa; Combi, Michael; Crovisier, Jacques; De Sanctis, Maria Cristina; Fougere, Nicolas; Taylor, Fred; Migliorini, Alessandra; Piccioni, Giuseppe

    2016-10-01

    We present an investigation of the emission intensity of CO2 and H2O and their distribution in the coma of 67P/ Churyumov-Gerasimenko obtained by the VIRTIS-M imaging spectrometer on the Rosetta mission. We analyze 4 data cubes from Feb. 28, and 7 data cubes from April 27, 2015. For both data sets the spacecraft was at a sufficiently large distance from the comet to allow images of the whole nucleus and the surrounding coma. We find that unlike water which has a reasonably predictable behavior and correlates well with the solar illumination, CO2 outgasses mostly in local regions or spots. Furthermore for the data on April 27, the CO2 evolves almost exclusively from the southern hemisphere, a region of the comet that has not received solar illumination since the comet's last perihelion passage. Because CO2 and H2O have such disparate origins, deriving mixing ratios from local column density measurements cannot provide a meaningful measurement of the CO2/H2O ratio in the coma of the comet. We obtain total production rates of H2O and CO2 by integrating the band intensity in an annulus surrounding the nucleus and obtain pro-forma production rate CO2/H2O mixing ratios of ∼5.0% and ∼2.5% for Feb. 28 and April 27, respectively. Because of the highly variable nature of the CO2 evolution from the surface we do not believe that these numbers are diagnostic of the comet's bulk CO2/H2O composition. We believe that our investigation provides an explanation for the large observed variations reported in the literature for the CO2/H2O production rate ratios. Our mixing ratio maps indicate that, besides the difference in vapor pressure of the two gases, this ratio depends on the comet's rotational orientation combined with its complex geometric shape which can result in quite variable rates of erosion for different surface areas such as the northern and southern hemisphere. Our annulus measurement for the total water production for Feb. 28 at 2.21AU from the Sun is 2.5 × 1026

  19. An analysis of OH excited state absorption lines in DR 21 and K3-50

    NASA Astrophysics Data System (ADS)

    Jones, K. N.; Doel, R. C.; Field, D.; Gray, M. D.; Walker, R. N. F.

    1992-10-01

    We present an analysis of the OH absorption line zones observed toward the compact H II regions DR 21 and K3-50. Using as parameters the kinetic and dust temperatures, the H2 number density and the ratio of OH-H2 number densities to the velocity gradient, the model quantitatively reproduces the absorption line data for the six main line transitions in 2 Pi3/2 J = 5/2, 7/2, and 9/2. Observed upper limits for the absorption or emission in the satellite lines of 2 Pi3/2 J = 5/2 are crucial in constraining the range of derived parameters. Physical conditions derived for DR 21 show that the kinetic temperature centers around 140 K, the H2 number density around 10 exp 7/cu cm, and that the OH column density in the excited state absorption zone lies between 1 x 10 exp 15/sq cm and 2 x 10 exp 15/sq cm. Including contributions from a J = 3/2 absorption zone, the total OH column density is more than a factor of 2 lower than estimates based upon LTE (Walmsley et al., 1986). The OH absorption zone in K3-50 tends toward higher density and displays a larger column density, while the kinetic temperature is similar. For both sources, the dust temperature is found to be significantly lower than the kinetic temperature.

  20. Assembly of [Cu2(COO)4] and [M3(μ3-O)(COO)6] (M = Sc, Fe, Ga, and In) building blocks into porous frameworks towards ultra-high C2H2/CO2 and C2H2/CH4 separation performance.

    PubMed

    Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Qu, Peng; Zhai, Quan-Guo

    2018-02-20

    A porous MOF platform (SNNU-65s) formed by creatively combining paddle-wheel-like [Cu 2 (COO) 4 ] and trigonal prismatic [M 3 (μ 3 -O)(COO) 6 ] building blocks was designed herein. The mixed and high-density open metal sites and the OH-functionalized pore surface promote SNNU-65s to exhibit ultra-high C 2 H 2 uptake and separation performance. Impressively, SNNU-65-Cu-Ga stands out for the highest C 2 H 2 /CO 2 (18.7) and C 2 H 2 /CH 4 (120.6) selectivity among all the reported MOFs at room temperature.