Sample records for calculated oxygen fugacity

  1. Calculation of Oxygen Fugacity in High Pressure Metal-Silicate Experiments and Comparison to Standard Approaches

    NASA Technical Reports Server (NTRS)

    Righter, K.; Ghiorso, M.

    2009-01-01

    Calculation of oxygen fugacity in high pressure and temperature experiments in metal-silicate systems is usually approximated by the ratio of Fe in the metal and FeO in the silicate melt: (Delta)IW=2*log(X(sub Fe)/X(sub FeO)), where IW is the iron-wustite reference oxygen buffer. Although this is a quick and easy calculation to make, it has been applied to a huge variety of metallic (Fe- Ni-S-C-O-Si systems) and silicate liquids (SiO2, Al2O3, TiO2, FeO, MgO, CaO, Na2O, K2O systems). This approach has surely led to values that have little meaning, yet are applied with great confidence, for example, to a terrestrial mantle at "IW-2". Although fO2 can be circumvented in some cases by consideration of Fe-M distribution coefficient, these do not eliminate the effects of alloy or silicate liquid compositional variation, or the specific chemical effects of S in the silicate liquid, for example. In order to address the issue of what the actual value of fO2 is in any given experiment, we have calculated fO2 from the equilibria 2Fe (metal) + SiO2 (liq) + O2 = Fe2SiO4 (liq).

  2. Iron-Titanium Oxides and Oxygen Fugacities in Volcanic Rocks

    Microsoft Academic Search

    I. S. E. Carmichael; J. Nicholls

    1967-01-01

    It is shown that in silicate liquids the ferric-ferrous equilibrium is controlled by temperature, oxygen fugacity, and the composition of the liquid, particularly its alkali content. Thus, if the iron-titanium oxide minerals that precipitate from a silicate liquid reflect the ferricferrous equilibrium, the oxygen geobarometer of Buddington and Lindsley will have to be calibrated, especially for such volcanics as phonolites

  3. Europium in silicate glasses at different oxygen fugacity

    NASA Astrophysics Data System (ADS)

    Cicconi, Maria Rita; Giuli, Gabriele; Paris, Eleonora; Ertel-Ingrisch, Werner; Ulmer, Peter; Dingwell, Donald B.

    2010-05-01

    Synthetic silicate glasses corresponding to compositions relevant for the Earth sciences were used to study the dependence of the redox states of a Rare Earth Element (Eu) on the bulk melt composition and at different values of oxygen fugacity (from air to IW-2). Rare Earth Elements (REE) have demonstrated to be important geochemical indicators; in fact, the distribution of REE in igneous rocks are frequently used to constrain the mineralogy of the source materials, the degree to which magma composition has been modified by crystal fractionation, and to identify the mineral phases removed from the magma during differentiation. Moreover, the variation of the Eu+2/(Eu+2 + Eu+3) ratio can be used to determine the oxygen fugacity conditions prevailing during mineral formation. As the Eu+2/Eu+3 buffer is located at very low oxygen fugacity, the Eu+2/(Eu+2 + Eu+3) ratio can be used to constrain the formation conditions within a very large range of oxygen fugacity down to few log units below the Fe/FeO buffer. The Eu+2/(Eu+2 + Eu+3) ratio is therefore very useful in the study of meteoritic material and in studying planetary evolution. The samples have been analyzed via Eu LIII-edge X-ray Absorption Spectroscopy (XAS) to study the Eu oxidation state and environment. Eu LIII-edge XANES peak analysis allowed the semi-quantitative assessment of Eu redox ratio; literature data report a difference of 7 - 8 eV between Eu+2 and Eu+3 in the experimental spectra and this energy shift is evident enough to well differentiate between the two oxidation states and to determine the Eu oxidation state in the glasses under investigation. Moreover, the Eu LIII-edge EXAFS data allowed to determine the structural environment around divalent and trivalent europium in the studied glasses. A complete understanding of transition and REE elements is important for the geochemical and petrological interpretations of magmatic processes and partition properties between melt and crystals.

  4. Variations in Oxygen Fugacity among Forearc Peridotites from the Tonga Trench

    NASA Astrophysics Data System (ADS)

    Birner, S.; Warren, J. M.; Cottrell, E.; Lopez, O. G.; Davis, F. A.; Falloon, T.

    2013-12-01

    The Tonga subduction zone is an extension-dominated, non-accreting convergent plate margin in the South Pacific, characterized by rapid slab rollback [1]. It is unusual among subduction zones in that forearc peridotites, thought to be pieces of lithospheric mantle originating from the overriding plate, have been dredged from the trench. These spinel peridotites appear in dredges along almost 1000 km of the trench's length, from near the Samoa hotspot in the north to the Louisville seamounts in the south, and have been dredged from 4-9 km depth. The samples are very depleted, consisting entirely of dunites and harzburgites, with no observed lherzolites. Low modal abundances of orthopyroxene and high spinel Cr# (Cr/(Cr+Al)) also indicate large degrees of melt extraction. While some samples have been variably altered by hydrothermal processes, a large fraction of them are remarkably unaltered, making them ideal targets for geochemical investigation. Oxygen fugacity is an important geochemical control on phase stability, the composition of volatiles, and the position of the mantle solidus, thus rendering it critical to the understanding of mantle processes. Previous studies have suggested that subduction zone processes result in arc magmas with increased oxygen fugacity (fO2) relative to ridge magmas [2], but few direct observations of mantle wedge fO2 are available. In order to investigate the oxygen fugacity of the Tonga peridotites, mineral major element compositions were determined via electron microprobe. Fe3+/?Fe ratios were calculated for the spinel phase, calibrated with spinel standards of known Fe3+/?Fe ratio provided by B.J. Wood to the Smithsonian following the procedure of Lopez et al [3]. Oxygen fugacity was calculated according to the olivine-orthopyroxene-spinel oxybarometer method of Wood et al. [4]. Results from five dredges along approximately 600 km of trench showed oxygen fugacity values of 1 log unit above the QFM buffer, compared to the global ridge peridotite average of QFM -1. A sixth dredge from the middle of the sample area showed significantly more reduced values of QFM -2. Interactions with oxidized fluids in the mantle wedge have been proposed as a mechanism for oxidizing forearc peridotites relative to ridge peridotites. The additional observation of small length-scale variations in fO2 suggests that the interaction of fluids with the mantle is not a pervasive process, leading to the observed heterogeneity in oxygen fugacity values. [1] Wright et al., Marine Geophys Res (2000); [2] Kelley et al., Science (2009); [3] Lopez et al., EOS Transactions, T51D-2632 (2012); [4] Wood et al., Science (1990).

  5. Experimental Constraints on the Cr Content, Oxygen Fugacity, and Petrogenesis of EETA79001 Lithology A

    NASA Technical Reports Server (NTRS)

    Herd, C. D. K.; Jones, J. H.; Papike, J. J.

    2000-01-01

    Experiments involving the composition of the groundmass of EETA79001 Lithology A constrain the Cr content of the melt and the oxygen fugacity, and suggest that overgrowth of olivine and pyroxene from the groundmass onto xenocrysts has occurred.

  6. Intrinsic oxygen fugacity measurements of some Allende Type B inclusions

    SciTech Connect

    Kozul, J.M.; Hewins, R.H. (Rutgers, The State Univ. of New Jersey, New Brunswick (USA)); Ulmer, G.C. (Temple Univ., Philadelphia, PA (USA))

    1988-11-01

    Intrinsic oxygen fugacity (IOF) measurements for whole rock samples of two Type B Ca-, Al-rich inclusions (CAI) from the Allende meteorite show them to be 6-8 orders of magnitude more oxidized than the canonical solar nebular gas. Melilite separates from the two CAI give IOF measurements 8-9 orders of magnitude more oxidized than the solar nebular gas. Melilite crystallized in a reducing solar gas and later underwent a solid-state oxidation. Vacancies due to crystallization in a reducing solar gas and an open crystal structure were filled, probably through an O diffusion mechanism, during equilibration at temperatures higher than 700{degree}C with an oxidized gas. O-rich vapors released from an unaltered Vigarano inclusion during high-temperature volatilization may have caused oxidation of fassaite and possibly melilite in the inclusion and this may be a mechanism for oxidation in Allende inclusions. IOF measurements of fine-grained alteration/rim minerals in one Type B inclusion yield an oxidation state more oxidized than the whole rock CAI but more reduced than melilite from the same inclusion. Disequilibrium between melilite and alteration minerals with respect to fO{sub 2} may seem unlikely in light of their similar O isotope compositions but recent O isotope measurements of an unaltered Vigarano CAI indicate that melilite exchange O with the nebula without being altered. Allende melilites isotope exchange may involve CO but its oxidation requires a source of O which might also supply the Na, Fe, Cl, etc. of the alteration minerals. Whether the oxidation of melilite actually occurred with its alteration is unknown.

  7. The effect of oxygen fugacity on the solubility of carbon-oxygen fluids in basaltic melt

    NASA Technical Reports Server (NTRS)

    Pawley, Alison R.; Holloway, John R.; Mcmillan, Paul F.

    1992-01-01

    The solubility of CO2-CO fluids in a midocean ridge basalt have been measured at 1200 C, 500-1500 bar, and oxygen fugacities between NNO and NNO-4. In agreement with results of previous studies, the results reported here imply that, at least at low pressures, CO2 dissolves in basaltic melt only in the form of carbonate groups. The dissolution reaction is heterogeneous, with CO2 molecules in the fluid reacting directly with reactive oxygens in the melt to produce CO3(2-). CO, on the other hand, is insoluble, dissolving neither as carbon, molecular CO, nor CO3(2-). It is shown that, for a given pressure and temperature, the concentration of dissolved carbon-bearing species in basaltic melt in equilibrium with a carbon-oxygen fluid is proportional to the mole fraction of CO2 in the fluid, which is a function of fO2. At low pressures CO2 solubility is a linear function of CO2 fugacity at constant temperatures.

  8. Oxygen diffusion in olivine: Effect of oxygen fugacity and implications for creep

    SciTech Connect

    Ryerson, F. J.; Durham, W. B.; Cherniak, D. J.; Lanford, W. A.

    1989-04-10

    Oxygen self-diffusion experiments on single crystals of San Carlosolivine (/similar to/Fo/sub 92/) at 1200/degree/less than or equal to/ital T/less than or equal to1400 /degree/C, oxygen fugacities(/ital f//sub O2/) along the Ni-NiO and Fe-FeO buffers, and silica activityat the olivine-orthopyroxene buffer yielded results that follow therelationship /ital D/=2.6/times/10/sup /minus/10//ital f/ /sub O2//sup 0.21+-0.03/ exp (/minus/266+-11)(kJ mol/sup /minus/1///ital RT/), where/ital D/ is the diffusion coefficient in m/sup 2/ s/sup /minus/1/ and /ital f//sub O2/ is givenin pascals. The activation energy compares reasonably well with results forpure forsterite. The positive dependence of /ital f//sub O/sub 2// implies that theoxygen defect responsible for diffusion is an interstitial rather than a morestericaly reasonable oxygen vacancy. Diffusion of oxygen in other close-packedoxides has also shown a positive dependence on /ital f//sub O2/. The rate ofcreep of single-crystal olivine at fixed orthopyroxene activity also showsa positive /ital f//sub O2/ dependence. If oxygen interstitials should be shown tobe unimportant in oxygen diffusion in oxides, then coupled mechanisms such ascountervacancy diffusion must be appealed to in order to explain the positive/ital f//sub O2/ dependence. Such processes are rate-limited by the diffusion ofmetal vacancies which also display a positive /ital f//sub O2/ dependence inolivine. Compared with data for silicon diffusion in forsterite, our dataindicate that oxygen is not the slowest diffusing species in olivine.

  9. The speciation of carbon in the Earth's mantle as a function of oxygen fugacity

    NASA Astrophysics Data System (ADS)

    Stagno, Vincenzo; Frost, Daniel J.; McCammon, Catherine

    2010-05-01

    The residence time of carbon in the mantle depends crucially on the conditions under which it is stable within melts or fluids, compared with conditions under which it forms solid phases. At a given pressure and temperature the stability of carbonate- bearing minerals and melts (carbonatites and kimberlites) relative to graphite/diamond depends on oxygen fugacity. In this study, the oxygen fugacity buffered by equilibria involving both elemental carbon (graphite or diamond) and carbonate (minerals or melts) were determined in a simplified Fe-Ca-Mg-Si-O-C model peridotite composition at pressures between 2.5 and 25 GPa and temperatures at and above the carbonated peridotite solidus (1100-1600°C). Oxygen fugacities were measured using iridium-iron alloy as a sliding redox sensor. Above the carbonate peridotite solidus the silicate component of the melt increases with increasing temperature. The results show that this dilution of the carbonate melt with increasing temperature drives the equilibrium oxygen fugacity down compared to the extrapolation of carbon/carbonate equilibrium from previous studies. In addition we have performed experiments in the Fe-Ca-Mg-Al-Si-O-C system to determine the Fe3+ content of garnet at an oxygen fugacity buffered by the carbon-carbonate equilibria in a peridotite assemblage. The ferric iron contents of the garnet in the run products were determined by 57Moessbauer spectroscopy. The results from these experiments allow the redox conditions of carbon and carbonate stability to be compared directly to the expected Fe3+/Fetot ratios of mantle rocks. Further experiments were performed at pressures compatible with the Earth's mid lower mantle (approximately 50 GPa) and 1600-1700 °C using sintered diamond anvils. Such runs allowed us to estimate the likely redox conditions occurring in the lower mantle at which elemental carbon (diamond) might be equilibrated with carbonate, ferropericlase and a metal phase. Our results imply that: (1) in up-welling mantle beneath mid-ocean ridges, the relative oxygen fugacity of peridotitic rocks will increase on decompression. Diamond and then graphite are the dominant C-bearing phases at depth, but become oxidized by ferric Fe in garnet as a result of decompression. Only once graphite is oxidized, which will occur at relatively shallow depths, can small degree carbonate-rich melts form; (2) measurements of Fe3+/?Fe ratios of garnets in equilibrium with graphite and carbonate are inconsistent with extrapolations of previously published oxythermobarometers; (3) the effect of pressure on the carbonate/carbon buffer indicates that the diamond stability field may not persist deep into the lower mantle, with carbonates being the stable host for carbon, probably in equilibrium with Fe-Ni carbide.

  10. Technical Update: Johnson Space Center system using a solid electrolytic cell in a remote location to measure oxygen fugacities in CO/CO2 controlled-atmosphere furnaces

    NASA Technical Reports Server (NTRS)

    Jurewicz, A. J. G.; Williams, R. J.; Le, L.; Wagstaff, J.; Lofgren, G.; Lanier, A.; Carter, W.; Roshko, A.

    1993-01-01

    Details are given for the design and application of a (one atmosphere) redox-control system. This system differs from that given in NASA Technical Memorandum 58234 in that it uses a single solid-electrolytic cell in a remote location to measure the oxygen fugacities of multiple CO/CO2 controlled-atmosphere furnaces. This remote measurement extends the range of sample-furnace conditions that can be measured using a solid-electrolytic cell, and cuts costs by extending the life of the sensors and by minimizing the number of sensors in use. The system consists of a reference furnace and an exhaust-gas manifold. The reference furnace is designed according to the redox control system of NASA Technical Memorandum 58234, and any number of CO/CO2 controlled-atmosphere furnaces can be attached to the exhaust-gas manifold. Using the manifold, the exhaust gas from individual CO/CO2 controlled atmosphere furnaces can be diverted through the reference furnace, where a solid-electrolyte cell is used to read the ambient oxygen fugacity. The oxygen fugacity measured in the reference furnace can then be used to calculate the oxygen fugacity in the individual CO/CO2 controlled-atmosphere furnace. A BASIC computer program was developed to expedite this calculation.

  11. FirefOx — An Oxygen Fugacity Sensor for Venus

    NASA Astrophysics Data System (ADS)

    Izenberg, N. R.; Papadakis, S. J.; Monica, A. H.; Deglau, D. M.

    2015-04-01

    FirefOx is a small, simple primary sensor for the quantitative assessment of partial pressure of oxygen in the lower atmosphere of Venus, to help quantify the surface's oxidation state and stable mineralogy.

  12. Measurement of oxygen fugacities under reducing conditions: non-Nernstian behavior of Y 2O 3-doped zirconia oxygen sensors

    Microsoft Academic Search

    R. A. MENDYBAEV; J. R. BECKETT; E Stolper; L. GROSSMAN

    1998-01-01

    A calibration procedure is presented for the use of a Y2O3-stabilized zirconia (YSZ) oxygen sensor in 1 atm gas-mixing furnaces in the temperature range 1200–1500°C and 0–8 orders of magnitude below the iron-wüstite (IW) buffer. Corrections to the Nernst equation were obtained by measuring apparent oxygen fugacities of gases in equilibrium with graphite (equilibrated with pure CO vapor), Cr +

  13. Metal-silicate partitioning of nickel and cobalt: The influence of temperature and oxygen fugacity

    Microsoft Academic Search

    Christopher J. Capobianco; Anders A. Amelin

    1994-01-01

    We report new metal-silicate melt partitioning experiments for Co and Ni. One atmosphere, gas-mixing (H 2 CO 2 or CO-CO 2 ) experiments were run at 1300, 1425, and 1550°C and at oxygen fugacities between air and near or below the iron-wüstite (IW) buffer. Bulk melt composition, at the diopsideanorthite-forsterite eutectic, was constant in all runs. Metals in these experiments

  14. Vanadium Stable Isotope Variations in the Mariana Island Arc: Oxygen Fugacity Versus Magmatic Differentiation

    Microsoft Academic Search

    J. Prytulak; T. Elliott; A. Halliday; K. A. Kelley; S. G. Nielsen; T. Plank; E. A. Schauble

    2010-01-01

    A widely held view in igneous geochemistry is that the sub-arc mantle has elevated oxygen fugacity (fO2) compared to the upper mantle source of Mid-Ocean Ridge basalts (MORB). However, debate on the fO2 of the sub-arc mantle has arisen from examination of V\\/Sc ratios [1], which suggest no difference between the sub-arc mantle and the MORB source. This supposition is

  15. Oxidation state of iron in hydrous mantle phases: implications for subduction and mantle oxygen fugacity

    Microsoft Academic Search

    C. A. McCammona; D. J. Frost; J. R. Smyth; H. M. S. Laustsen; T. Kawamotoc; N. L. Ross; P. A. van Akene

    2004-01-01

    Samples of olivine, wadsleyite, ringwoodite and majorite with Mg\\/(Mg+Fe)=0.85–0.90 were synthesised at high pressure and temperature using a multianvil press under nominally anhydrous conditions as well as hydrous conditions with varying conditions of oxygen fugacity, and examined ex situ using Mössbauer spectroscopy to determine Fe3+\\/?Fe, and either Fourier Transform Infrared Spectroscopy or Secondary Ion Mass Spectrometry to determine H concentration.

  16. The evolution of aqueous vapor from silicate melts: Effect on oxygen fugacity

    NASA Astrophysics Data System (ADS)

    Candela, Philip A.

    1986-06-01

    The simplest possible aqueous vapor evolved from an iron-bearing magma under normal conditions is an H 2O-H 2 mixture. Hydrogen is produced by the oxidation of Fe(II) to Fe(III) by water in the magma yielding an increase in fo2. Equations are derived which model this mass transfer process. The resulting differential equation expresses the change in magmatic fo2 as a function of a change in N 1h 2O , the vapor evolution progress variable. The calculations demonstrate that in this simple scheme, very iron-poor magmas ( H 2O /FeO < 10) are required to produce significant increases in magmatic fo2. The incremental increase in o2 during vapor evolution becomes progressively smaller as o2 increases, with this process becoming highly inefficient as the hematite stability field is approached. Other more complete processes involving meteoric water, assimilation of altered rocks and subsolidus processes may produce the observed increase in fo2 inferred to have occurred in systems of normal iron contents. In low-iron systems such as the high silica rhyolitic magmas associated with Climax-type porphyry molybdenum systems, high oxygen fugacities may be obtained by this mechanism.

  17. Electrochemical manipulation of apparent oxygen fugacity in a piston cylinder apparatus

    NASA Astrophysics Data System (ADS)

    Kavner, A.; Newville, M.; Sutton, S.; Walker, D.; Wheeler, K.

    2002-12-01

    Phase stability of mineral assemblages and their physical properties, especially transport properties, are influenced by oxygen fugacity. Redox effects in earth and planetary systems at high pressure include setting of ferric/ferrous iron ratios [controlling the electrical conductivity of crustal and mantle materials] and possible chemical reactions at the Earth's core-mantle boundary. Experimental controls of oxygen fugacity in high-pressure devices have been limited to discrete electrochemical potentials set by buffers such as C-CO, Ni-NiO, and QFM. By contrast, an electric field applied across a silicate sample inside a piston cylinder apparatus establishes a smoothly-varying electrochemical gradient that can be quantified and tied to the oxygen fugacity scale through synchrotron microXANES of polyvalent V and Fe within the silicate. Fugacity gradient samples were synthesized in a modified Boyd-England piston-cylinder configuration. Platinum electrodes were placed at both ends of a 2-mm cylinder of basaltic composition silicate glass containing ~5% Fe and ~2% V. The sample assembly was surrounded by MgO ceramic, sheathed within a Mo faraday sleeve to insulate the sample from the AC field of the heater, and placed within a 0.5 inch diameter pressure vessel. The assembly was sintered at 800°C for 72 hours to eliminate porosity in the MgO capsule, and then heated to 1400°C for 23 hrs at 10 kbar. At high temperature, a 1V potential difference was applied across the electrodes via an external power supply. The sample was then quenched, potted in epoxy, and polished to a thickness of ~30 ?m, and analyzed via optical and scanning electron microscopy. Vanadium, with oxidation states of 0 and +II to +V, was used as a chemical marker to evaluate the absolute value of the fO2 conditions across the silicate sample. Synchrotron-based microXANES techniques at GSECARS at the Advanced Photon Source in Argonne, IL were used to measure the pre-edge peak height at the vanadium absorption edge, as a function of distance between the anodic and cathodic electrodes of the recovered piston cylinder experiments. The intensity of the pre-edge peaks varied greatly across the sample, from ~5% near the cathode end to ~70% of the absorption edge level adjacent to the anode. The systematic increase in the pre-edge peak was calibrated to the vanadium valence state and oxygen fugacity by comparison with vanadium microXANES spectra obtained for synthetic komatiite charges (known fO2; Canil 1997) and basaltic glasses (known fO2 and oxidation state; Schreiber 1987). The average vanadium oxidation state varies monotonically from +2.5 at the cathode (reducing) electrode to +4.5 at the anode (oxidizing) electrode, corresponding to an oxygen fugacity varying from -11 to -5 (log units) from cathode to anode. The sample appears reddish at the anode (oxidizing) end and grayer at the cathode (reducing) end, due in part to reducing the iron ferric/ferrous ratio from anode to cathode, in harmony with the V results. In summary, the application of an electric field creates an oxygen fugacity continuum in high-pressure apparati.

  18. Using vanadium in spinel as a sensor of oxygen fugacity in meteorites: Applications to Mars, Vesta, and other asteroids.

    SciTech Connect

    Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Le, L.; Newville, M. (Jacobs Engineering); (NASA JSC); (Hamilton Sundstrand); (UC)

    2009-03-23

    Some meteorites do not contain mineral assemblages required to apply traditional oxy-barometers. Here we introduce a technique using vanadium X-ray absorption features in spinels to characterize the oxygen fugacity of meteoritic dunites, pyroxenites, and chondrites. Igneous and metamorphic rocks commonly contain a mineral assemblage that allows oxygen fugacity to be calculated or constrained such as FeTi oxides, olivine-opx-spinel, or some other oxybarometer. Some rocks, however, contain a limited mineral assemblage and do not provide constraints on fO{sub 2} using mineral equilibria. Good examples of the latter are orthopyroxenites or dunites, such as diogenites, ALH 84001, chassignites, or brachinites. In fact it is no surprise that the fO{sub 2} of many of these samples is not well known, other than being 'reduced' and below the metal saturation value. In order to bridge this gap in our understanding, we have initiated a study of V in chromites in natural meteorite samples. Because the V pre-edge peak intensity and energy in chromites varies with fO{sub 2}, and this has been calibrated over a large fO{sub 2} range, we can apply this relation to rocks for which we otherwise have no fO{sub 2} constraints.

  19. A system using solid ceramic oxygen electrolyte cells to measure oxygen fugacities in gas-mixing systems

    NASA Technical Reports Server (NTRS)

    Williams, R. J.; Mullins, O.

    1976-01-01

    Details are given for the construction and operation of a 101.3 kN/sq m (1 atmosphere) redox control system. A solid ceramic oxygen electrolyte cell is used to monitor the oxygen fugacity in the furnace. The system consists of a vertical quench, gas mixing furnace with heads designed for mounting the electrolyte cell and with facilities for inserting and removing the samples. The system also contains the high input impedance electronics necessary for measurements, a simplified version of a gas mixing apparatus, and devices for experiments under controlled rates of change relative to temperature and redox state. The calibration and maintenance of the system are discussed.

  20. Geochronology and magmatic oxygen fugacity of the Tongcun molybdenum deposit, northwest Zhejiang, SE China

    NASA Astrophysics Data System (ADS)

    Qiu, Jun-Ting; Yu, Xin-Qi; Santosh, M.; Zhang, De-Hui; Chen, Shuai-Qi; Li, Peng-Ju

    2013-06-01

    The Tongcun Mo porphyry deposit in northwest Zhejiang is hosted in three porphyry units: Huangbaikeng, Songjiazhuang, and Tongcun, from southwest to northeast. U-Pb zircon ages of 162 ± 3.0 Ma for the Huangbaikeng porphyry, 159.9 ± 3.0 Ma for the Songjiazhuang porphyry, and 167.6-155.6 Ma for the Tongcun porphyry indicate that these intrusions formed during the Jurassic and are most likely associated with the northwestward subduction of the Izanagi Plate. Trace element compositions of zircons from the Tongcun deposit constrain the oxygen fugacity ( fO2) of the magma using zircon Ce anomalies and Ti-in-zircon temperatures. The average magmatic fO2 for the porphyries in the Tongcun deposit is fayalite-magnetite-quartz (FMQ) + 2.7, which is similar to the Shapinggou (FMQ + 3.2) and Dabaoshan (FMQ + 3.5) Mo porphyry deposits, but much higher than that of the reduced Cretaceous ore-barren Shangjieshou porphyry (FMQ-1.1) around 8 km away from the Tongcun deposit. The distinct difference in magmatic oxygen fugacity between the Jurassic and Cretaceous porphyries may help to explain the absence of Mo porphyry mineralization in northwest Zhejiang during the Cretaceous.

  1. Ultra-oxidized redox conditions in subduction mélanges? Decoupling between oxygen fugacity and oxygen availability in a metasomatic environment

    NASA Astrophysics Data System (ADS)

    Tumiati, Simone; Poli, Stefano; Godard, Gaston; Martin, Silvana; Malaspina, Nadia

    2014-05-01

    The manganese ore of Praborna (Italian Western Alps) is embedded within a metasedimentary sequence belonging to a subduction mélange equilibrated at high-pressure conditions (~2 GPa) during the Alpine orogenesis and record environmental conditions typical for a subducting slab setting. The pervasive veining of the ore and the growth of "pegmatoid" HP minerals suggest an open system with large fluid/rock ratio and a strong interaction with slab-derived fluids. This natural case provides an excellent natural laboratory for the study of the oxygen mobility in subducting oceanic slab mélanges at high-P, fluid-present conditions. The Mn-rich rocks in contact with the underlying sulphide- and magnetite-bearing metabasites, in textural and chemical equilibrium with the veins, contain braunite (Mn2+Mn3+6SiO12) + quartz + pyroxmangite (Mn2+SiO3), and minor hematite, omphacite, the epidote piemontite and spessartine-rich garnet. Similarly to Fe-bearing systems, Mn oxides and silicates can be regarded as natural redox-sensors, capable to monitor a process of fluid infiltration that could fix externally the intensive variable fO2 (or ?O2). Sulphides are absent in these Mn-rich rocks, sulphates (barite, celestine) occurring instead together with As- and Sb oxides and silicates. On the basis of the observed assemblages, new thermodynamic calculations show that these mélange rocks are characterized by unrealistic ultra-oxidized states (?FMQ up to +12) if the chemical potential of oxygen (or the oxygen fugacity) is accounted for. However, if the molar quantity of oxygen in excess with reference to with reference to a system where all iron and manganese are considered to be ferrous, the ore appears only moderately oxidized, and comparable to typical subduction-slab mafic eclogites. Therefore, oxygen can be hardly considered a perfectly mobile component, even in the most favourable conditions. In the Earth's interior redox reactions take place mainly among solid oxides and silicates, as oxygen is a negligible species in the fluid phase, if any. Therefore, the description of the redox state of petrological systems requires the introduction of the conjugate oxygen molar quantity, becoming the oxygen chemical potential a dependent variable. As a consequence, µO2, and therefore fO2, should not be regarded as long-range properties, indicative of the redox state of the entire rock column of a subduction zone, from the dehydrating oceanic crust to the overlying mantle wedge. On a more general basis, the comparison of fO2s retrieved from different bulk compositions and different phase assemblages may lead to apparent redox heterogeneities. On the contrary, the distribution of oxygen is expected to be much more continuous moving from a maximum in the subducted mafic eclogites, formed from the altered oceanic basalts and gabbros, down (upward) to a minimum in the peridotites of the mantle hanging-wall.

  2. melt is independent of oxygen fugacity, since the oxidation state of carbon in both coexisting phases is the same.

    E-print Network

    Nedimoviæ, Mladen R.

    phases for storing carbon in the mantle6,7 , if it is not dissolved in silicate minerals. CO2 reacts of the global carbon cycle. If traces of carbon were stored as a solid solution in olivine, releasing largemelt is independent of oxygen fugacity, since the oxidation state of carbon in both coexisting

  3. Magma Ocean Depth and Oxygen Fugacity in the Early Earth—Implications for Biochemistry

    NASA Astrophysics Data System (ADS)

    Righter, Kevin

    2015-06-01

    A large class of elements, referred to as the siderophile (iron-loving) elements, in the Earth's mantle can be explained by an early deep magma ocean on the early Earth in which the mantle equilibrated with metallic liquid (core liquid). This stage would have affected the distribution of some of the classic volatile elements that are also essential ingredients for life and biochemistry - H, C, S, and N. Estimates are made of the H, C, S, and N contents of Earth's early mantle after core formation, considering the effects of variable temperature, pressure, oxygen fugacity, and composition on their partitioning. Assessment is made of whether additional, exogenous, sources are required to explain the observed mantle concentrations, and areas are identified where additional data and experimentation would lead to an improved understanding of this phase of Earth's history.

  4. Magma Ocean Depth and Oxygen Fugacity in the Early Earth-Implications for Biochemistry.

    PubMed

    Righter, Kevin

    2015-09-01

    A large class of elements, referred to as the siderophile (iron-loving) elements, in the Earth's mantle can be explained by an early deep magma ocean on the early Earth in which the mantle equilibrated with metallic liquid (core liquid). This stage would have affected the distribution of some of the classic volatile elements that are also essential ingredients for life and biochemistry - H, C, S, and N. Estimates are made of the H, C, S, and N contents of Earth's early mantle after core formation, considering the effects of variable temperature, pressure, oxygen fugacity, and composition on their partitioning. Assessment is made of whether additional, exogenous, sources are required to explain the observed mantle concentrations, and areas are identified where additional data and experimentation would lead to an improved understanding of this phase of Earth's history. PMID:26037825

  5. Viscosity of carbonate-rich melts under different oxygen fugacity conditions

    NASA Astrophysics Data System (ADS)

    Di Genova, Danilo; Hess, Kai-Uwe; Cimarelli, Corrado; Dingwell, Donald B.

    2015-04-01

    Viscosity is a fundamental property of many materials and its changes affects the fluid dynamics of natural system as well as industrial processes. The mobility of carbonatitic melts, which are carbonate-rich and very fluid melts, has attracted renewed interest in both earth science and industry. In fact, these melts are considered the main transport agent of carbon from the mantle to the crust and may be intimately linked to the generation of kimberlites. At the same time lithium, potassium and sodium carbonate are used as electrolytes in molten carbonate fuel cells which operate at high temperatures (~650° C) for the production of electricity without CO2 emissions. Accurate measurement of the transport property (i.e. viscosity) of carbonatitic melts is a priority in order to understand the carbonatite mobility and reaction rates. Additionally, obtaining accurate viscosity measurements of such low viscosity melts is however an experimental challenge due to volatility, very low torques and chemical melt instability in the viscometer. To overcome these limitations we have customized a Modular Compact Rheometer (MCR 502 from Anton Paar) ad hoc equipped with 2 narrow gap concentric-cylinder geometries of steel and Pt-Au. The rheometer is characterized by an air-bearing-supported synchronous motor with torque ranging between 0.01 ?Nm and 230 mNm (resolution of 0.1 nNm), achieving very low viscosity measurements in the order of mPa s, temperatures up to 1000° C and shear rates ranging between 1 and 100 sec-1. These experimental conditions well match the temperature-viscosity-shear rate window relevant for carbonate melts. Here we present the calibration of the rheometer and the results of a rheological characterization study on a series of very low viscous synthetic and natural carbonatitic melts at different oxygen fugacity (air and CO2 saturated atmosphere). Viscosity measurements on carbonate melts have been performed in the temperature range between ~650 and 1000° C. Measured values range between ~2 and 20 mPa sec. The results point out that the viscosity of synthetic samples is inversely related to the cations radius, being Li2CO3 melt the more viscous. Viscosity measurements on natural samples (carbonatitic lava from Lengai volcano, Tanzania), reveal a higher viscosity (~1000 mPa s) and a dramatic higher activation energy than the synthetic samples. Our results have been compared with literature data in order to determine the effect of chemical composition and oxygen fugacity conditions on the liquid viscosity of carbonatitic melts.

  6. Oxidation state of vanadium in glass and olivine from terrestrial and Martian basalts: Implications for oxygen fugacity estimates

    SciTech Connect

    Karner, J.M.; Sutton, S.R.; Papike, J.J.; Shearer, C.K.; Newville, M. (Univ New Mexico); (UC)

    2005-04-22

    Several studies have demonstrated the usefulness of synchrotron micro x-ray absorption near-edge structure ({mu}-XANES or SmX) spectroscopy in determining the oxidation state of elements in planetary materials. Delaney et al. used SmX to investigate the oxidation states of Fe, Cr, and V in extraterrestrial samples, and they later determined the oxidation state of V in experimental glasses as a function of oxygen fugacity. More recently, Sutton et al. studied the oxidation state of V in meteoritic fassaite and also in synthetic pyroxene. This report discusses our first results using SmX spectroscopy to determine the oxidation state of V in olivine and glass from a terrestrial ocean floor (OF) basalt and a martian basaltic shergottite meteorite, Dar Al Gani 476. The goal of this and future studies is to use V (and Cr, Fe) valence states to determine the oxygen fugacity of basalts from different planetary bodies.

  7. Oxygen fugacity regime in the upper mantle as a reflection of the chemical differentiation of planetary materials

    Microsoft Academic Search

    A. A. Kadik

    2006-01-01

    Oxygen fugacity (fO2) in the Earth’s mantle has a bearing on the problems of the chemical differentiation of the Earth’s materials and formation\\u000a of the chemical and phase state of its shells. This paper addresses some problems concerning changes in the redox state of\\u000a the upper mantle over geologic time and through its depth and the possible influence of fO2

  8. Solubility of CO 2 in a Ca-rich leucitite: effects of pressure, temperature, and oxygen fugacity

    Microsoft Academic Search

    Yves Thibault; John R. Holloway

    1994-01-01

    The solubility of carbon dioxide in a Ca-rich leucitite has been investigated as a function of pressure (0.1–2.0 GPa), temperature (1200–1600°C), and oxygen fugacity. The experiments were done in a rapid-quench internally-heated pressure vessel (0.1 GPa) and a piston cylinder (0.5–2.0 GPa). The leucitite glass, previously equilibrated at NNO, and silver oxalate were loaded in Fe-doped Pt capsules (oxidized conditions)

  9. Oxygen Fugacity at High Pressure: Equations of State of Metal-Oxide Pairs

    NASA Technical Reports Server (NTRS)

    Campbell A. J.; Danielson, L.; Righter, K.; Wang, Y.; Davidson, G.; Wang, Y.

    2006-01-01

    Oxygen fugacity (fO2) varies by orders of magnitude in nature, and can induce profound changes in the chemical state of a substance, and also in the chemical equilibrium of multicomponent systems. One prominent area in high pressure geochemistry, in which fO2 is widely recognized as a principal controlling factor, is that of metal-silicate partitioning of siderophile trace elements (e.g., [1]). Numerous experiments have shown that high pressures and temperatures can significantly affect metal/silicate partitioning of siderophile and moderately siderophile elements. Parameterization of these experimental results over P, T, X, and fO2 can allow the observed siderophile element composition of the mantle to be associated with particular thermodynamic conditions [2]. However, this is best done only if quantitative control exists over each thermodynamic variable relevant to the experiments. The fO2 values for many of these partitioning experiments were determined relative to a particular metal-oxide buffer (e.g., Fe-FeO (IW), Ni-NiO (NNO), Co-CoO, Re-ReO2 (RRO)), but the parameterization of all experimental results is weakened by the fact that the pressure-induced relative changes between these buffer systems are imprecisely known.

  10. Using Vanadium in Spinel as a Sensor of Oxygen Fugacity in Meteorites: Applications to Mars, Vesta, and Other Asteroids

    NASA Technical Reports Server (NTRS)

    Righter, K.; Sutton, S.; Danielson, L.; Le, L.; Newville, M.; Pando, K.

    2009-01-01

    Igneous and metamorphic rocks commonly contain a mineral assemblage that allows oxygen fugacity to be calculated or constrained such as FeTi oxides, olivine-opx-spinel, or some other oxybarometer [1]. Some rocks, however, contain a limited mineral assemblage and do not provide constraints on fO2 using mineral equilibria. Good examples of the latter are orthopyroxenites or dunites, such as diogenites, ALH 84001, chassignites, or brachinites. In fact it is no surprise that the fO2 of many of these samples is not well known, other than being "reduced" and below the metal saturation value. In order to bridge this gap in our understanding, we have initiated a study of V in chromites in natural meteorite samples. Because the V pre-edge peak intensity and energy in chromites varies with fO2 (Fig. 1) [2], and this has been calibrated over a large fO 2 range, we can apply this relation to rocks for which we otherwise have no fO2 constraints.

  11. The Oxidation State of Fe in MORB Glasses and the Oxygen Fugacity of the Upper Mantle

    SciTech Connect

    E Cottrell; K Kelley

    2011-12-31

    Micro-analytical determination of Fe{sup 3+}/{Sigma}Fe ratios in mid-ocean ridge basalt (MORB) glasses using micro X-ray absorption near edge structure ({mu}-XANES) spectroscopy reveals a substantially more oxidized upper mantle than determined by previous studies. Here, we show that global MORBs yield average Fe{sup 3+}/{Sigma}Fe ratios of 0.16 {+-} 0.01 (n = 103), which trace back to primary MORB melts equilibrated at the conditions of the quartz-fayalite-magnetite (QFM) buffer. Our results necessitate an upward revision of the Fe{sup 3+}/{Sigma}Fe ratios of MORBs, mantle oxygen fugacity, and the ferric iron content of the mantle relative to previous wet chemical determinations. We show that only 0.01 (absolute, or < 10%) of the difference between Fe{sup 3+}/{Sigma}Fe ratios determined by micro-colorimety and XANES can be attributed to the Moessbauer-based XANES calibration. The difference must instead derive from a bias between micro-colorimetry performed on experimental vs. natural basalts. Co-variations of Fe{sup 3+}/{Sigma}Fe ratios in global MORB with indices of low-pressure fractional crystallization are consistent with Fe{sup 3+} behaving incompatibly in shallow MORB magma chambers. MORB Fe{sup 3+}/{Sigma}Fe ratios do not, however, vary with indices of the extent of mantle melting (e.g., Na{sub 2}O(8)) or water concentration. We offer two hypotheses to explain these observations: The bulk partition coefficient of Fe{sup 3+} may be higher during peridotite melting than previously thought, and may vary with temperature, or redox exchange between sulfide and sulfate species could buffer mantle melting at {approx} QFM. Both explanations, in combination with the measured MORB Fe{sup 3+}/{Sigma}Fe ratios, point to a fertile MORB source with greater than 0.3 wt.% Fe{sub 2}O{sub 3}.

  12. Correction of Holloway's (1977) adaptation of the modified Redlich-Kwong equation of state for calculation of the fugacities of molecular species in supercritical fluids of geologic interest

    Microsoft Academic Search

    George C. Flowers

    1979-01-01

    Consideration of constraints imposed on fugacity coefficients by the Gibbs-Duhem equation and those inherent in the Redlich-Kwong equation of state (Redlich and Kwong, 1949) and its modification by de Santis et al. (1974) indicates that Holloway's (1977) adaptation of the Redlich-Kwong equation for calculating fugacity coefficients of molecular species in gas mixtures is in error. Revised calculations using the correct

  13. Partition coefficients for iron between plagioclase and basalt as a function of oxygen fugacity - Implications for Archean and lunar anorthosites

    NASA Technical Reports Server (NTRS)

    Phinney, W. C.

    1992-01-01

    As a prelude to determinations of the content of total iron as FeO(T) in melts in equilibrium with calcic anorthosites, the partition coefficients (Ds) for FeO(T) between calcic plagioclase and basaltic melt were determined, as a function of oxygen fugacity (f(O2)), for a basaltic composition that occurs as matrices for plagioclase megacrysts. Results showed that, at the liquidus conditions, the value of D for FeO(T) between calcic plagioclase and tholeiitic basalt changed little (from 0.030 to 0.044) between the very low f(O2) of the iron-wustite buffer and that of the quartz-fayalite-magnetite (QFM) buffer. At fugacities above QFM, the value for D increased rapidly to 0.14 at the magnetite-hematite buffer and to 0.33 in air. The increase in D results from the fact that, at f(O2) below QFM, nearly all of the Fe is in the Fe(2+) state; above QFM, the Fe(3+)/Fe(2+) ratio in the melt increases rapidly, causing more Fe to enter the plagioclase which accepts Fe(3+) more readily than Fe(2+).

  14. VALENCE OF Ti AND V IN FASSAITE: A RECORDER OF OXYGEN FUGACITY DURING CRYSTALLIZATION OF COARSE-GRAINED REFRACTORY INCLUSIONS. S. B. Simon1

    E-print Network

    Grossman, Lawrence

    VALENCE OF Ti AND V IN FASSAITE: A RECORDER OF OXYGEN FUGACITY DURING CRYSTALLIZATION OF COARSE., The University of Chicago, Chicago, IL 60637, USA (sbs8@midway.uchicago.edu). Introduction. Fassaite (Ti-, Al, which are found in CV3 carbonaceous chondrites. Both Ti and V are compatible in this phase during

  15. Technical Update: Johnson Space Center system using a solid electrolytic cell in a remote location to measure oxygen fugacities in CO\\/CO2 controlled-atmosphere furnaces

    Microsoft Academic Search

    A. J. G. Jurewicz; R. J. Williams; L. Le; J. Wagstaff; G. Lofgren; A. Lanier; W. Carter; A. Roshko

    1993-01-01

    Details are given for the design and application of a (one atmosphere) redox-control system. This system differs from that given in NASA Technical Memorandum 58234 in that it uses a single solid-electrolytic cell in a remote location to measure the oxygen fugacities of multiple CO\\/CO2 controlled-atmosphere furnaces. This remote measurement extends the range of sample-furnace conditions that can be measured

  16. Oxygen fugacity determined from iron oxidation state in natural (Mg,Fe)O ferropericlase: new insights for lower mantle diamond formation

    NASA Astrophysics Data System (ADS)

    Longo, M.; McCammon, C.; Bulanova, G.; Kaminsky, F. V.; Tappert, R.

    2009-12-01

    The most common mineral found in diamonds originating in the lower mantle is (Mg,Fe)O ferropericlase (more than 50 percent of occurrences). Since it is well known that the Fe3+ concentration in (Mg,Fe)O is sensitive to oxygen fugacity, even at high pressures, the determination of Fe3+ over Fe total in such inclusions provides a direct method for investigating lower mantle redox conditions during diamond formation. Therefore, the goal of this study is to measure Fe3+ using a new method, namely the flank method (EMPA) in (Mg,Fe)O lower mantle diamond inclusions from a wide range of sites worldwide in order to explore the variation of oxygen fugacity with chemical, physical and geographic parameters. Eighteen (Mg,Fe)O ferropericlase inclusions from ultra deep diamonds selected worldwide (four from Juina area, Brazil, two from Machado River, Brazil, and twelve from Ororoo, Australia) were analyzed by the flank method. Inclusions were all less than 50 microns in size. Our results follow the theoretical trend described by the synthetic samples, confirming high phase homogeneity for most of the samples. Flank method measurements show a large range of redox conditions for (Mg,Fe)O inclusions, with a Fe3+ over Fe total ratio varying between 1 and 15 percent, similar to results for a suite of much larger diameter inclusions that were studied using Mössbauer spectroscopy. Inclusions recovered from the same host diamond show a strong redox gradient, which leads to the conclusion of varying oxygen fugacity conditions involved in the formation of the inclusions. These observations combined with the geographical correlation observed among all inclusions measured in the present work and from previous studies in literature leads to the suggestion of other mechanisms than subducted slabs being involved in diamond formation. In order to provide insights on the mechanisms controlling the redox conditions at lower mantle depths and how a heterogeneous oxygen fugacity may affect the physical and chemical properties of the lower mantle, new measurements are planned to increase the data set on ferropericlase inclusions. Moreover, a multi disciplinary study involving cathodoluminescence studies combined to isotopic and optical studies is suggested for further work.

  17. Copper Partitioning between Amphibole and Silicate Melts: the Effects of Temperature, Melt Compositions, Oxygen Fugacity and Water Concentrations

    NASA Astrophysics Data System (ADS)

    Hsu, Y. J.; Zajacz, Z.; Ulmer, P.; Heinrich, C. A.

    2014-12-01

    Porphyry copper deposits commonly occur in arc-related settings where ore-metals are transported by magmas from the mantle wedge to shallow depths, and subsequently partition into the exsolving volatile phase. The partitioning of Cu between crystallizing silicate, oxide and sulfide minerals, sulfide melts and magmatic volatiles will determine the efficiency of Cu transfer into the magmatic-hydrothermal system. Understanding the Cu partitioning behavior between crystallizing mineral phases and silicate melt during crystallization fractionation is therefore fundamentally important. Among the crystallizing phases, amphibole is stable across a wide pressure (P) - temperature (T) range in hydrous arc magmas. Therefore, if the partition coefficients of Cu between amphibole and silicate melts are well constrained, the measured variation of Cu concentrations in natural amphibole crystals can be used to reconstruct the evolution of the Cu concentration in the silicate melt. In this study, a series of experiments were conducted by piston cylinder apparatus over a wide range of melt compositions (andesitic to rhyolitic) to determine the amphibole/melt partition coefficient of Cu. The experiments were run at T = 740 - 990 °C, P = 0.7 GPa, and oxygen fugacity (fO2) between NNO +0.75 and NNO +2. The metal activities were imposed by using Au97Cu3 and Au92Cu8 alloy capsules. The apparent Cu solubilities in both the silicate melt and amphibole phases decrease with decreasing temperature. The Cu concentrations in a dacite melt increase approximately by factor of 3 while fO2 increases from NNO +0.75 to NNO +2. However, the amphibole/melt partition coefficient of Cu remains nearly constant at a value of 0.067 ± 0.013 (1 ?), indicating that the partitioning of Cu is not significantly affected by melt composition, fO2 and water concentrations. Therefore, determination of Cu concentrations in amphiboles may be a suitable tool to monitor the evolution of the Cu budget of ore-related magma reservoirs during magma evolution in porphyry cooper systems. In addition, our results showed that Cu is always incompatible in amphibole; therefore, occasionally measured high Cu concentrations in amphibole are likely an artifact of the presence of submicroscopic sulfide inclusions.

  18. An experimental study of H solubility in feldspars: Effect of composition, oxygen fugacity, temperature and pressure and implications for crustal processes

    NASA Astrophysics Data System (ADS)

    Yang, Xiaozhi

    2012-11-01

    A series of experiments, with run durations of ?100-240 h, have been carried out on H solubility in natural labradorite, albite and anorthoclase at 2-10 kbar and 700-850 °C, in equilibrium with different oxygen buffer materials: Fe-FeO, Ni-NiO, Re-ReO2 and Fe2O3-Fe3O4. Attainment of equilibrium water contents were examined by conducting experiments with different run-durations and by performing profile analysis along crystal core-to-rim paths. The annealed products generally show typical OH-related infrared absorption bands in the range 3700-2600 cm-1: the spectra of the labradorite and anorthoclase are dominated by broad bands at ?3300-3100 cm-1, while the spectra of the albite consist of broad bands at ?3100-3000 cm-1 and sharp bands at ?3600-3400 cm-1. The measured H solubility, ranging from ?80 to 285 ppm H2O, differs greatly between the feldspars with different chemical compositions, depends strongly on oxygen fugacity, and increases with increasing temperature and pressure. The H solubility is significantly higher, e.g., by a factor of ?3 or even more, at very reducing conditions than at oxidizing conditions. The high H solubility of feldspar at reduced conditions indicates that, at least locally, the Earth’s ancient deep continental crust was probably more hydrous than the modern one. Crustal dehydration can be caused by a change of oxygen fugacity and a corresponding change of water solubility in the constituent feldspar under isothermal conditions, without the requirement of high temperature and/or additional heat sources.

  19. Theoretical phase relations involving cordierite and garnet revisited: the influence of oxygen fugacity on the stability of sapphirine and spinel in the system Mg-Fe-Al-Si-O

    NASA Astrophysics Data System (ADS)

    Hensen, B. J.

    1986-09-01

    The theoretical P-T grid for stability relations of the phases cordierite (Cd), sapphirine (Sa), hypersthene (Hy), garnet (Ga), spinel (Sp), sillimanite (Si), and quartz (Qz) of Hensen (1971), has proved useful in the interpretation of metamorphic mineral assemblages formed at low oxygen fugacity. Both experimental data and evidence from natural rocks indicate that at high oxygen fugacity compatability relations change as a result of the enlargement of the stability field of spinel, which causes a topological inversion and the stabilisation of the invariant points [Sa], [Ga], and [Cd]. This implies the stable existence of the univariant equilibria (forf_{{text{O}}_{text{2}} } buffered conditions): Sp+Qz=Ga+Hy+Si+O2 (Sa, Cd), Cd+Sp+Qz=Hy+Si+O2 (Sa, Ga) and Sa+Sp+Qz=Hy+Si+O2 (Ga, Cd) and the divariant reaction: Sp+Qz=Hy+Si+O2 (Sa, Ga, Cd). These redox equilibria are restricted to conditions of high oxygen fugacity. The proposed theoretical P-T grids, for both low and high oxygen fugacity, satisfactorily explain all experimental data and metamorphic mineral assemblages so far found in granulites.

  20. The Mineralogical Record of Oxygen Fugacity Variation and Alteration in Northwest Africa 8159: Evidence for Interaction Between a Mantle Derived Martian Basalt and a Crustal Component(s)

    NASA Technical Reports Server (NTRS)

    Shearer, Charles K.; Burger, Paul V.; Bell, Aaron S.; McCubbin, Francis M.; Agee, Carl; Simon, Justin I.; Papike, James J.

    2015-01-01

    A prominent geochemical feature of basaltic magmatism on Mars is the large range in initial Sr isotopic ratios (approx. 0.702 - 0.724) and initial epsilon-Nd values (approx. -10 to greater than +50). Within this range, the shergottites fall into three discreet subgroups. These subgroups have distinct bulk rock REE patterns, mineral chemistries (i.e. phosphate REE patterns, Ni, Co, V in olivine), oxygen fugacity of crystallization, and stable isotopes, such as O. In contrast, nakhlites and chassignites have depleted epsilon-Nd values (greater than or equal to +15), have REE patterns that are light REE enriched, and appear to have crystallized near the FMQ buffer. The characteristics of these various martian basalts have been linked to different reservoirs in the martian crust and mantle, and their interactions during the petrogenesis of these magmas. These observations pose interesting interpretive challenges to our understanding of the conditions of the martian mantle (e.g. oxygen fugacity) and the interaction of mantle derived magmas with the martian crust and surface. Martian meteorite NWA 8159 is a unique fine-grained augite basalt derived from a highly depleted mantle source as reflected in its initial epsilon-Nd value, contains a pronounced light REE depleted pattern, and crystallized presumably under very oxidizing conditions. Although considerably older than both shergottites and nahklites, it has been petrogenetically linked to both styles of martian magmatism. These unique characteristics of NWA 8159 may provide an additional perspective for deciphering the petrogenesis of martian basalts and the nature of the crust of Mars.

  1. Oxygen fugacity of mare basalts and the lunar mantle application of a new microscale oxybarometer based on the valence state of vanadium

    SciTech Connect

    Shearer, C.K.; Karner, J.; Papike, J.J.; Sutton, S.R. (UofC); (Univ. of New Mexico)

    2004-05-25

    Using the valence state of vanadium on a microscale in lunar volcanic glasses we have developed another approach to estimating the oxygen fugacity of mare basalts. The ability to estimate oxygen fugacities for mare basalts and to extend these observations to the lunar mantle is limited using bulk analysis techniques based on buffering assemblages or the valence state of iron. These limitations are due to reequilibration of mineral assemblages at subsolidus conditions, deviations of mineral compositions from thermodynamic ideality, size requirements, and the limits of the iron valence at very low fO{sub 2}. Still, these approaches have been helpful and indicate that mare basalts crystallized at fO{sub 2} between the iron-wuestite buffer (IW) and the ilmenite breakdown reaction (ilmenite = rutile + iron). It has also been inferred from these estimates that the lunar mantle is also highly reduced lying at conditions below IW. Generally, these data cannot be used to determine if the mare basalts become increasingly reduced during transport from their mantle source and eruption at the lunar surface and if there are differences in fO{sub 2} among mare basalts or mantle sources. One promising approach to determining the fO2 of mare basalts is using the mean valence of vanadium (2+, 3+, 4+, 5+) determined on spots of a few micrometers in diameter using synchrotron x-ray absorption fine structure (XAFS) spectroscopy. The average valence state of V in basaltic glasses is a function of fO{sub 2}, temperature, V coordination, and melt composition. Here, we report the initial results of this approach applied to lunar pyroclastic glasses.

  2. Oxygen Fugacity of Mare Basalts and the Lunar Mantle Application of a New Microscale Oxybarometer Based on the Valence State of Vanadium

    NASA Technical Reports Server (NTRS)

    Shearer, C. K.; Karner, J.; Papike, J. J.; Sutton, S. R.

    2004-01-01

    The ability to estimate oxygen fugacities for mare basalts and to extend these observations to the lunar mantle is limited using bulk analysis techniques based on buffering assemblages or the valence state of iron. These limitations are due to reequilibration of mineral assemblages at subsolidus conditions, deviations of mineral compositions from thermodynamic ideality, size requirements, and the limits of the iron valence at very low fO2. Still, these approaches have been helpful and indicate that mare basalts crystallized at fO2 between the iron-w stite buffer (IW) and the ilmenite breakdown reaction (ilmenite = rutile + iron). It has also been inferred from these estimates that the lunar mantle is also highly reduced lying at conditions below IW. Generally, these data cannot be used to determine if the mare basalts become increasingly reduced during transport from their mantle source and eruption at the lunar surface and if there are differences in fO2 among mare basalts or mantle sources. One promising approach to determining the fO2 of mare basalts is using the mean valence of vanadium (2+, 3+, 4+, 5+) determined on spots of a few micrometers in diameter using synchrotron x-ray absorption fine structure (XAFS) spectroscopy. The average valence state of V in basaltic glasses is a function of fO2, temperature, V coordination, and melt composition. Here, we report the initial results of this approach applied to lunar pyroclastic glasses.

  3. PII S0016-7037(98)00212-9 Measurement of oxygen fugacities under reducing conditions: Non-Nernstian behavior of

    E-print Network

    Grossman, Lawrence

    involved are adequately char- acterized. Yttrium oxide- (YSZ) and calcium oxide-doped (CSZ) zirconia oxygen directly the free energy of oxidation reactions (Kiuk- kola and Wagner, 1957; O'Neill et al., 1989; Pratt to use solid oxide electrolytes at elevated pressures (Woermann et al., 1982; Ja- cob and Iwase, 1983

  4. The stability of sapphirine + quartz in magnetite-bearing high oxygen fugacity granulites: a case study of the Madurai Block (Southern India) and the Inner Mongolia Suture Zone (North China)

    NASA Astrophysics Data System (ADS)

    Shimizu, H.; Tsunogae, T.; Santosh, M.

    2012-04-01

    Sapphirine has been the focus of many petrological investigations for the last two decades as the mineral often occurs in Mg-Al rich and pelitic rocks formed at high temperature to ultrahigh temperature (UHT). Particularly, sapphirine coexisting with quartz is considered as one of the most diagnostic mineral assemblages of UHT metamorphism. It is also known that sapphirine often occurs in magnetite-bearing high oxygen fugacity rocks, and, in such cases, the mineral can incorporate considerable quantity of ferric iron as well as Fe2+. It is therefore important to evaluate the effect of Fe3+ content on the stability of sapphirine-bearing assemblages for estimating peak conditions as well as constructing P-T paths. In this study, we evaluated the stability of sapphirine + quartz in magnetite-bearing high-oxygen fugacity rocks in UHT granulites from India (Madurai Block in the southern granulite terrane) and China (Inner Mongolia Suture Zone) using mineral equilibrium modeling technique, and constructed P-T paths of the areas. The calculations have been done in NCKFMASHTO system using THERMOCALC 3.33 with an updated version of the internally consistent data set. The Madurai Block is the largest granulite block in the Southern Granulite Terrane, India, which was formed by collisional orogeny related to the assembly of the Gondwana Supercontinent. The block contains granulites with various UHT mineral assemblages including sapphirine + quartz, orthopyroxene + sillimanite + quartz, and Al-rich orthopyroxene. Quartzo-feldspathic garnet-sillimanite granulites from Rajapalaiyam area in the southern part of the block, for example, contain sapphirine + quartz inclusion in garnet as a stable mineral assemblage at the peak of metamorphism. The calculated T-X pseudosections suggest that the stability temperature of sapphirine + quartz is lowered from 1000°C at reduced condition (XFe2O3 = 0.02) to 910°C at oxidized condition (XFe2O3 = 1.0). The Inner Mongolia Suture Zone within the North China Block rarely contains sapphirine-bearing UHT granulites. Tuguiwula area within the suture zone contains coarse-grained sapphirine granulites. Although both sapphirine and quartz occur quartzo-feldspathic layers of the rocks, the two minerals are separated by thin film of sillimanite. This indicates sapphirine was in equilibrium with quartz at prograde or peak metamorphic conditions and separated during retrograde metamorphism. The T-X pseudosection of the rocks indicate that the stability field of sapphirine + quartz lowered in more oxidized condition (T > 1050°C at XFe2O3 = 0.1 to T > 920°C at XFe2O3 = 0.9). The results of this study demonstrated that the occurrence of sapphirine + quartz in UHT rocks is strongly controlled by the oxidation state of the rocks. Lowering of the stability field of sapphirine + quartz by increasing XFe2O3 ratio was also confirmed for UHT granulites from the Madurai Block and the Inner Mongolia Suture Zone.

  5. P-T-Fluid evolution and graphite deposition during retrograde metamorphism in Ribeira Fold Belt, SE Brazil: Oxygen fugacity, fluid inclusions and C-O-H isotopic evidence

    NASA Astrophysics Data System (ADS)

    Bento dos Santos, Telmo M.; Munhá, José M. U.; Tassinari, Colombo C. G.; Noronha, Fernando M.; Guedes, Alexandra; Fonseca, Paulo E.; Neto, Coriolano Dias; Dória, Armanda

    2011-02-01

    Combined fluid inclusion (FI) microthermometry, Raman spectroscopy, X-ray diffraction, C-O-H isotopes and oxygen fugacities of granulites from central Ribeira Fold Belt, SE Brazil, provided the following results: i) Magnetite-Hematite ƒO2 estimates range from 10-11.5 bar (QFM +1) to 10-18.3 bar (QFM -1) for the temperature range of 896 °C-656 °C, implying ƒO2 decrease from metamorphic peak temperatures to retrograde conditions; ii) 5 main types of fluid inclusions were observed: a) CO2 and CO2-N2 (0-11 mol%) high to medium density (1.01-0.59 g/cm3) FI; b) CO2 and CO2-N2 (0-36 mol%) low density (0.19-0.29 g/cm3) FI; c) CO2 (94-95 mol%)-N2 (3 mol%)-CH4 (2-3 mol%)-H2O (water ?v (25 °C) = 0.1) FI; d) low-salinity H2O-CO2 FI; and e) late low-salinity H2O FI; iii) Raman analyses evidence two graphite types in khondalites: an early highly ordered graphite (T?450 °C) overgrown by a disordered kind (T?330 °C); iv) ?18O quartz results of 10.3-10.7‰ imply high-temperature CO2 ?18O values of 14.4-14.8‰, suggesting the involvement of a metamorphic fluid, whereas lower temperature biotite ?18O and ?D results of 7.5-8.5‰ and -54 to -67‰, respectively imply H2O ?18O values of 10-11‰ and ?DH2O of -23 to -36‰, suggesting ?18O depletion and increasing fluid/rock ratio from metamorphic peak to retrograde conditions. Isotopic results are compatible with low-temperature H2O influx and ƒO2 decrease that promoted graphite deposition in retrograde granulites, simultaneous with low density CO2, CO2-N2 and CO2-N2-CH4-H2O fluid inclusions at T = 450-330 °C. Graphite ?13C results of -10.9 to -11.4‰ imply CO2 ?13C values of -0.8 to -1.3‰, suggesting decarbonation of Cambrian marine carbonates with small admixture of lighter biogenic or mantle derived fluids. Based on these results, it is suggested that metamorphic fluids from the central segment of Ribeira Fold Belt evolved to CO2-N2 fluids during granulitic metamorphism at high ƒO2, followed by rapid pressure drop at T?400-450 °C during late exhumation that caused ƒO2 reduction induced by temperature decrease and water influx, turning carbonic fluids into CO2-H2O (depleting biotite ?18O and ?D values), and progressively into H2O. When ƒO2 decreased substantially by mixture of carbonic and aqueous fluids, graphite deposited forming khondalites.

  6. Effects of temperature, silicate melt composition, and oxygen fugacity on the partitioning of V, Mn, Co, Ni, Cu, Zn, As, Mo, Ag, Sn, Sb, W, Au, Pb, and Bi between sulfide phases and silicate melt

    NASA Astrophysics Data System (ADS)

    Li, Yuan; Audétat, Andreas

    2015-08-01

    In order to assess the role of sulfide in controlling the ore metal budgets and fractionation during magmatic genesis and differentiation, the partition coefficients (D) of V, Mn, Co, Ni, Cu, Zn, As, Mo, Ag, Sn, Sb, W, Au, Pb, and Bi between sulfide liquid (SL), monosulfide solid solution (MSS), and basaltic to rhyolitic melts (SM) were determined at 900-1200 °C, 0.5-1.5 GPa, and oxygen fugacity (fO2) ranging from ?FMQ-2 to FMQ+3, in a piston-cylinder apparatus. The DSL/SM values range from 0.4 to 2 for V, 0.5 to 3 for Mn, 80 to 580 for Co, 2300 to 18,000 for Ni, 800 to 4600 for Cu, 1 to 11 for Zn, 20 to 180 for As, 4 to 230 for Mo, 450 to 1600 for Ag, 5 to 24 for Sn, 10 to 80 for Sb, 0.03 to 0.16 for W, 2000 to 29,000 for Au, 24 to 170 for Pb, and 830 to 11,000 for Bi; whereas the DMSS/SM values range from 0.04 to 10 for V, 0.5 to 10 for Mn, 70 to 2500 for Co, 650 to 18,000 for Ni, 280 to 42,000 for Cu, 0.1 to 80 for Zn, 0.2 to 30 for As, 1 to 820 for Mo, 20 to 500 for Ag, 0.2 to 220 for Sn, 0.1 to 40 for Sb, 0.01 to 24 for W, 10 to 2000 for Au, 0.03 to 6 for Pb, and 1 to 350 for Bi. Both DMSS/SM and DSL/SM values generally increase with decreasing temperature or decreasing FeOtot content in silicate melt, except for Mo, DMSS/SM and DSL/SM of which show a clear decrease with decreasing temperature. At given temperature and FeOtot content, high oxygen fugacity appears to lead to a significant decrease in DMSS/SM of Au, Bi, Mo, and potentially As. The partitioning data obtained experimentally in this study and previous studies were fitted to an empirical equation that expresses the DMSS/SM and/or DSL/SM of a given element as a function of temperature, oxygen fugacity, and FeOtot content of the silicate melt: log (DSL/SMorDMSS/SM = d + a · 10, 000 / T + b · (?FMQ) + c · log (FeOmelt) in which T is temperature in K, FeOmelt denotes wt% FeOtot in silicate melt, and ?FMQ denotes log fO2 relative to the fayalite-magnetite-quartz (FMQ) oxygen buffer. The application of this equation to natural samples of basaltic to rhyolitic composition yields DMSS/SM and DSL/SM values that agree with the measured values within ±0.5 log units for most of the elements, indicating the validity of the application of this equation to natural systems. Our partitioning data imply that sulfide liquid saturation in low-temperature intermediate to felsic melts causes a strong depletion in Cu, Au, Bi, and potentially Ag in the silicate melt, whereas MSS saturation may cause a depletion in Cu and potentially Au. Other elements including W, Zn, As, Mo, Sn, Sb, and Pb are much less or not affected by the saturation of sulfide liquid or MSS. These results place important constrains on the potential of magmas in forming porphyry-type ore deposits and the origin of the observed variability in metal ratios in porphyry-type ore deposits.

  7. A New Spinel-Olivine Oxybarometer: Near-Liquidus Partitioning of V between Olivine-Melt, Spinel-Melt, and Spinel-Olivine in Martian Basalt Composition Y980459 as a Function of Oxygen Fugacity

    NASA Technical Reports Server (NTRS)

    Papike, J. J.; Le, L.; Burger, P. V.; Shearer, C. K.; Bell, A. S.; Jones, J.

    2013-01-01

    Our research on valence state partitioning began in 2005 with a review of Cr, Fe, Ti, and V partitioning among crystallographic sites in olivine, pyroxene, and spinel [1]. That paper was followed by several on QUE94201 melt composition and specifically on Cr, V, and Eu partitioning between pyroxene and melt [2-5]. This paper represents the continuation of our examination of the partitioning of multivalent V between olivine, spinel, and melt in martian olivine-phyric basalts of Y980459 composition [6, 7]. Here we introduce a new, potentially powerful oxybarometer, V partitioning between spinel and olivine, which can be used when no melt is preserved in the meteorite. The bulk composition of QUE94201 was ideal for our study of martian pyroxene-phyric basalts and specifically the partitioning between pyroxene-melt for Cr, V, and Eu. Likewise, bulk composition Y980459 is ideal for the study of martian olivine-phyric basalts and specifically for olivine-melt, spinel-melt, and spinel-olivine partitioning of V as a function of oxygen fugacity.

  8. Transport of Pb and Zn by carboxylate complexes in basinal ore fluids and related petroleum-field brines at 100°C: the influence of pH and oxygen fugacity

    PubMed Central

    Giordano, Thomas H

    2002-01-01

    It is well established through field observations, experiments, and chemical models that oxidation (redox) state and pH exert a strong influence on the speciation of dissolved components and the solubility of minerals in hydrothermal fluids. log –pH diagrams were used to depict the influence of oxygen fugacity and pH on monocarboxylate- and dicarboxylate-transport of Pb and Zn in low-temperature (100°C) hydrothermal ore fluids that are related to diagenetic processes in deep sedimentary basins, and allow a first-order comparison of Pb and Zn transport among proposed model fluids for Mississippi Valley-type (MVT) and red-bed related base metal (RBRBM) deposits in terms of their approximate pH and conditions. To construct these diagrams, total Pb and Zn concentrations and Pb and Zn speciation were calculated as a function of log and pH for a composite ore-brine with concentrations of major elements, total sulfur, and total carbonate that approximate the composition of MVT and RBRBM model ore fluids and modern basinal brines. In addition to acetate and malonate complexation, complexes involving the ligands Cl-, HS-, H2S, and OH- were included in the model of calculated total metal concentration and metal speciation. Also, in the model, Zn and Pb are competing with the common-rock forming metals Ca, Mg, Na, Fe, and Al for the same ligands. Calculated total Pb concentration and calculated total Zn concentration are constrained by galena and sphalerite solubility, respectively. Isopleths, in log –pH space, of the concentration of Pb and concentration of Zn in carboxylate (acetate + malonate) complexes illustrate that the oxidized model fluids of T. H. Giordano (in Organic Acids in Geological Processes, ed. E. D. Pittman and M. D. Lewan, Springer-Verlag, New York, 1994, pp. 319–354) and G. M. Anderson (Econ. Geol., 1975, 70, 937–942) are capable of transporting sufficient amounts of Pb (up to 10 ppm) and Zn (up to 100 ppm) in the form of carboxylate complexes to form economic deposits of these metals. On the other hand, the reduced ore fluid models of D. A. Sverjensky (Econ. Geol., 1984, 79, 23–37) and T. H. Giordano and H. L. Barnes (Econ. Geol., 1981, 76, 2200–2211) can at best transport amounts of Pb and Zn, as carboxylate complexes, that are many orders of magnitude below the 1 to 10 ppm minimum required to form economic deposits. Lead and zinc speciation (mol% of total Pb or Zn) in the model ore fluid was calculated at specific log –pH conditions along the 100, 0.01, and 0.001 ppm total Pb and total Zn isopleths. Along the 100 ppm isopleth conditions are oxidized (?SO4 >> ?H2S) with Pb and Zn predominantly in the form of chloride complexes under acid to mildly alkaline conditions (pH from 3 to approximately 7.5), while hydroxide complexes dominate Pb and Zn speciation under more alkaline conditions. Sulfide complexes are insignificant under these oxidized conditions. For more reduced conditions along the 0.01 and 0.001 ppm isopleths chloride complexes dominate Pb and Zn speciation in the SO42- field and near the SO42--reduced sulfur boundary from pH = 4 to approximately 7.5, while hydroxide complexes dominate Pb and Zn speciation under alkaline conditions above pH = 7.5 in the SO42- field. In the most reduced fluids (?H2S >> ?SO4) along the 0.01 and 0.001 isopleths, sulfide complexes account for almost 100% of the Pb and Zn in the model fluid. Acetate (monocarboxylate) complexation is significant only under conditions of chloride and hydroxide complex dominance and its effect is maximized in the pH range 5 to 7, where it complexes 2 to 2.6% of the total Pb and 1 to 1.25% of the total Zn. Malonate (dicarboxylate) complexes are insignificant along all isopleths. The speciation results from this study show that deep formation waters characterized by temperatures near 100°C, high oxidation states and ?H2S < 0.03 mg L-1 ( < 10-6), high chlorinities (~ 100000 mg L-1), and high but reasonable concentrations of carboxyla

  9. Theoretical calculation of oxygen isotope fractionation factors in carbonate systems

    Microsoft Academic Search

    Thomas Chacko; Peter Deines

    2008-01-01

    Using established methods of statistical mechanical calculation and a recent compilation of vibrational frequency data, we have computed oxygen isotope reduced partition function ratios (? values) for a large number of carbonate minerals. The oxygen isotope ? values of carbonates are inversely correlated to both the mass and radius of the cation bonded to the carbonate anion but neither correlation

  10. Calculation of oxygen isotope fractionation in metal oxides

    SciTech Connect

    Yongfei Zheng (Goettingen Univ. (Germany))

    1991-08-01

    A theoretical model calculating the thermodynamic isotope factors of oxygen in metal oxides of geochemcial interest is presented for temperatures between 0 and 1200C on the basis of the modified increment method. The following order of [sup 18]O-enrichment is obtained: cassiterite [gt] rutile [gt] magnetite [gt] ilmenite [gt] ulvoespinel [gt] hematite [gt] uraninite [gt] chromite [gt] corundum [gt] spinel. The results are expressed as 10[sup 3] ln [alpha] = A [times] 10[sup 6]/T[sup 2] + B [times] 10[sup 3]/T + C, which compare well with existing theoretical, experimental, and empirical calibrations on quartz-oxides and oxides-water systems. The present calculations enable not only estimation of the oxygen isotope composition of fluids from which the metal oxides were precipitated when independent temperature information is available, but can also be applied as oxygen isotope geothermometers to igneous and metamorphic rocks.

  11. CO2-related explosive alkaline magmatism in Gusev crater, Mars: Implications for oxygen fugacity and carbon inventory in the Noachian Martian mantle (Invited)

    NASA Astrophysics Data System (ADS)

    Usui, T.; McSween, H. Y.; Clark, B. C.

    2010-12-01

    The Mars Exploration Rover Spirit has encountered volcanic and volcaniclastic rocks having diverse alkaline compositions in the Noachian-age (~3.8-4.5 Ga) Gusev crater. Among them, we focus on Wishstone Class tephrites which have pyroclastic textures and are unusually enriched in incompatible elements (e.g. >5 wt% P2O5) with low silica contents. The high-phosphorous tephrite signature is not attributable to secondary aqueous alteration but represents an igneous rock composition. Moreover, these high-P2O5 whole-rock compositions cannot readily be explained by fractionation of other magmas in Gusev. We show that the high-P2O5 whole-rock compositions plot above solubility curves of merrillite (Ca-phosphate) in a diagram of P2O5 versus aluminosity, suggesting that mechanical admixture of merrillite is required. A source supplying merrillite cannot be a common silicate magma; instead, it could be a carbonatitic. Considering the pyroclastic textures of Wishstone Class and their geologic context, we propose that the Wishstone Class represents an alkaline-rich igneous rock suite that has mechanically mixed xenocrystic merrillites, probably during explosive volcanic eruption; the merrillites crystallized from carbonatitic melt produced by melting of a carbon-bearing Martian mantle. It has been debated whether CO2 was the effective greenhouse gas in the early Mars. To maintain persistent liquid water on the Martian surface, several bars pressure of CO2 is required, which is approximately three orders of magnitude higher than that on present-day Mars. In contrast, other greenhouse gases (e.g. methane) have been proposed, because no large carbonate deposits or significant atmospheric loss that accounts for the early CO2-rich atmosphere have been observed. Moreover, a recent thermodynamic calculation suggests that, under the redox state of the Martian meteorite source mantle (IW to IW+1), transport of CO2 to the Martian atmosphere has been quite limited and may not be sufficient to account for the greenhouse conditions. Our study suggests that, at least beneath Gusev crater, carbon should have resided in the Martian mantle. Moreover, the Martian mantle should have been enough oxidized (~QFM) that the carbon could have existed as carbonatitic melt instead of graphite or diamond. This is consistent with the redox state of Gusev basalts (~QFM) estimated by the Mossbauer spectrometer. We conclude that the Martian mantle would have been already oxidized in the Noachian era within a billion years after the core formation that requires a reducing redox condition (~IW-2). This could provide a new constraint on the important unsolved issue regarding what timeframe mantle oxidation could have occurred during the early stage of the formation of terrestrial planets such as Mars and the Earth.

  12. Fugacity of H2O from 0° to 350°C at the liquid-vapor equilibrium and at 1 atmosphere

    USGS Publications Warehouse

    Hass, John L., Jr.

    1970-01-01

    The fugacity and fugacity coefficient of H2O at the liquid-vapor equilibrium, the fugacity and the Gibbs free energy of formation of H2O at 1 atm (1.01325 bars) total pressure have been calculated from published data on the physical and thermodynamic properties of H2O and are presented at ten-degree intervals from 0° to 350°C.

  13. Comparison of measured and calculated thermospheric molecular oxygen densities

    NASA Technical Reports Server (NTRS)

    Potter, W. E.; Kayser, D. C.; Brinton, H. C.; Brace, L. H.; Oppenheimer, M.

    1977-01-01

    The open source neutral mass spectrometers on the AE-C, -D, and -E satellites were equipped with a 'fly-through' mode of operation which has provided direct measurements of molecular oxygen densities over a large portion of the globe. A complementary set of O2 densities is derived by using AE ion measurements and a scheme based on the daytime ion chemistry of O2(+) in the thermosphere. A comparison of the two data sets reveals general agreement over northern latitudes during periods of relatively low Ap and F10.7. The simplifying assumptions made in the photochemical scheme require that caution be used in calculating O2, especially at high latitudes and altitudes below 200 km

  14. Theoretical calculation of oxygen isotope fractionation factors in carbonate systems

    NASA Astrophysics Data System (ADS)

    Chacko, Thomas; Deines, Peter

    2008-08-01

    Using established methods of statistical mechanical calculation and a recent compilation of vibrational frequency data, we have computed oxygen isotope reduced partition function ratios ( ? values) for a large number of carbonate minerals. The oxygen isotope ? values of carbonates are inversely correlated to both the mass and radius of the cation bonded to the carbonate anion but neither correlation is good enough to be used as a precise and accurate predictor of ? values. There is an approximately 0.6% relative increase in the ? values of aragonite per 10 kbar increase in pressure. These estimates of the pressure effect on ? values are broadly similar to those deduced previously for calcite using the methods of mineral physics. In comparing the ? values of our study with those derived recently from first-principles lattice dynamics calculations, we find near-perfect agreement for calcite and witherite (<0.3% deviation), reasonable agreement for dolomite (<0.9% deviation) and somewhat poorer agreement for aragonite and magnesite (1.5-2% deviation). In the system for which we have the most robust constraints, CO 2-calcite, there is excellent agreement between our calculations and experimental data over a broad range of temperatures (0-900 °C). Similarly, there is good to excellent correspondence between calculation and experiment for most other low to moderate atomic mass carbonate minerals (aragonite to strontianite). The agreement is not as good for high atomic mass carbonates (witherite, cerussite, otavite). In the case of witherite and cerussite, the discrepancy may be due, in part, to our calculation methodology, which does not account for the effect of cation mass on the magnitude of vibrational frequency shifts associated with heavy isotope substitution. However, the calculations also reveal an incompatibility between the high- and low-temperature experimental datasets for witherite and cerussite. Specifically, the shapes of fractionation factor versus 1/ T2 curves in the calcite-witherite and calcite-cerussite systems do not conform to the robust constraints on the basic shape of these curves provided by theory. This suggests that either the high- or low-temperature datasets for both minerals is in error. Dolomite-calcite fractionation factors derived from our calculations fall within the wide range of fractionations for this system given by previous experimental and natural sample studies. However, our compilation of available low-temperature (25-80 °C) experimental data reveal an unusual temperature dependence of fractionations in this system; namely, the data indicate an increase in the magnitude of fractionations between dolomite (or proto-dolomite) and calcite with increasing temperature. Such a trend is incompatible with theory, which stipulates that fractionations between carbonate minerals must decrease monotonically with increasing temperature. We propose that the anomalous temperature dependence seen in the low-temperature experimental data reflect changes in the crystallinity and degree of cation ordering of the dolomite phase over this temperature interval and the effect these changes have on the vibrational frequencies of dolomite. Similar effects may be present in natural systems at low-temperature and must be considered in applying experimental or theoretical fractionation data to these systems. In nearly all cases, carbonate mineral-calcite fractionation factors given by the present calculations are in as good or better agreement with experimental data than are fractionations derived from semi-empirical bond strength methods.

  15. Control of the Water Fugacity Under High Pressures and Temperatures: Applications to the Water Solubility in Olivine

    NASA Astrophysics Data System (ADS)

    Otsuka, K.; Karato, S.

    2009-12-01

    Previous experimental studies have shown significant influence of water on the physical and chemical properties of mantle materials, such as diffusivity, viscosity, and electrical conductivity. Those experiments were, however, conducted either at water-saturated conditions with the excess fluid phases or at water under-saturated conditions without controlling the amount of water. In these cases, the influence of water fugacity can not be easily quantified, which leads to large uncertainties in the interpretation of experimental observations. Here we propose a novel approach to control water fugacity in the upper mantle conditions by the use of water fugacity buffers. We use a modified double capsule method, which is schematically shown in the figure. An inner Ni, Mo, or Re capsule separating the sample charge from a water fugacity buffer acts as a semi-permeable membrane for hydrogen, and an outer Pt capsule minimizes the water input and loss from the surrounding environment. The advantage of the semi-permeable metal membrane is to prevent the sample from changing its bulk composition except for hydrogen, while it maintains water fugacity in the sample same as the water fugacity buffer. This method was applied to investigate the water solubility in olivine at various water fugacities. The high-pressure annealing experiments were conducted at 5-10 GPa and 1273-1373 K by a Kawai-type multianvil apparatus. We utilized the following divariant assemblages in MSH (MgO-SiO2-H2O) system as water fugacity buffers: clinohumite-forsterite-periclase, chondrodite-clinohumite-periclase, phase A-chodrodite-periclase, and brucite-periclase. The run products show that reduction of the oxide phase and transformation of orthopyroxene into olivine, suggesting that hydrogen diffused into the sample charge through the metal membrane. The presence of all the relevant phases demonstrates that water and oxygen fugacities were buffered during the experiments. This technique will allow us to (i) determine the relation between water concentration and fugacity at fixed pressures and temperatures, (ii) identify the solubility mechanism through the determination of water fugacity exponent, and (iii) quantify the influence of water fugacity on various properties at water-undersaturated conditions.

  16. A liquid oxygen calculator for fasted channel catfish

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A review of scientific literature concerning channel catfish Ictalurus punctatus respiration resulted in development of a Microsoft Excel© spreadsheet for estimating the volume of oxygen consumed by a given fasted channel catfish biomass. Entry of ten variables into the spreadsheet provides estimate...

  17. Calculations of the Heat Release Rate by Oxygen Consumption for Various Applications

    Microsoft Academic Search

    W. J. Parker

    1984-01-01

    The calculation of heat release rate by oxygen consumption is based on the assumption that all materials release approximately the same amount of heat per unit mass of oxygen consumed. This technique is now being employed to determine the heat release rate of materials in various heat release rate cal orimeters. Other uses include the heat release rate of assemblies

  18. DFT Calculations using WIEN2K to determine oxygen defect structure of rare earth doped ceria

    E-print Network

    Khalife, Ali Rida

    2014-01-01

    We perform density functional calculations using the program WIEN2K in order to study oxygen vacancies in rare earth doped ceria. The calculation for all rare earth elements were prepared, however only those foe Cadmium and Europium were performed due to lack of time. Also a short description of my stay at CERN was presented

  19. Atomic oxygen flux and fluence calculation for Long Duration Exposure Facility (LDEF)

    NASA Technical Reports Server (NTRS)

    Bourassa, Roger J.; Gillis, James R.

    1991-01-01

    The LDEF mission was to study the effects of the space environment on various materials over an extended period of time. One of the important factors for materials degradation in low earth orbit is the atomic oxygen fluxes and fluences experienced by the materials. These fluxes and fluences are a function of orbital parameters, solar and geomagnetic activity, and material surface orientation. Calculations of atomic oxygen fluences and fluxes for the LDEF mission are summarized. Included are descriptions of LDEF orbital parameters, solar and geomagnetic data, computer code FLUXAV, which was used to perform calculations of fluxes and fluences, along with a discussion of the calculated fluxes and fluences.

  20. Partitioning of Eu between augite and a highly spiked martian basalt composition as a function of oxygen fugacity (IW-1 to QFM): Determination of Eu[superscript 2+]/Eu[superscript 3+] ratios by XANES

    SciTech Connect

    Karner, J.M.; Papike, J.J.; Sutton, S.R.; Burger, P.V.; Shearer, C.K.; Le, L.; Newville, M.; Choi, Y. (UNM); (ESC); (UC)

    2010-03-16

    We have determined D{sub Eu} between augite and melt in samples that crystallized from a highly spiked martian basalt composition at four f{sub O{sub 2}} conditions. D{sub Eu} augite/melt shows a steady increase with f{sub O{sub 2}} from 0.086 at IW-1 to 0.274 at IW+3.5. This increase is because Eu{sup 3+} is more compatible than Eu{sup 2+} in the pyroxene structure; thus increasing f{sub O{sub 2}} leads to greater Eu{sup 3+}/Eu{sup 2+} in the melt and more Eu (total) can partition into the crystallizing pyroxene. This interpretation is supported by direct determinations of Eu valence state by XANES, which show a steady increase of Eu{sup 3+}/Eu{sup 2+} with increasing f{sub O{sub 2}} in both pyroxene (0.38 to 14.6) and glass (0.20 to 12.6) in the samples. Also, pyroxene Eu{sup 3+}/Eu{sup 2+} is higher than that of adjacent glass in all the samples, which verifies that Eu{sup 3+} is more compatible than Eu{sup 2+} in the pyroxene structure. Combining partitioning data with XANES data allows for the calculation of specific valence state D-values for augite/melt where D{sub Eu{sup 3+}} = 0.28 and D{sub Eu{sup 2+}} = 0.07.

  1. Application of Electron Structure Calculations to the Migration of Oxygen through a Perovskite Membrane

    NASA Astrophysics Data System (ADS)

    Wood, Douglas A.

    The focus of this thesis is the application of electron structure calculations, particularly density functional theory, to the analysis of the process by which oxygen is able to migrate through a perovskite crystal. This property creates the possibility of using perovskite membranes to separate oxygen from air. This could be applied to the generation of syngas directly from natural gas without the need for a separate air separation unit. A perovskite has the nominal formula ABO3 where A is a rare earth type cation and B is a transition type cation. The structure consists of the B cations arranged in a cube with the A cation in the center. The oxygen ions are located at the midpoint of each B-B cube edge and form an octahedron centered on each B cation. Any real perovskite crystal will contain a certain fraction of vacancies at the oxygen sites. Oxygen migrates through the crystal by jumping from a neighboring site to the vacancy. The permeability of the crystal is thus a function of the concentration of vacancies and the activation energy of the jump from a neighboring site to the vacancy. These properties can be modified by adding dopants for the A and B cations. The literature contains a substantial amount of experimental work on the effect of such dopants. The overall migration process can be divided into components (i) the concentration of oxygen vacancies, (ii) the activation energy for a neighboring on-site oxygen atom to jump to the vacant site, (iii) the concentration of surface vacancies, and (iv) the processes by which oxygen ions transfer back and forth between the perovskite surface and the contiguous vapor space. Using SrTiO3 and LaCoO3 as model compounds, DFT calculations have been used to (i) calculate various properties of the perovskite crystal, (ii) estimate the activation energy of a jump between an occupied oxygen site and an adjacent vacant oxygen site, (iii) predict the effects of various dopants at the A and B site and (iv) analyze the interaction of oxygen and carbon monoxide molecules with the perovskite surface.

  2. Uncertainties in the thermodynamics of basalt-oxygen and basalt-water reactions

    SciTech Connect

    Schweitzer, D.G.; Davis, M.S.

    1983-08-01

    A knowledge of basalt-oxygen equilibria and basalt-water equilibria are required to predict the performance of a high-level waste package in a basalt repository. In this report we have evaluated uncertainties in these equilibria using thermodynamic data from two sources, the JANAF Thermochemical Tables (1971) and from Kubaschewski (1974). Our analysis indicates that the uncertainties in the basic thermodynamic data lead to 30 orders of magnitude in uncertainty in the oxygen fugacity for the magnetite-hematite reaction (10/sup -57/ to 10/sup -86/ atm) and about 15 orders of magnitude uncertainty in the hydrogen equilibrium pressure (10/sup -12/ to 10/sup +3/ atm). A vast volume of literature exists on reactions involving magnetite and hematite in water at temperatures pertinent to basalt repositories (50/sup 0/ to 350/sup 0/C). These data show that Fe/sub 3/O/sub 4/ and Fe/sub 2/O/sub 3/ can coexist in water with oxygen fugacities from about 10/sup -4/ to 1 rather than the calculated oxygen fugacities of approx. 10/sup -60/ to 10/sup -30/ assumed in the past. 5 references.

  3. Similarity criteria in calculations of the energy characteristics of a cw oxygen - iodine laser

    SciTech Connect

    Mezhenin, A V; Azyazov, V N

    2012-12-31

    The calculated and experimental data on the energy efficiency of a cw oxygen - iodine laser (OIL) are analysed based on two similarity criteria, namely, on the ratio of the residence time of the gas mixture in the resonator to the characteristic time of extraction of the energy stored in singlet oxygen td and on the gain-to-loss ratio {Pi}. It is shown that the simplified two-level laser model satisfactorily predicts the output characteristics of OILs with a stable resonator at {tau}{sub d} {<=} 7. Efficient energy extraction from the OIL active medium is achieved in the case of {tau}{sub d} = 5 - 7, {Pi} = 4 - 8. (lasers)

  4. Similarity criteria in calculations of the energy characteristics of a cw oxygen - iodine laser

    NASA Astrophysics Data System (ADS)

    Mezhenin, A. V.; Azyazov, V. N.

    2012-12-01

    The calculated and experimental data on the energy efficiency of a cw oxygen - iodine laser (OIL) are analysed based on two similarity criteria, namely, on the ratio of the residence time of the gas mixture in the resonator to the characteristic time of extraction of the energy stored in singlet oxygen td and on the gain-to-loss ratio ?. It is shown that the simplified two-level laser model satisfactorily predicts the output characteristics of OILs with a stable resonator at ?d <= 7. Efficient energy extraction from the OIL active medium is achieved in the case of ?d = 5 - 7, ? = 4 - 8.

  5. Linear optical properties of defective KDP with oxygen vacancy: First-principles calculations

    NASA Astrophysics Data System (ADS)

    Chen, Xin; Zhao, Qian-Qian; Wang, Xiao-Chun; Chen, Jun; Ju, Xin

    2015-07-01

    The linear optical properties of potassium dihydrogen phosphate (KDP) with oxygen vacancy are investigated with first-principles density functional theory calculations. We use Heyd–Scuseria–Ernzerhof (HSE06) functional to calculate the linear optical properties because of its accuracy in the band gap calculation. Compared with the perfect KDP, we found that due to the defect states located at the band gap, the defective KDP with oxygen vacancy has new optical adsorption within the energy region from 4.8 eV to 7.0 eV (the corresponding wavelength region is from 258 nm to 177 nm). As a result, the oxygen vacancy can decrease the damage threshold of KDP crystal. It may give a direction to the KDP production for laser system. Project supported by the National Natural Science Foundation of China (Grant No. 11474123), the Natural Science Foundation of Jilin Province, China (Grant No. 20130101011JC), and the Fundamental Research Funds for Central Universities of China.

  6. Time efficient way to calculate oxygen transfer areas and power input in cylindrical disposable shaken bioreactors.

    PubMed

    Klöckner, Wolf; Lattermann, Clemens; Pursche, Franz; Büchs, Jochen; Werner, Sören; Eibl, Dieter

    2014-01-01

    Disposable orbitally shaken bioreactors are a promising alternative to stirred or wave agitated systems for mammalian and plant cell cultivation, because they provide a homogeneous and well-defined liquid distribution together with a simple and cost-efficient design. Cultivation conditions in the surface-aerated bioreactors are mainly affected by the size of the volumetric oxygen transfer area (a) and the volumetric power input (P?VL ) that both result from the liquid distribution during shaking. Since Computational Fluid Dynamics (CFD)-commonly applied to simulate the liquid distribution in such bioreactors-needs high computing power, this technique is poorly suited to investigate the influence of many different operating conditions in various scales. Thus, the aim of this paper is to introduce a new mathematical model for calculating the values of a and P?VL for liquids with water-like viscosities. The model equations were derived from the balance of centrifugal and gravitational forces exerted during shaking. A good agreement was found among calculated values for a and P?VL , CFD simulation values and empirical results. The newly proposed model enables a time efficient way to calculate the oxygen transfer areas and power input for various shaking frequencies, filling volumes and shaking and reactor diameters. All these parameters can be calculated fast and with little computing power. PMID:25138595

  7. Understanding Iron-based catalysts with efficient Oxygen reduction activity from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Hafiz, Hasnain; Barbiellini, B.; Jia, Q.; Tylus, U.; Strickland, K.; Bansil, A.; Mukerjee, S.

    2015-03-01

    Catalysts based on Fe/N/C clusters can support the oxygen-reduction reaction (ORR) without the use of expensive metals such as platinum. These systems can also prevent some poisonous species to block the active sites from the reactant. We have performed spin-polarized calculations on various Fe/N/C fragments using the Vienna Ab initio Simulation Package (VASP) code. Some results are compared to similar calculations obtained with the Gaussian code. We investigate the partial density of states (PDOS) of the 3d orbitals near the Fermi level and calculate the binding energies of several ligands. Correlations of the binding energies with the 3d electronic PDOS's are used to propose electronic descriptors of the ORR associated with the 3d states of Fe. We also suggest a structural model for the most active site with a ferrous ion (Fe2+) in the high spin state or the so-called Doublet 3 (D3).

  8. Mass-Independent Fractionation of Oxygen Isotope in Earth Wind: First Principle Calculations for Photodissociation

    NASA Astrophysics Data System (ADS)

    Yamada, A.; Nanbu, S.; Kasai, Y.; Ozima, M.

    2009-12-01

    Mass-independently fractionated oxygen isotope were reported on metal particles extracted from Apollo lunar soils [1, 2], but these origins are still unknown. Since the substantial fraction of Earth-escaping O+ flux (Earth Wind, EW hereafter), comparable to the amount of the anomalous oxygen implanted on the metal particles, could reach the lunar surface [3], Ozima et al. [4] suggested that EW may be responsible to the anomalous oxygen. The purpose is to test this EW hypothesiss, we study oxygen isotopic ratios of O+ at the upper atmosphere. From quantum chemical calculations of photo-dissociation of O2, we show the results in mass-independent isotopic fractionation of oxygen, thereby in conformity with the EW hypothesis. First principles reaction dynamics simulations were performed to compute the photolysis rate for the B3?u- ? X3?g- electronic transition, for Schumann-Runge band. With the assumption of the Born-Oppenheimer approximation, we performed the wave-packet dynamics for the nuclei-motion in the potential energy curves determined by the first step calculation. Quantum chemical program package [5] was used for the first step calculation, and the quantum dynamics was carried out by our own program package. Assuming the quantum yield of the corresponding photolysis is unity, the photo-absorption cross section can be correlated with the photolysis rate. Therefore, following the time dependent approach, the autocorrelation function (A(t) = ) was numerically computed by the second step calculation. Finally, the theoretical spectrum as a function of wavelength of excitation light was estimated by the Fourier transform of the autocorrelation function A(t) [6]. Calculated absorption cross sections for C16O showed similar wavelength dependence with experiment [7], although the absolute magnitude was yet to be calibrated for a quantitative comparison. Assuming Boltzmann distribution at 1200 K, we estimated enrichment factors defined as ??(?)/?16(?) - 1 (i = 17, 18) using the above calculated cross sections. Assuming SMOW for the initial oxygen isotopic composition, the isotopic ratios of O atom dissociated from O2 are ?17O = 5.62‰, ?18O = 3.53‰, ?17O = 3.8‰, suggesting large mass-independent isotopic fractionation in photo-dissociation of CiO. Numerical values of isotopic fractionation (e.g. ?17O) can be obtained by solving photochemical reaction equations in the thermosphere conditions (>100 km) with the above estimated dissociation rates, where effective O+ pickup is likely to take place. We are currently working on the latter problem with hopes that this would test the EW hypothesis. References: [1] Ireland et al., 2006, Nature, 440:776. [2] Hashizume & Chaussidon, 2009, GCA, 73:3038. [3] Seki et al., 2001, Science, 291:1939. [4] Ozima et al., 2008, PNAS, 105:17654. [5] Werner & Knowles, http://www.molpro.net. [6] Heller, 1978, J. Chem. Phys., 68:2066. [7] Ackermann et al., 1970, Planet. Space Sci., 18:1639.

  9. Electronic structure and excitations in oxygen deficient CeO2-? from DFT calculations

    NASA Astrophysics Data System (ADS)

    Jarlborg, T.; Barbiellini, B.; Lane, C.; Wang, Yung Jui; Markiewicz, R. S.; Liu, Zhi; Hussain, Zahid; Bansil, A.

    2014-04-01

    The electronic structures of supercells of CeO2-? have been calculated within the density functional theory (DFT). The equilibrium properties such as lattice constants, bulk moduli, and magnetic moments are well reproduced by the generalized gradient approximation (GGA). Electronic excitations are simulated by robust total-energy calculations for constrained states with atomic core holes or valence holes. Pristine ceria CeO2 is found to be a nonmagnetic insulator with magnetism setting in as soon as oxygens are removed from the structure. In the ground state of defective ceria, the Ce-f majority band resides near the Fermi level but appears at about 2 eV below the Fermi level in photoemission spectroscopy experiments due to final-state effects. We also tested our computational method by calculating threshold energies in Ce-M5 and O-K x-ray absorption spectroscopy and comparing theoretical predictions with the corresponding measurements. Our result that f electrons reside near the Fermi level in the ground state of oxygen-deficient ceria is crucial for understanding the catalytic properties of CeO2 and related materials.

  10. pyMCZ: Oxygen abundances calculations and uncertainties from strong-line flux measurements

    NASA Astrophysics Data System (ADS)

    Bianco, Federica B.; Modjaz, Maryam; Oh, Seung Man; Fierroz, David; Liu, Yuqian; Kewley, Lisa; Graur, Or

    2015-05-01

    pyMCZ calculates metallicity according to a number of strong line metallicity diagnostics from spectroscopy line measurements and obtain uncertainties from the line flux errors in a Monte Carlo framework. Given line flux measurements and their uncertainties, pyMCZ produces synthetic distributions for the oxygen abundance in up to 13 metallicity scales simultaneously, as well as for E(B-V), and estimates their median values and their 66% confidence regions. The code can output the full MC distributions and their kernel density estimates.

  11. Generalized quark number susceptibilities from fugacity expansion at finite chemical potential for Nf=2 Wilson fermions

    NASA Astrophysics Data System (ADS)

    Gattringer, Christof; Schadler, Hans-Peter

    2015-04-01

    Generalized susceptibilities of the net quark number have been proposed to be good probes for the transitions in the QCD phase diagram and for the search of a possible critical end point. In this article we explore a new strategy for computing quark number susceptibilities from lattice QCD via an expansion in the fugacity parameter e? ?. All quark number related bulk observables are particularly easy to access in this approach, and we present results for generalized quark number susceptibilities up to fourth order. Ratios of these quantities are studied and compared with model calculations for the high- and low-temperature regions up to a chemical potential of ? ? ?1.0 .

  12. Fugacity approach to evaluate the sediment-water diffusion of polycyclic aromatic hydrocarbons.

    PubMed

    Wang, De-Gao; Alaee, Mehran; Byer, Jonathan; Liu, Yong-Jun; Tian, Chong-Guo

    2011-06-01

    Diffusion is an important process for sediment-water exchange and plays a vital role in controlling water quality. Fugacity fraction (ff) was used to estimate the sediment-water diffusion of polycyclic aromatic hydrocarbons (PAHs) between seawater and surficial sediment. A total of 33 surface sediment and sea water samples were collected concurrently from the northeast coastal area in China and 25 PAHs were analyzed including the alkylated and chlorated PAHs. Fugacity fraction was calculated based on the PAH concentrations in water and sediment, octanol-water partition coefficient of PAHs, organic matter content in sediment, and density of sediment. The calculated results showed that ff increased with decreasing molecular weight of PAHs. The low molecular weight PAHs (2-3 rings) transferred from sediment to water and the sediment acted as a secondary source to the water. The medium molecular weight PAHs (4-5 rings) were close to the sediment-water equilibrium and the transfer tendency shifted between sediment and water. The high molecular weight PAHs (5-6 rings) transferred from water into sediment and the sediment acted as a sink. Soot carbon and the difference of PAH concentrations between sediment and water were found to be important factors affecting the sediment-water diffusion. This study provided new insight into the process of sediment-water diffusion, which has a great influence on the quality of water, especially in severely-polluted sediment areas. PMID:21552633

  13. Cerebral tissue oxygen saturation calculated using low frequency haemoglobin oscillations measured by near infrared spectroscopy in adult ventilated patients.

    PubMed

    Leung, Terence S; Tisdall, Martin M; Tachtsidis, Ilias; Smith, Martin; Delpy, David T; Elwell, Clare E

    2008-01-01

    Oxy- (HbO2) and deoxy- (HHb) haemoglobin signals measured by near infrared (NIR) spectroscopy over the human frontal lobes frequently contain respiratory and low frequency oscillations (LFOs). It has been suggested previously that venous oxygen saturation (SvO2) can be calculated from these respiratory oscillations. In this paper, we investigated the use of a Fourier transform based algorithm to calculate an oxygen saturation measure known as S(osc)O2 which may be a close estimate of the underlying SvO2. S(osc)O2 was calculated using three different frequency ranges, (1) respiratory oscillations only, (2) LFOs only, and (3) both respiratory oscillations and LFOs. At each frequency range S(osc)O2 was calculated using either (1) the modified Beer-Lambert law (MBL) or (2) spatially resolved spectroscopy (SRS). In total six different measurements of S(osc)O2 were investigated here. Experiments were performed in six adult ventilated patients with traumatic brain injury. The patients' inspired oxygen fraction (FiO2) was raised in two hyperoxic phases. The calculated S(osc)O2 values were compared with other cerebral oxygenation measures including an intraparenchymal catheter based brain tissue oxygen tension (PbrO2) and the NIR based tissue oxygenation index (TOI). It was found that the S(osc)O2 calculated using the combined respiratory and LFO frequency range and the SRS method resulted in the highest detection rates of hyperoxic changes. This measure of S(osc)O2 may provide a viable, continuous, non invasive, bedside measure of cerebral venous oxygen saturation. PMID:18290334

  14. Oxygen vacancy formation and migration in Ce(1-x)Zr(x)O2 catalyst: a DFT+U calculation.

    PubMed

    Chen, Hsin-Tsung; Chang, Jee-Gong

    2010-06-01

    Spin-polarized density functional theory with the inclusion of on-site Coulomb correction (DFT+U) calculation is carried out to study the oxygen vacancy and migration of Ce(1-x)Zr(x)O(2) in a series of Ce/Zr ratios. Substitution of Zr(4+) ion in CeO(2) creates activated oxygen in Ce(1-x)Zr(x)O(2), leading to higher oxygen storage capacity (OCS) compared to CeO(2) due to its structural and electronic modifications. It is found that the oxygen vacancy formation energy (E(f)) is lowered even by small amounts of zirconia; the oxide with a content of 50% zirconia exhibits the lowest E(f) and the best OCS. This indicates that the O vacancy is most easily created near the Zr centers. In addition, the activation energy calculations for oxygen vacancy migration around Zr dopant show facile oxygen migration through the Ce(1-x)Zr(x)O(2) materials, especially for 50% Zr-doped ceria. The detailed electronic analysis is also carried out to gain insights into the higher OCS of the Ce(1-x)Zr(x)O(2) catalyst. PMID:20528036

  15. Oxygen vacancy formation and migration in Ce1-xZrxO2 catalyst: A DFT+U calculation

    NASA Astrophysics Data System (ADS)

    Chen, Hsin-Tsung; Chang, Jee-Gong

    2010-06-01

    Spin-polarized density functional theory with the inclusion of on-site Coulomb correction (DFT+U) calculation is carried out to study the oxygen vacancy and migration of Ce1-xZrxO2 in a series of Ce/Zr ratios. Substitution of Zr4+ ion in CeO2 creates activated oxygen in Ce1-xZrxO2, leading to higher oxygen storage capacity (OCS) compared to CeO2 due to its structural and electronic modifications. It is found that the oxygen vacancy formation energy (Ef) is lowered even by small amounts of zirconia; the oxide with a content of 50% zirconia exhibits the lowest Ef and the best OCS. This indicates that the O vacancy is most easily created near the Zr centers. In addition, the activation energy calculations for oxygen vacancy migration around Zr dopant show facile oxygen migration through the Ce1-xZrxO2 materials, especially for 50% Zr-doped ceria. The detailed electronic analysis is also carried out to gain insights into the higher OCS of the Ce1-xZrxO2 catalyst.

  16. Mass-Independent Fractionation of Oxygen Isotope in Earth Wind: First Principle Calculations for Photodissociation

    Microsoft Academic Search

    A. Yamada; S. Nanbu; Y. Kasai; M. Ozima

    2009-01-01

    Mass-independently fractionated oxygen isotope were reported on metal particles extracted from Apollo lunar soils [1, 2], but these origins are still unknown. Since the substantial fraction of Earth-escaping O+ flux (Earth Wind, EW hereafter), comparable to the amount of the anomalous oxygen implanted on the metal particles, could reach the lunar surface [3], Ozima et al. [4] suggested that EW

  17. Determination of oxygen self-diffusion in akermanite, anorthite, diopside, and spinel: Implications for oxygen isotopic anomalies and the thermal histories of Ca-Al-rich inclusions

    Microsoft Academic Search

    F. J. Ryerson; K. D. McKeegan

    1994-01-01

    Oxygen self-diffusion coefficients have been measured for three natural diopsidic clinopyroxenes, a natural anorthite, a synthetic magnesium aluminate spinel, and a synthetic akermanite for oxygen fugacities ranging from the NNO to IW buffers. The oxygen diffusion data are used to evaluate the effects of three different types of thermal histories upon the oxygen isotopic compositions of minerals found in Type

  18. Relativistic Calculation of Transition Probabilities for 557.7 nm and 297.2 nm Emission Lines in Oxygen

    NASA Astrophysics Data System (ADS)

    Chantler, C. T.; Nguyen, T. V. B.; Lowe, J. A.; Grant, I. P.

    2013-05-01

    The 557.7 nm green line and the 297.2 nm ultraviolet line in oxygen have been studied extensively due to their importance in astrophysics and atmospheric science. Despite the enormous effort devoted to these two prominent transition lines over 30 years, and in fact going back to 1934, the ratio of their transition probabilities remains a subject of major discrepancies amongst various theoretical calculations for many decades. Moreover, theoretical results are inconsistent with available laboratory results, as well as recent spacecraft measurements of Earth's airglow. This work presents new relativistic theoretical calculations of the transition probabilities of these two photoemission lines from neutral oxygen using the multi-configuration Dirac-Hartree-Fock method. Our calculations were performed in both length and velocity gauges in order to check for accuracy and consistency, with agreement to 8%. Whilst remaining a challenging computation, these results directly bear upon interpretations of plasma processes and ionization regimes in the universe.

  19. Monte Carlo Method for Calculating Oxygen Abundances and Their Uncertainties from Strong-Line Flux Measurements

    E-print Network

    Bianco, Federica B; Oh, Seung Man; Fierroz, David; Liu, Yuqian; Kewley, Lisa; Graur, Or

    2015-01-01

    We present the open-source Python code pyMCZ that determines oxygen abundance and its distribution from strong emission lines in the standard metallicity scales, based on the original IDL code of Kewley & Dopita (2002) with updates from Kewley & Ellison (2008), and expanded to include more recently developed scales. The standard strong-line diagnostics have been used to estimate the oxygen abundance in the interstellar medium through various emission line ratios in many areas of astrophysics, including galaxy evolution and supernova host galaxy studies. We introduce a Python implementation of these methods that, through Monte Carlo (MC) sampling, better characterizes the statistical reddening-corrected oxygen abundance confidence region. Given line flux measurements and their uncertainties, our code produces synthetic distributions for the oxygen abundance in up to 13 metallicity scales simultaneously, as well as for E(B-V), and estimates their median values and their 66% confidence regions. In additi...

  20. First-principles periodic and semiempirical cyclic cluster calculations for single oxygen vacancies in crystalline Al2O3

    Microsoft Academic Search

    Florian Janetzko; Robert A. Evarestov; Thomas Bredow; Karl Jug

    2004-01-01

    Single neutral and positively charged oxygen vacancies (F and F+ centers) in -Al2O3 are investigated using the supercell model (SCM) at the Hartree-Fock (HF) and density functional theory (DFT) level and the cyclic cluster model (CCM) implemented in the semiempirical MSINDO method. Results of supercell and cyclic cluster calculations for the cohesive energy of the perfect Al2O3 crystal are compared

  1. Interpolation constants for calculation of transmittance and rate of dissociation of molecular oxygen in the mesosphere and lower thermosphere

    NASA Technical Reports Server (NTRS)

    Hudson, R. D.; Mahle, S. H.

    1972-01-01

    Values of band oscillator strengths and rotational line widths for the Schumann-Runge band system have been used to derive interpolation constants from which the transmittance and rate of dissociation of molecular oxygen can be calculated. These constants, valid for temperatures between 150 and 300 K and for column densities between 1 x 10 to the 17th power/cm sq and 7 x 10 to the 24th power/cm sq, cover the wavelength range 1750 and 2050A.

  2. Comparative oxygen barometry in granulites, Bamble sector, SE Norway

    SciTech Connect

    Harlov, D.E. (Purdue Univ., West Lafayette, IN (United States))

    1992-07-01

    Oxygen fugacities have been estimated for the high-grade portion of the Bamble granulite facies terrane, SE Norway, using both titaniferous magnetite-ilmenite and orthopyroxene-titaniferous magnetite-quartz oxygen barometers. The two oxygen barometers show good agreement, for samples indicating high titaniferous magnetite-ilmenite temperatures whereas agreement is poor for low-temperature samples. Oxygen fugacities estimated from titaniferous magnetite-ilmenite are considerably lower than those estimated from orthopyroxene-titaniferous magnetite-quartz. This discrepancy increases with a decrease in temperature, which appears to reflect preferential resetting of the hematite content in the ilmenite grains, without much alteration of the more numerous titaniferous magnetite or orthopyroxene grains. The mean temperature for non-reset samples, 795 {plus minus} 60C (1{sigma}), agrees well with temperatures obtained from garnet-orthopyroxene K{sub D} exchange thermometry in the same region, 785 {plus minus} 60C (1{sigma}). The non-reset oxygen fugacities also agree well with an independent study of the Bamble granulites by Cameron. The QUIlP equilibrium (Quartz-Ulvospinel-Ilmenite-Pyroxene) is used to project self-consistent equilibrium temperatures and oxygen fugacities for samples reset due to hematite loss from the ilmenite grains. These projected temperatures and oxygen fugacities agree reasonably well with non-reset samples. The mean projected temperature is 830 {plus minus} 40C (1{sigma}). This agreement strongly supports the conclusion that low titaniferous magnetite-ilmenite temperatures (down to 485C) and accompanying low-oxygen fugacities are the result of hematite loss from the ilmenite grains at some time after granulite-facies metamorphism.

  3. Phase diagram calculations of the U?Pu?N system with carbon and oxygen impurities

    Microsoft Academic Search

    D. D. Sood; R. Agarwal; V. Venugopal

    1997-01-01

    The most common method for the preparation of mixed nitride fuels is the carbothermic reduction of a UO2 + PuO2 + C mixture in a nitrogen atmosphere. A mixed nitride fuel thus formed has carbon and oxygen impurities which are kept well below 5000 ppm. For a given overall composition of the nitride fuel and the temperature, the present work

  4. Workshop on Oxygen in the Terrestrial Planets

    NASA Technical Reports Server (NTRS)

    2004-01-01

    This volume contains abstracts that have been accepted for presentation at the Workshop on Oxygen in the Terrestrial Planets, July 20-23,2004, Santa Fe, New Mexico. The contents include: 1) Experimental Constraints on Oxygen and Other Light Element Partitioning During Planetary Core Formation; 2) In Situ Determination of Fe(3+)/SigmaFe of Spinels by Electron Microprobe: An Evaluation of the Flank Method; 3) The Effect of Oxygen Fugacity on Large-Strain Deformation and Recrystallization of Olivine; 4) Plagioclase-Liquid Trace Element Oxygen Barometry and Oxygen Behaviour in Closed and Open System Magmatic Processes; 5) Core Formation in the Earth: Constraints from Ni and Co; 6) Oxygen Isotopic Compositions of the Terrestrial Planets; 7) The Effect of Oxygen Fugacity on Electrical Conduction of Olivine and Implications for Earth s Mantle; 8) Redox Chemical Diffusion in Silicate Melts: The Impact of the Semiconductor Condition; 9) Ultra-High Temperature Effects in Earth s Magma Ocean: Pt and W Partitioning; 10) Terrestrial Oxygen and Hydrogen Isotope Variations: Primordial Values, Systematics, Subsolidus Effects, Planetary Comparisons, and the Role of Water; 11) Redox State of the Moon s Interior; 12) How did the Terrestrial Planets Acquire Their Water?; 13) Molecular Oxygen Mixing Ratio and Its Seasonal Variability in the Martian Atmosphere; 14) Exchange Between the Atmosphere and the Regolith of Mars: Discussion of Oxygen and Sulfur Isotope Evidence; 15) Oxygen and Hydrogen Isotope Systematics of Atmospheric Water Vapor and Meteoric Waters: Evidence from North Texas; 16) Implications of Isotopic and Redox Heterogeneities in Silicate Reservoirs on Mars; 17) Oxygen Isotopic Variation of the Terrestrial Planets; 18) Redox Exchanges in Hydrous Magma; 19) Hydrothermal Systems on Terrestrial Planets: Lessons from Earth; 20) Oxygen in Martian Meteorites: A Review of Results from Mineral Equilibria Oxybarometers; 21) Non-Linear Fractionation of Oxygen Isotopes Implanted in Lunar Metal Grains: Solar, Lunar or Terrestrial Origin? 22) Isotopic Zoning in the Inner Solar System; 23) Redox Conditions on Small Bodies; 24) Determining the Oxygen Fugacity of Lunar Pyroclastic Glasses Using Vanadium Valence - An Update; 25) Mantle Redox Evolution and the Rise of Atmospheric O2; 26) Variation of Kd for Fe-Mg Exchange Between Olivine and Melt for Compositions Ranging from Alkaline Basalt to Rhyolite; 27) Determining the Partial Pressure of Oxygen (PO,) in Solutions on Mars; 28) The Influence of Oxygen Environment on Kinetic Properties of Silicate Rocks and Minerals; 29) Redox Evolution of Magmatic Systems; 30) The Constancy of Upper Mantlefo, Through Time Inferred from V/Sc Ratios in Basalts: Implications for the Rise in Atmospheric 0 2; 31) Nitrogen Solubility in Basaltic Melt. Effects of Oxygen Fugacity, Melt Composition and Gas Speciation; 32) Oxygen Isotope Anomalies in the Atmospheres of Earth and Mars; 33) The Effect of Oxygen Fugacity on Interdiffusion of Iron and Magnesium in Magnesiowiistite 34) The Calibration of the Pyroxene Eu-Oxybarometer for the Martian Meteorites; 35) The Europium Oxybarometer: Power and Pitfalls; 36) Oxygen Fugacity of the Martian Mantle from PigeoniteMelt Partitioning of Samarium, Europium and Gadolinium; 37) Oxidation-Reduction Processes on the Moon: Experimental Verification of Graphite Oxidation in the Apollo 17 Orange Glasses; 38) Oxygen and Core Formation in the Earth; 39) Geologic Record of the Atmospheric Sulfur Chemistry Before the Oxygenation of the Early Earth s Atmosphere; 40) Comparative Planetary Mineralogy: V/(CrCAl) Systematics in Chromite as an Indicator of Relative Oxygen Fugacity; 41) How Well do Sulfur Isotopes Constrain Oxygen Abundance in the Ancient Atmospheres? 42) Experimental Constraints on the Oxygen Isotope (O-18/ O-16) Fractionation in the Ice vapor and Adsorbant vapor Systems of CO2 at Conditions Relevant to the Surface of Mars; 43) Micro-XANES Measurements on Experimental Spinels andhe Oxidation State of Vanadium in Spinel-Melt Pairs; 44) Testing the Magma Ocean Hypothesis Using

  5. First-principles periodic and semiempirical cyclic cluster calculations for single oxygen vacancies in crystalline Al2O3

    NASA Astrophysics Data System (ADS)

    Janetzko, Florian; Evarestov, Robert A.; Bredow, Thomas; Jug, Karl

    2004-04-01

    Single neutral and positively charged oxygen vacancies (F and F+ centers) in -Al2O3 are investigated using the supercell model (SCM) at the Hartree-Fock (HF) and density functional theory (DFT) level and the cyclic cluster model (CCM) implemented in the semiempirical MSINDO method. Results of supercell and cyclic cluster calculations for the cohesive energy of the perfect Al2O3 crystal are compared with the experimental value for the heat of atomization. The defect formation energy of the unrelaxed F center is calculated with the SCM. The CCM is used to calculate the defect formation energy of the F and the F+ centers. Relaxation effects for the nearest neighbors (NN) and the next-nearest neighbors (NNN) of the F and F+ centers are investigated. The obtained values are compared to other theoretical literature data.

  6. Strain-induced phase and oxygen-vacancy stability in ionic interfaces from first-principles calculations

    SciTech Connect

    Aidhy, Dilpuneet S [ORNL; Liu, Bin [ORNL; Zhang, Yanwen [ORNL; Weber, William J [ORNL

    2014-01-01

    Understanding interfacial chemistry is becoming crucial in materials design for heterointerfaces. Using density functional theory, we elucidate the effect of strained interfaces on phase and oxygen-vacancy stability for CeO2 | ZrO2, ThO2 | ZrO2 and CeO2 | ThO2 interfaces. The calculations show that ZrO2 transforms from cubic fluorite to the orthorhombic columbite under tensile strain providing evidence of a previous experimental speculation of an unrecognized ZrO2 phase. We also show that oxygen vacancies could be preferably stabilized on either side of the interface by manipulating strain. We predict that they are stable in tensile-strain, and unstable in compressivestrained materials.

  7. Density functional theory based first-principle calculation of Nb-doped anatase TiO2 and its interactions with oxygen vacancies and interstitial oxygen

    NASA Astrophysics Data System (ADS)

    Kamisaka, Hideyuki; Hitosugi, Taro; Suenaga, Takahiro; Hasegawa, Tetsuya; Yamashita, Koichi

    2009-07-01

    The structure and electronic properties of Nb-doped anatase (TNO) were studied from first principles using the density functional theory based band structure method. Four independent types of unit cells were studied; i.e., pure anatase, anatase with Nb dopant at Ti sites (NbTi), and cells with either interstitial oxygen (Oi) or oxygen vacancies (VO). In addition, a unit cell with a NbTi and Oi, and a cell with NbTi and VO were investigated to clarify the role of nonstoichiometry in TNO. From the calculated results, the importance of the adjacent NbTi-VO and NbTi-Oi structures was pointed out, and the experimental observation of the relationship between nonstoichiometry and electronic conductivity was rationalized. The shape of the impurity states found in these structures was used to comprehend the experimental observation of carrier concentration and the charge state of Nb dopant. The changes in lattice constants supported the existence of these structures as well. On the contrary, the cell with a simple NbTi did not show significant changes in structure and electronic properties, other than the emission of an electron in the conduction band. A stabilization of the impurity state was observed in the adjacent NbTi-VO structure compared to the VO. The possibility of an essential role of this state in electric conduction was discussed. The formation of the adjacent NbTi-Oi structure by O2 gas annealing was discussed using statistical mechanics. The Gibbs free energies were calculated for Oi atoms in TNO and compared to that of O2 molecules in the gas phase. The analysis was qualitatively consistent with experimental behavior under the assumption of the NbTi-VO structures.

  8. Virial Approximation of the TEOS-10 Equation for the Fugacity of Water in Humid Air

    NASA Astrophysics Data System (ADS)

    Feistel, Rainer; Lovell-Smith, Jeremy W.; Hellmuth, Olaf

    2015-01-01

    Fugacity is considered the proper real-gas substitute for the partial pressure commonly used to describe ideal-gas mixtures. However, in several fields such as geophysics, meteorology, or air conditioning, partial pressure is still preferred over fugacity when non-equilibrium conditions of humid air are quantified. One reason may be that for ambient air, the deviations from ideal-gas behavior are small, another that explicit correlation equations for the fugacity of water vapor in humid air are scarce in the literature. This situation has improved with the publication of the new oceanographic standard TEOS-10, the International Thermodynamic Equation of Seawater 2010, which provides highly accurate values for the chemical potential and the fugacity of water vapor in humid air over wide ranges of pressure and temperature. This paper describes the way fugacity is obtained from the fundamental equations of TEOS-10, and it derives computationally more convenient virial approximations for the fugacity, consistent with TEOS-10. Analytically extracted from the TEOS-10 equation of state of humid air, equations for the 2nd and 3rd virial coefficients are reported and compared with correlations available from the literature. The virial fugacity equation is valid in the temperature range between and +200 at pressures up to 5 MPa, and between and +1000 at low pressures such as those encountered in the terrestrial atmosphere at higher altitudes.

  9. Density-functional calculation of CeO2 surfaces and prediction of effects of oxygen partial pressure and temperature on stabilities

    E-print Network

    Adams, James B

    Density-functional calculation of CeO2 surfaces and prediction of effects of oxygen partial 111 , 110 , 210 , 211 , 100 , and 310 surfaces of ceria CeO2 . Compared with previous interatomic cycles.1 Ceria CeO2 has been recognized as an excellent oxygen buffer since the mid- 1980s, due to its

  10. Calculation of singlet oxygen formation from one photon absorbing photosensitizers used in PDT

    NASA Astrophysics Data System (ADS)

    Potasek, M.; Parilov, Evgueni; Beeson, K.

    2013-03-01

    Advances in biophotonic medicine require new information on photodynamic mechanisms. In photodynamic therapy (PDT), a photosensitizer (PS) is injected into the body and accumulates at higher concentrations in diseased tissue compared to normal tissue. The PS absorbs light from a light source and generates excited-state triplet states of the PS. The excited triplet states of the PS can then react with ground state molecular oxygen to form excited singlet - state oxygen or form other highly reactive species. The reactive species react with living cells, resulting in cel l death. This treatment is used in many forms of cancer including those in the prostrate, head and neck, lungs, bladder, esophagus and certain skin cancers. We developed a novel numerical method to model the photophysical and photochemical processes in the PS and the subsequent energy transfer to O2, improving the understanding of these processes at a molecular level. Our numerical method simulates light propagation and photo-physics in PS using methods that build on techniques previously developed for optical communications and nonlinear optics applications.

  11. Estimating the uncertainty in thermochemical calculations for oxygen-hydrogen combustors

    Microsoft Academic Search

    Joseph David Sims

    2005-01-01

    The thermochemistry program CEA2 was combined with the statistical thermodynamics program PAC99 in a Monte Carlo simulation to determine the uncertainty in several CEA2 output variables due to uncertainty in thermodynamic reference values for the reactant and combustion species. In all, six typical performance parameters were examined, along with the required intermediate calculations (five gas properties and eight stoichiometric coefficients),

  12. Dust-Coulomb and dust-acoustic wave propagation in dense dusty plasmas with high fugacity

    Microsoft Academic Search

    N. N. Rao

    2000-01-01

    A detailed investigation of electrostatic dust wave modes in unmagnetized dusty plasmas consisting of electrons, ions and dust grains has been carried out over a wide range of dust fugacity and wave frequency by using fluid as well as kinetic (Vlasov) theories. The dust fugacity parameter is defined by f?4pind0lambdaD2R~ND R\\/lambdaD where nd0, lambdaD and R are respectively the dust

  13. Electrical conductivity in oxygen-deficient phases of tantalum pentoxide from first-principles calculations

    SciTech Connect

    Bondi, Robert J., E-mail: rjbondi@sandia.gov; Desjarlais, Michael P.; Thompson, Aidan P.; Brennecka, Geoff L.; Marinella, Matthew J. [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

    2013-11-28

    We apply first-principles density-functional theory (DFT) calculations, ab-initio molecular dynamics, and the Kubo-Greenwood formula to predict electrical conductivity in Ta{sub 2}O{sub x} (0???x???5) as a function of composition, phase, and temperature, where additional focus is given to various oxidation states of the O monovacancy (V{sub O}{sup n}; n?=?0,1+,2+). In the crystalline phase, our DFT calculations suggest that V{sub O}{sup 0} prefers equatorial O sites, while V{sub O}{sup 1+} and V{sub O}{sup 2+} are energetically preferred in the O cap sites of TaO{sub 7} polyhedra. Our calculations of DC conductivity at 300?K agree well with experimental measurements taken on Ta{sub 2}O{sub x} thin films (0.18???x???4.72) and bulk Ta{sub 2}O{sub 5} powder-sintered pellets, although simulation accuracy can be improved for the most insulating, stoichiometric compositions. Our conductivity calculations and further interrogation of the O-deficient Ta{sub 2}O{sub 5} electronic structure provide further theoretical basis to substantiate V{sub O}{sup 0} as a donor dopant in Ta{sub 2}O{sub 5}. Furthermore, this dopant-like behavior is specific to the neutral case and not observed in either the 1+ or 2+ oxidation states, which suggests that reduction and oxidation reactions may effectively act as donor activation and deactivation mechanisms, respectively, for V{sub O}{sup n} in Ta{sub 2}O{sub 5}.

  14. Electrical conductivity in oxygen-deficient phases of transition metal oxides from first-principles calculations.

    SciTech Connect

    Bondi, Robert James; Desjarlais, Michael Paul; Thompson, Aidan Patrick; Brennecka, Geoffrey L.; Marinella, Matthew

    2013-09-01

    Density-functional theory calculations, ab-initio molecular dynamics, and the Kubo-Greenwood formula are applied to predict electrical conductivity in Ta2Ox (0x5) as a function of composition, phase, and temperature, where additional focus is given to various oxidation states of the O monovacancy (VOn; n=0,1+,2+). Our calculations of DC conductivity at 300K agree well with experimental measurements taken on Ta2Ox thin films and bulk Ta2O5 powder-sintered pellets, although simulation accuracy can be improved for the most insulating, stoichiometric compositions. Our conductivity calculations and further interrogation of the O-deficient Ta2O5 electronic structure provide further theoretical basis to substantiate VO0 as a donor dopant in Ta2O5 and other metal oxides. Furthermore, this dopant-like behavior appears specific to neutral VO cases in both Ta2O5 and TiO2 and was not observed in other oxidation states. This suggests that reduction and oxidation reactions may effectively act as donor activation and deactivation mechanisms, respectively, for VO0 in transition metal oxides.

  15. Experimental tests of garnet peridotite oxygen barometry

    NASA Astrophysics Data System (ADS)

    Gudmundsson, G.; Wood, B. J.

    1995-02-01

    We have performed experiments aimed at testing the calibration of oxygen barometers for the garnet peridotite [garnet (Gt)-olivine (Ol)-orthopyroxene (Opx)] phase assemblage. These involved equilibrating a thin layer of garnet sandwiched between layers of olivine and orthopyroxene at 1300° C and 25 35 kbar for 1 7 days. Oxygen fugacity was controlled (but not buffered) by using inner capsules of Fe Pt alloy or graphite or molybdenum sealed in welded Pt outer capsules. Post-experiment measurement of f O2 was made by determining the compositions of Pt Fe alloy sensors at the interface between garnet and olivine+orthopyroxene layers. The composition of alloy in equilibrium with olivine+orthopyroxene was approached from Fe-oversaturated and Fe-undersaturated conditions in the same experiment with, in general, excellent convergence. Product phase compositions were determined by electron microprobe and a piece of the garnet layer saved for 57Fe Mössbauer spectroscopy. The latter gave the Fe3+ content of the garnet at the measured P-T-f O2 conditions. Approach to equilibrium was checked by observed shifts in Fe3+ content and by the approach of garnet-olivine Fe Mg partitioning to the expected value. The compositions of the phases were combined with mixing properties and thermodynamic data to calculate an apparent f O2 from two possible garnet oxybarometers:- 2Ca3Fe2Si3O12Gt1+2Mg3Al2Si3O12Gt+4FeSiO3Opx=2Ca3Al2Si3O12Gt+8FeSi0.5O2Ol+6MgSiO3Opx+O2 (1) and 2Fe3Fe2Si3O12Gt=8FeSi0.5O2Ol+2FeSiO3Opx+O2(2) Comparison of calculated f O2s with those measured by the Pt-Fe sensors demonstrated that either barometer gives the correct answer within the expected uncertainty. Data from the first (Luth et al. 1990) has an uncertainty of about 1.6 log f O2 units, however, while that from equilibrium (2) (Woodland and O’Neill 1993) has an error of +/- 0.6 log units, comparable to that of the spinel peridotite oxybarometer. We therefore conclude that equilibrium (2) may be used to calculate the f O2 recorded by garnet peridotites with an uncertainty of about +/- 0.6 log units, providing the potential to probe the oxidation environment of the deep continental lithosphere. Preliminary application based on data from Luth et al. (1990) indicates that garnet peridotite xenoliths from Southern Africa record oxygen fugacities about 3.0 log units below the FMQ (fayalite-magnetite-quartz) buffer. These are substantially more reducing conditions than those recorded by continental spinel lherzolites which typically give oxygen fugacities close to FMQ (Wood et al. 1990).

  16. Utilizing Polymer-Coated Vials to Illustrate the Fugacity and Bioavailability of Chlorinated Pesticide Residues in Contaminated Soils

    ERIC Educational Resources Information Center

    Andrade, Natasha A.; McConnell, Laura L.; Torrents, Alba; Hapeman, Cathleen J.

    2013-01-01

    Fugacity and bioavailability can be used to facilitate students' understanding of potential environmental risks associated with toxic chemicals and, therefore, should be incorporated in environmental chemistry and science laboratories. Although the concept of concentration is easy to grasp, fugacity and bioavailability can be challenging…

  17. GASP: A computer code for calculating the thermodynamic and transport properties for ten fluids: Parahydrogen, helium, neon, methane, nitrogen, carbon monoxide, oxygen, fluorine, argon, and carbon dioxide

    Microsoft Academic Search

    R. C. Hendricks; A. K. Baron; I. C. Peller

    1975-01-01

    A FORTRAN IV subprogram called GASP is discussed which calculates the thermodynamic and transport properties for 10 pure fluids: parahydrogen, helium, neon, methane, nitrogen, carbon monoxide, oxygen, fluorine, argon, and carbon dioxide. The pressure range is generally from 0.1 to 400 atmospheres (to 100 atm for helium and to 1000 atm for hydrogen). The temperature ranges are from the triple

  18. A fugacity based multimedia environmental fate model of organic contaminants in Massachusetts Bay

    SciTech Connect

    Keys, D.; Shea, D. [North Carolina State Univ., Raleigh, NC (United States)

    1995-12-31

    A new sewage outfall is being constructed in Massachusetts Bay as part of the pollution abatement program in Boston Harbor. Previous models of potential environmental impact from the new sewage outfall in Massachusetts Bay have either relied upon hydrodynamic transport models that assume conservative behavior of the contaminants or on non-quantitative conceptual models of non-conservative behavior. The authors have found that a more quantitative mass balance model is necessary to better predict contaminant exposure resulting from effluent discharge through the new outfall. Hence, the authors have developed a time-variant, multimedia environmental model of organic contaminants in the air, water, and sediment phases of Massachusetts Bay. This model is based on the fugacity approach developed by Donald Mackay and is a level 4 unsteady-state model that includes flows through the system. Advection, reaction, and intermedia transport processes are incorporated into the model as first order rate processes and parameters for the model include environmental parameters, physical-chemical properties, contaminant loading estimates from major sources, and transport parameters. The model was applied to several organic contaminants found in Massachusetts Bay water and sediment: naphthalene, benzo(a)pyrene, fluoranthene, dieldrin, 4,4{prime}-DDT, and the polychlorinated biphenyl C16(153). Model output includes a steady-state bay-wide average of water and sediment concentrations, relative distribution of mass after one month at steady state, time to reach steady-state, and residence times. The calculated steady-state concentrations were compared to recent observed values. In addition, sensitivity analysis of the model was performed to indicate which model parameters are most sensitive to perturbation.

  19. Oxygen Fugacity of the Martian Mantle From Pyroxene/Melt Partitioning of REE

    NASA Technical Reports Server (NTRS)

    Musselwhite, D. S.; Jones, J. H.

    2003-01-01

    This study is part of an ongoing effort to calibrate the pyroxene/melt REE oxybarometer for conditions relevant to the martian meteorites. Redox variations have been reported among the shergottites. Wadhwa used the Eu and Gd augite/melt partitioning experiments of McKay, designed for the LEW86010 angrite, to infer a range of fo2 for the shergottites. Others inferred fo2 using equilibria between Fe-Ti oxides. There is fairly good agreement between the Fe-Ti oxide determinations and the estimates from Eu anomalies in terms of which meteorites are more or less oxidized. The Eu anomaly technique and the Fe-Ti oxide technique both essentially show the same trend, with Shergotty and Zagami being the most oxidized and QUE94201 and DaG 476 being the most reduced. Thus, the variation in fo2 appears to be both real and substantive. However, although the redox trends indicated by the two techniques are similar, there is as much as two log unit offset between the results of three researchers. One explanation for this offset is that the Eu calibration used for the shergottites was actually designed for the LEW86010 angrite, a silica-undersaturated basalt whose pyroxene (diopside) compositions are rather extreme. To correct this, experiments have been conducted on the redox relationship of Eu partitioning relative to Sm and Gd for pyroxene/melt compositions more relevant to Martian meteorites. We report here preliminary results for experiments on pigeonite/melt partitioning as a function of fO2.

  20. Accelerated materials design of Na0.5Bi0.5TiO3 oxygen ionic conductors based on first principles calculations.

    PubMed

    He, Xingfeng; Mo, Yifei

    2015-07-21

    We perform a first principles computational study of designing the Na0.5Bi0.5TiO3 (NBT) perovskite material to increase its oxygen ionic conductivity. In agreement with the previous experiments, our computation results confirm fast oxygen ionic diffusion and good stability of the NBT material. The oxygen diffusion mechanisms in this new material were systematically investigated, and the effects of local atomistic configurations and dopants on oxygen diffusion were revealed. Novel doping strategies focusing on the Na/Bi sublattice were predicted and demonstrated by the first principles calculations. In particular, the K doped NBT compound achieved good phase stability and an order of magnitude increase in oxygen ionic conductivity of up to 0.1 S cm(-1) at 900 K compared to the previous Mg doped compositions. This study demonstrated the advantages of first principles calculations in understanding the fundamental structure-property relationship and in accelerating the materials design of the ionic conductor materials. PMID:26098541

  1. Electronic structure of {delta}-Ta{sub 2}O{sub 5} with oxygen vacancy: ab initio calculations and comparison with experiment

    SciTech Connect

    Ivanov, Maxim V.; Perevalov, Timofey V.; Aliev, Vladimir S.; Gritsenko, Vladimir A. [A. V. Rzhanov Institute of Semiconductor Physics SB RAS, Novosibirsk, 630090 (Russian Federation); Kaichev, Vasily V. [Boreskov Institute of Catalysis SB RAS, Novosibirsk, 630090 (Russian Federation)

    2011-07-15

    Electronic structure of oxygen vacancies in Ta{sub 2}O{sub 5} have been studied theoretically by first-principles calculations and experimentally by x-ray photoelectron spectroscopy. Calculations of {delta}-Ta{sub 2}O{sub 5} were performed using density functional theory within gradient-corrected approximation with the +U approach. Results indicate that the oxygen vacancy causes a defect level in the energy gap at 1.2 eV above the top of the valence band. To produce oxygen vacancies, amorphous films of Ta{sub 2}O{sub 5} were bombarded with Ar{sup +} ions. XPS results indicate that the Ar-ion bombardment leads to the generation of the oxygen vacancies in Ta{sub 2}O{sub 5} that characterize the peak at 2 eV above the valence band. The calculated spectrum of crystalline {delta}-Ta{sub 2}O{sub 5} demonstrates qualitative correspondence with the XPS spectrum of the amorphous Ta{sub 2}O{sub 5} film after Ar-ion bombardment.

  2. Application of a fugacity model for assessing chemical fate in ecodistricts of southern Ontario

    Microsoft Academic Search

    W. G. Booty; I. W. S. Wong

    1996-01-01

    A fugacity model that was developed to assess the chemical fate of organic chemicals in regions of Canada has been incorporated into the RAISON (Regional Analysis by Intelligent Systems ON a microcomputer) expert system and has been modified and applied to ecodistricts of southern Ontario, Canada. The model is used to estimate a selected chemical's distribution between four bulk compartments

  3. Two-dimensional self-avoiding walks and polymer adsorption: Critical fugacity estimates

    E-print Network

    Guttman, Tony

    Two-dimensional self-avoiding walks and polymer adsorption: Critical fugacity estimates Nicholas R on the surface, are well-known and useful models of polymer adsorption, see [11, 21] for reviews. It is known [20B is Boltzmann's constant. If is sufficiently large and negative, the polymer adsorbs onto the surface, while

  4. Use of Physicochemical Parameters to Assess the Environmental Fate of Organic Pollutants: The Fugacity Model

    ERIC Educational Resources Information Center

    Domenech, Xavier; Ayllon, Jose Antonio; Peral, Jose

    2006-01-01

    The environmental fate and behavior of different organic pollutants based on the qualitative analysis of thermodynamic and kinetic data is presented. The Fugacity model allows the use of different partition constants in an easy way, to determine the distribution of chemical between different phases in equilibrium of an environmental system.

  5. Calculation of hydrogen and oxygen uptake in fuel rod cladding during severe accidents using the integral diffusion method -- Preliminary design report

    SciTech Connect

    Siefken, L.J.

    1999-02-01

    Preliminary designs are described for models of hydrogen and oxygen uptake in fuel rod cladding during severe accidents. Calculation of the uptake involves the modeling of seven processes: (1) diffusion of oxygen from the bulk gas into the boundary layer at the external cladding surface, (2) diffusion from the boundary layer into the oxide layer, (3) diffusion from the inner surface of the oxide layer into the metallic part of the cladding, (4) uptake of hydrogen in the event that the cladding oxide layer is dissolved in a steam-starved region, (5) embrittlement of cladding due to hydrogen uptake, (6) cracking of cladding during quenching due to its embrittlement and (7) release of hydrogen from the cladding after cracking of the cladding. An integral diffusion method is described for calculating the diffusion processes in the cladding. Experimental results are presented that show a rapid uptake of hydrogen in the event of dissolution of the oxide layer and a rapid release of hydrogen in the event of cracking of the oxide layer. These experimental results are used as a basis for calculating the rate of hydrogen uptake and the rate of hydrogen release. The uptake of hydrogen is limited to the equilibrium solubility calculated by applying Sievert's law. The uptake of hydrogen is an exothermic reaction that accelerates the heatup of a fuel rod. An embrittlement criteria is described that accounts for hydrogen and oxygen concentration and the extent of oxidation. A design is described for implementing the models for hydrogen and oxygen uptake and cladding embrittlement into the programming framework of the SCDAP/RELAP5 code. A test matrix is described for assessing the impact of the proposed models on the calculated behavior of fuel rods in severe accident conditions. This report is a revision and reissue of the report entitled; ``Preliminary Design Report for Modeling of Hydrogen Uptake in Fuel Rod Cladding During Severe Accidents.''

  6. Effects of oxygen vacancy on adhesion of incoherent metal\\/oxide interface by first-principles calculations

    Microsoft Academic Search

    Daisuke Matsunaka; Yoji Shibutani

    2010-01-01

    We investigate effects of oxygen vacancies on adhesion behavior of incoherent Ni\\/MgO(001) interface with large misfit, based on the density functional theory. We demonstrate that oxygen vacancies at any local atomic configuration of the incoherent geometry enhance the image-chargelike interaction between the ions in MgO and the ion-induced images in Ni, and stabilize adhesion of the Ni\\/MgO(001) interface. The adhesion

  7. Calculations of electronic states in perovskite-type oxide by the DV-X{alpha} method: The effects of oxygen defects

    SciTech Connect

    Goto, Kouichi; Munakata, Fumio; Yamanaka, Mitsuga [Nissan Research Center, Yokosuka (Japan)] [and others] [Nissan Research Center, Yokosuka (Japan); and others

    1995-10-01

    The effects of oxygen defects on the electronic states in the perovskite-type oxide, SrCoO{sub 3-{delta}}, were investigated by the DVX{alpha} molecular orbital method. The oxygen-defect model was constructed on the basis of the brownmillerite-type structure. The authors calculated four kinds of cluster models, corresponding to {delta}=0, 1/6, 1/3, and 1/2. The calculated energy of the O1s state in SrCoO{sub 3-{delta}} splits into two levels with the energy difference of 2 eV, which is consistent with the experimental results in La{sub 1-x}Sr{sub x}CoO{sub 3-{delta}} by X-ray photoelectron spectroscopy.

  8. Calculation of Hydrogen and Oxygen Uptake in Fuel Rod Cladding During Severe Accidents Using the Integral Diffusion Method - Final Design Report

    SciTech Connect

    Siefken, Larry James

    1999-06-01

    Final designs are described for models of hydrogen and oxygen uptake in fuel rod cladding during severe accidents. Calculation of the uptake involves the modeling of seven processes: (1) diffusion of oxygen from the bulk gas into the boundary layer at the external cladding surface, (2) diffusion from the boundary layer into the oxide layer, (3) diffusion from the inner surface of the oxide layer into the metallic part of the cladding, (4) uptake of hydrogen in the event that the cladding oxide layer is dissolved in a steam-starved region, (5) embrittlement of cladding due to hydrogen uptake, (6) cracking of cladding during quenching due to its embrittlement and (7) release of hydrogen from the cladding after cracking of the cladding. An integral diffusion method is described for calculating the diffusion processes in the cladding. Experimental results are presented that show a rapid uptake of hydrogen in the event of dissolution of the oxide layer and a rapid release of hydrogen in the event of cracking of the oxide layer. These experimental results are used as a basis for calculating the rate of hydrogen uptake and the rate of hydrogen release. A description is given of the implementation of the models for hydrogen and oxygen uptake and cladding embrittlement into the programming framework of the SCDAP/RELAP5/MOD3.3 code.

  9. Calculation of hydrogen and oxygen uptake in fuel rod cladding during severe accidents using the integral diffusion method -- Final Design Report

    SciTech Connect

    Siefken, L.J.

    1999-05-01

    Final designs are described for models of hydrogen and oxygen uptake in fuel rod cladding during severe accidents. Calculation of the uptake involves the modeling of seven processes: (1) diffusion of oxygen from the bulk gas into the boundary layer at the external cladding surface, (2) diffusion from the boundary layer into the oxide layer, (3) diffusion from the inner surface of the oxide layer into the metallic part of the cladding, (4) uptake of hydrogen in the event that the cladding oxide layer is dissolved in a steam-starved region, (5) embrittlement of cladding due to hydrogen uptake, (6) cracking of cladding during quenching due to its embrittlement and (7) release of hydrogen from the cladding after cracking of the cladding. An integral diffusion method is described for calculating the diffusion processes in the cladding. Experimental results are presented that show a rapid uptake of hydrogen in the event of dissolution of the oxide layer and a rapid release of hydrogen in the event of cracking of the oxide layer. These experimental results are used as a basis for calculating the rate of hydrogen uptake and the rate of hydrogen release. A description is given of the implementation of the models for hydrogen and oxygen uptake and cladding embrittlement into the programming framework of the SCDAP/RELAP5/MOD3.3 code.

  10. Two-dimensional self-avoiding walks and polymer adsorption: Critical fugacity estimates

    E-print Network

    Beaton, Nicholas R; Jensen, Iwan

    2011-01-01

    Recently Beaton, de Gier and Guttmann proved a conjecture of Batchelor and Yung that the critical fugacity of self-avoiding walks interacting with (alternate) sites on the surface of the honeycomb lattice is $1+\\sqrt{2}$. A key identity used in that proof depends on the existence of a parafermionic observable for self-avoiding walks interacting with a surface on the honeycomb lattice. Despite the absence of a corresponding observable for SAW on the square and triangular lattices, we show that in the limit of large lattices, some of the consequences observed for the honeycomb lattice persist irrespective of lattice. This permits the accurate estimation of the critical fugacity for the corresponding problem for the square and triangular lattices. We consider both edge and site weighting, and results of unprecedented precision are achieved. We also \\emph{prove} the corresponding result fo the edge-weighted case for the honeycomb lattice.

  11. First Principles Calculations of Oxygen Vacancy Formation and Migration in Ba1?xSrxCo1?yFeyO3?? Perovskites

    SciTech Connect

    Merkle, Rotraut; Mastrikov, Yuri; Kotomin, Eugene Alexej; Kukla, Maija M.; Maier, Joachim

    2011-12-28

    Based on first principles DFT calculations, we analyze oxygen vacancy formation and migration energies as a function of chemical composition in complex multicomponent (Ba,Sr)(Co,Fe)O3?? perovskites which are candidate materials for SOFC cathodes and permeation membranes. The atomic relaxation, electronic charge redistribution and energies of the transition states of oxygen migration are compared for several perovskites to elucidate the atomistic reason for the exceptionally low migration barrier in Ba0.5Sr0.5Co0.8Fe0.2O3?? that was previously determined experimentally. The critical comparison of Ba1?xSrxCo1?yFeyO3?? perovskites with different cation compositions and arrangements shows that in addition to the geometric constraints the electronic structure plays a considerable role for the height of the oxygen migration barrier in these materials. These findings help understand advantages and limitations of the fast oxygen permeation and exchange properties of Ba0.5Sr0.5Co0.8Fe0.2O3??.

  12. The Critical Fugacity for Surface Adsorption of Self-Avoiding Walks on the Honeycomb Lattice is

    NASA Astrophysics Data System (ADS)

    Beaton, Nicholas R.; Bousquet-Mélou, Mireille; de Gier, Jan; Duminil-Copin, Hugo; Guttmann, Anthony J.

    2014-03-01

    In 2010, Duminil-Copin and Smirnov proved a long-standing conjecture of Nienhuis, made in 1982, that the growth constant of self-avoiding walks on the hexagonal (a.k.a. honeycomb) lattice is . A key identity used in that proof was later generalised by Smirnov so as to apply to a general O( n) loop model with (the case n = 0 corresponding to self-avoiding walks). We modify this model by restricting to a half-plane and introducing a surface fugacity y associated with boundary sites (also called surface sites), and obtain a generalisation of Smirnov's identity. The critical value of the surface fugacity was conjectured by Batchelor and Yung in 1995 to be . This value plays a crucial role in our generalized identity, just as the value of the growth constant did in Smirnov's identity. For the case n = 0, corresponding to self-avoiding walks interacting with a surface, we prove the conjectured value of the critical surface fugacity. A crucial part of the proof involves demonstrating that the generating function of self-avoiding bridges of height T, taken at its critical point 1/ ?, tends to 0 as T increases, as predicted from SLE theory.

  13. Scaling of Gene Expression with Transcription-Factor Fugacity

    NASA Astrophysics Data System (ADS)

    Weinert, Franz M.; Brewster, Robert C.; Rydenfelt, Mattias; Phillips, Rob; Kegel, Willem K.

    2014-12-01

    The proteins associated with gene regulation are often shared between multiple pathways simultaneously. By way of contrast, models in regulatory biology often assume these pathways act independently. We demonstrate a framework for calculating the change in gene expression for the interacting case by decoupling repressor occupancy across the cell from the gene of interest by way of a chemical potential. The details of the interacting regulatory architecture are encompassed in an effective concentration, and thus, a single scaling function describes a collection of gene expression data from diverse regulatory situations and collapses it onto a single master curve.

  14. Scaling of Gene Expression with Transcription-Factor Fugacity

    PubMed Central

    Weinert, Franz M.; Brewster, Robert C.; Rydenfelt, Mattias; Phillips, Rob; Kegel, Willem K.

    2015-01-01

    The proteins associated with gene regulation are often shared between multiple pathways simultaneously. By way of contrast, models in regulatory biology often assume these pathways act independently. We demonstrate a framework for calculating the change in gene expression for the interacting case by decoupling repressor occupancy across the cell from the gene of interest by way of a chemical potential. The details of the interacting regulatory architecture are encompassed in an effective concentration, and thus, a single scaling function describes a collection of gene expression data from diverse regulatory situations and collapses it onto a single master curve. PMID:25554908

  15. Predicting PCB concentrations in cow milk: validation of a fugacity model in high-mountain pasture conditions.

    PubMed

    Tremolada, Paolo; Guazzoni, Niccolò; Parolini, Marco; Rossaro, Bruno; Bignazzi, Marta Maria; Binelli, Andrea

    2014-07-15

    A fugacity model reported in the literature was applied to a high-altitude pasture in the Italian Alps. The model takes into account three compartments (digestive tract, blood and fat tissues) in unsteady-state conditions using food as the contamination source. Disregarding biotransformation inside cow tissues, the predicted concentrations of 14 polychlorinated biphenyls (PCBs) in milk were in good agreement with the observed data, especially for congeners known for their resistance to biotransformation (e.g., CB-138 and 153). In contrast, the predicted concentrations were clearly overestimated for congeners with high biotransformation susceptibilities. Therefore data measured in milk and faeces were used to calculate the first-order-biotransformation rate constants in dairy cows. The PCB absorption efficiency observed for pasture conditions was lower than that observed in the cowshed. The final version of the model included biotransformation and observed PCB absorption and was able to predict PCB concentrations in cow milk with mean differences between the predicted and measured data below ± 20% for most congeners. PMID:24802270

  16. Simulation of the Fate and Seasonal Variations of ?-Hexachlorocyclohexane in Lake Chaohu Using a Dynamic Fugacity Model

    PubMed Central

    Kong, Xiang-zhen; He, Wei; Qin, Ning; He, Qi-Shuang; Yang, Bin; Ouyang, Huiling; Wang, Qingmei; Yang, Chen; Jiang, Yujiao; Xu, Fuliu

    2012-01-01

    Fate and seasonal variations of ?-hexachlorocyclohexane (?-HCH) were simulated using a dynamic fugacity model in Lake Chaohu, China. Sensitivity analyses were performed to identify influential parameters and Monte Carlo simulation was conducted to assess model uncertainty. The calculated and measured values of the model were in good agreement except for suspended solids, which might be due to disregarding the plankton in water. The major source of ?-HCH was an input from atmospheric advection, while the major environmental outputs were atmospheric advection and sediment degradation. The net annual input and output of ?-HCH were approximately 0.294?t and 0.412?t, respectively. Sediment was an important sink for ?-HCH. Seasonal patterns in various media were successfully modeled and factors leading to this seasonality were discussed. Sensitivity analysis found that parameters of source and degradation were more important than the other parameters. The sediment was influenced more by various parameters than air and water were. Temperature variation had a greater impact on the dynamics of the model output than other dynamic parameters. Uncertainty analysis showed that the model uncertainty was relatively low but significantly increased in the second half of the simulation period due to the increase in the gas-water diffusion flux variability. PMID:23365527

  17. Inelastic collisions in molecular oxygen at low temperature (4 <= T <= 34 K). Close-coupling calculations versus experiment

    NASA Astrophysics Data System (ADS)

    Pérez-Ríos, J.; Tejeda, G.; Fernández, J. M.; Hernández, M. I.; Montero, S.

    2011-05-01

    Close-coupling calculations and experiment are combined in this work, which is aimed at establishing a set of state-to-state rate coefficients for elementary processes ij ? ?m in O2:O2 collisions at low temperature involving the rotational states i, j, ?, m of the vibrational ground state of 16O2(^3? _g^-). First, a set of cross sections for inelastic collisions is calculated as a function of the collision energy at the converged close-coupled level via the MOLSCAT code, using a recent ab-initio potential energy surface for O2-O2 [M. Bartolomei et al., J. Chem. Phys. 133, 124311 (2010), 10.1063/1.3479395]. Then, the corresponding rates for the temperature range 4 ? T ? 34 K are derived from the cross sections. The link between theory and experiment is a Master Equation which accounts for the time evolution of rotational populations in a reference volume of gas in terms of the collision rates. This Master Equation provides a linear function of the rates for each rotational state and temperature. In the experiment, the evolution of rotational populations is measured by Raman spectroscopy in a tiny reference volume (?2 × 10-4 mm3) of O2 travelling along the axis of a supersonic jet at a velocity of ?700 m/s. The accuracy of the calculated rates is assessed experimentally for 10 ? T ? 34 K by means of the Master Equation. The rates, jointly with their confidence interval estimated by Monte Carlo simulation, account to within the experimental uncertainty for the evolution of the populations of the N = 1, 3, 5, 7 rotational triads along the supersonic jet. Confidence intervals range from ?6% for the dominant rates at 34 K, up to ?17% at 10 K. These results provide an experimental validation of state-to-state rates for O2:O2 inelastic collisions calculated in the close-coupling approach and, indirectly, of the anisotropy of the O2-O2 intermolecular potential employed in the calculation for energies up to 300 cm-1.

  18. Oxygen isotope fractionation factors involving cassiterite (SnO 2): I. calculation of reduced partition function ratios from heat capacity and X-ray resonant studies

    NASA Astrophysics Data System (ADS)

    Polyakov, V. B.; Mineev, S. D.; Clayton, R. N.; Hu, G.; Gurevich, V. M.; Khramov, D. A.; Gavrichev, K. S.; Gorbunov, V. E.; Golushina, L. N.

    2005-03-01

    Oxygen isotope equilibrium fractionation constants (? 18O-factors) of cassiterite were evaluated on the basis of heat capacity and X-ray resonant (Mössbauer spectroscopy and X-ray inelastic scattering) data. The low-temperature heat capacity of cassiterite was measured in the range from 13 to 340 K using an adiabatic calorimeter. Results of measurements of two samples agree very closely but deviate more than 5% from previous heat capacity data used for calculation of thermodynamic functions. The temperature dependence of heat capacity was treated using the modern version of the Thirring expansion, and the appropriate temperature dependence of the vibrational kinetic energy was found. Measurements of temperature-dependent Mössbauer parameters of cassiterite were conducted in the range from 300 to 900 K. The attempt to describe Mössbauer fraction and the second order Doppler (SOD) shift on the basis of the Debye model failed. The first term of the Thirring expansion of the Mössbauer SOD shift agrees with that calculated from the Sn sublattice vibration density of states (VDOS) obtained via synchrotron X-ray scattering. Based on this agreement we calculated the kinetic energy of the cassiterite Sn sublattice from VDOS. From the kinetic energy of the total cassiterite crystalline lattice and its Sn sublattice, ? 18O-factors of cassiterite were computed in the temperature range 300-1500 K by the method of Polyakov and Mineev (2000). Appropriate polynomials, which are valid at temperatures above 400 K, are the following:

  19. A model-free method for mass spectrometer response correction. [for oxygen consumption and cardiac output calculation

    NASA Technical Reports Server (NTRS)

    Shykoff, Barbara E.; Swanson, Harvey T.

    1987-01-01

    A new method for correction of mass spectrometer output signals is described. Response-time distortion is reduced independently of any model of mass spectrometer behavior. The delay of the system is found first from the cross-correlation function of a step change and its response. A two-sided time-domain digital correction filter (deconvolution filter) is generated next from the same step response data using a regression procedure. Other data are corrected using the filter and delay. The mean squared error between a step response and a step is reduced considerably more after the use of a deconvolution filter than after the application of a second-order model correction. O2 consumption and CO2 production values calculated from data corrupted by a simulated dynamic process return to near the uncorrupted values after correction. Although a clean step response or the ensemble average of several responses contaminated with noise is needed for the generation of the filter, random noise of magnitude not above 0.5 percent added to the response to be corrected does not impair the correction severely.

  20. Factors affecting the accuracy of near-infrared spectroscopy concentration calculations for focal changes in oxygenation parameters

    NASA Technical Reports Server (NTRS)

    Strangman, Gary; Franceschini, Maria Angela; Boas, David A.; Sutton, J. P. (Principal Investigator)

    2003-01-01

    Near-infrared spectroscopy (NIRS) can be used to noninvasively measure changes in the concentrations of oxy- and deoxyhemoglobin in tissue. We have previously shown that while global changes can be reliably measured, focal changes can produce erroneous estimates of concentration changes (NeuroImage 13 (2001), 76). Here, we describe four separate sources for systematic error in the calculation of focal hemoglobin changes from NIRS data and use experimental methods and Monte Carlo simulations to examine the importance and mitigation methods of each. The sources of error are: (1). the absolute magnitudes and relative differences in pathlength factors as a function of wavelength, (2). the location and spatial extent of the absorption change with respect to the optical probe, (3). possible differences in the spatial distribution of hemoglobin species, and (4). the potential for simultaneous monitoring of multiple regions of activation. We found wavelength selection and optode placement to be important variables in minimizing such errors, and our findings indicate that appropriate experimental procedures could reduce each of these errors to a small fraction (<10%) of the observed concentration changes.

  1. Utilizing polymer-coated vials to illustrate the fugacity and bioavailability of chlorinated pesticide residues in contaminated soils

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Fugacity and bioavailability concepts can be challenging topics to communicate effectively in the timeframe of an academic laboratory course setting. In this experiment, students observe partitioning of the residues over time into an artificial biological matrix. The three compounds utilized are o...

  2. Investigations of the air/plant partitioning of semivolatile organic compounds using a fugacity meter

    SciTech Connect

    Tolls, J.; McLachlan, M.S. [Univ. of Bayreuth (Germany)

    1994-12-31

    A solid phase fugacity meter was used to investigate the transport kinetics and steady-state partitioning of semivolatile organic compounds between the gas phase and leaves of Lolium multiflorum (Welsh ray grass). The grass air partition coefficients determined for grass concentrations ranging over several orders of magnitude were in good agreement with each other for each compound. The average partition coefficients correlated well with the octanol/air partition coefficients. The kinetic behavior was described using a two-compartment model consisting of a small surface compartment and a large interior reservoir compartment. The results of this study support the hypothesis that vegetation plays an important role in the fate of lipophilic organic compounds in the terrestrial environment.

  3. Thermodynamics of Si(OH)4 in the vapor phase of water: Henry’s and vapor-liquid distribution constants, fugacity and cross virial coefficients

    NASA Astrophysics Data System (ADS)

    Plyasunov, Andrey V.

    2012-01-01

    The fugacity coefficients of Si(OH)4 are evaluated from solubilities of solid phases of SiO2 in the vapor phase of water. The virial equation of state, truncated at the third virial coefficient, is employed to describe the fugacity coefficients of Si(OH)4. The temperature dependencies of the second, B12, and the third, C112, cross virial coefficients for H2O-Si(OH)4 interactions are approximated by empirical relations. It is found that silica-water interactions in the vapor phase are significantly more non-ideal compared to water-water interactions. Knowledge of B12 and C112 allows calculation of solubilities of quartz (Q) and amorphous silica (AS) in steam up to the density of 200 kg m-3 in satisfactory agreement with available data, and should provide reasonable solubility values at temperatures where no experimental results exist. The calculated values of the solubility of Q and AS in saturated vapor up to the critical temperature of water, Tc, are tabulated. The partial molar properties of dilute solutes close to the critical point of water are governed by the Krichevskii parameter, the value of which for Si(OH)4 is evaluated from available data (mainly vapor-liquid distribution constants for silica) to be equal to -187 ± 10 MPa. The knowledge of the thermodynamic properties of Si(OH)4 in the ideal gas state and in the state of the standard solution in liquid water allows calculating Henry’s constant, kH, for Si(OH)4 up to 623.15 K at water saturation pressure P1?. The theoretically-based equation, containing the Krichevskii parameter, allows extrapolating kH values all the way toward the critical temperature of water. This, in turn, makes possible calculation of the solubility of quartz and amorphous silica in liquid water at P1? at all temperatures up to Tc. The presented results should be useful for modeling solid-liquid-vapor, solid-vapor and liquid-vapor equilibria in the H2O-SiO2 system at steam densities up to 200 kg m-3.

  4. JSC systems using solid ceramic oxygen electrolyte cells to measure oxygen fugacites in gas-mixing systems

    NASA Technical Reports Server (NTRS)

    Williams, R. J.; Mullins, O.

    1981-01-01

    Details are given for the construction and operation of a 101.3 KN/sq meter (1 atmosphere) redox control system. A solid ceramic oxygen electrolyte cell is used to monitor the oxygen fugacity in the furnace. The system consists of a vertical quench gas mixing furnace with heads designed for mounting the electrolyte cell and with facilities for inserting and removing the samples, a simplified version of a gas mixing apparatus, and devices for experiments under controlled rates of change of temperature. A thermogravimetric analysis system employing these techniques of redox control and measurement is also described. The calibration and maintenance of the system are discussed.

  5. The Effects of Oxygen Fugacity on the Crystallization Sequence and Cr Partitioning of an Analog Y-98 Liquid

    NASA Technical Reports Server (NTRS)

    Bell, A. S.; Burger, P. V.; Le, Loan; Papike, J. J.; Jones, J.; Shearer, C. K.

    2013-01-01

    Interpreting the relationship between "enriched" olivine-phyric shergottites (e.g. NWA 1068/1110) and the "enriched" pyroxene-plagioclase shergottites (e.g. Shergotty, Los Angeles) is problematic. Symes et al. [1] and Shearer et al. [2]) proposed that the basaltic magma that crystallized to produce olivine-phyric shergottite NWA 1068/1110 could produce pyroxene-plagioclase shergottites with additional fractional crystallization. However, additional observations indicate that the relationship among the enriched shergottites may be more complex [1-3]. For example, Herd [3] concluded that some portion of the olivine megacrysts in this meteorite was xenocrystic in origin, seemingly derived from more reduced basaltic liquids. This conclusion may imply that a variety of complex processes such as magma mixing, entrainment, and assimilation may play important roles in the petrologic history of these meteorites. It is therefore possible that these processes have obscured the petrogenetic linkages between the enriched olivine-phyric shergottites and the pyroxene-plagioclase shergottites. As a first order step in attempting to unravel these petrologic complexities, this study focuses upon exploring the effect of fO2 on the crystallization history for an analog primitive shergottite liquid composition (Y98). Results from this work will provide a basis for reconstructing the record of fO2 in shergottites, its effect on both mineral chemistries and valence state partitioning, and a means for examining the role of crystallization on the petrologic linkages between olivine-phyric and pyroxene-plagioclase shergottites. A companion abstract [4] explores the behavior of V over this range of fO2.

  6. Valence State Partitioning of Cr and V Between Pyroxene - Melt: Estimates of Oxygen Fugacity for Martian Basalt QUE 94201

    NASA Technical Reports Server (NTRS)

    Karner, J. M.; Papike, J. J.; Shearer, C. K.; McKay, G.; Le, L.; Burger, P.

    2007-01-01

    Several studies, using different oxybarometers, have suggested that the variation of fO2 in martian basalts spans about 3 log units from approx. IW-1 to IW+2. The relatively oxidized basalts (e.g., pyroxene-phyric Shergotty) are enriched in incompatible elements, while the relatively reduced basalts (e.g., olivine-phyric Y980459) are depleted in incompatible elements. A popular interpretation of the above observations is that the martian mantle contains two reservoirs; 1) oxidized and enriched, and 2) reduced and depleted. The basalts are thus thought to represent mixing between these two reservoirs. Recently, Shearer et al. determined the fO2 of primitive olivine-phyric basalt Y980459 to be IW+0.9 using the partitioning of V between olivine and melt. In applying this technique to other basalts, Shearer et al. concluded that the martian mantle shergottite source was depleted and varied only slightly in fO2 (IW to IW+1). Thus the more oxidized, enriched basalts had assimilated a crustal component on their path to the martian surface. In this study we attempt to address the above debate on martian mantle fO2 using the partitioning of Cr and V into pyroxene in pyroxene-phyric basalt QUE 94201.

  7. Nature Macmillan Publishers Ltd 1997 of composition, temperature, oxygen fugacity and pressure on their redox states. Contrib. Mineral.

    E-print Network

    Dominey, Peter F.

    of interest can be defined with respect to the observer's head if the position of the eyes in the orbit for the selected part of the body, such as the eye, head or arms1­4 . To achieve this transformation, visual parietal lobe, the ventral intraparietal area (VIP), the activity of visual neurons is modulated by eye

  8. High Pressure Effects on the Iron-Iron Oxide and Nickel-Nickel Oxide Oxygen Fugacity Buffers

    E-print Network

    Campbell, Andrew

    as temperature or pressure in controlling the chemical and physical behavior of minerals. Variations these buffers change with pressure; otherwise the redox dependence determined by comparison of differently July 16, 2009 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 2 #12;Abstract The chemical

  9. Methane origin and oxygen-fugacity evolution of the Baogutu reduced porphyry Cu deposit in the West Junggar terrain, China

    NASA Astrophysics Data System (ADS)

    Shen, Ping; Pan, HongDi

    2015-03-01

    Most porphyry copper deposits worldwide contain magnetite, hematite, and anhydrite in equilibrium with hypogene copper-iron sulfides (chalcopyrite, bornite) and have fluid inclusions with CO2 >> CH4 that are indicative of high fO2. In contrast, the Baogutu porphyry Cu deposit in the West Junggar terrain (Xinjiang, China) lacks hematite and anhydrite, contains abundant pyrrhotite and ilmenite in equilibrium with copper-iron sulfides (chalcopyrite), and has fluid inclusions with CH4 >> CO2 that are indicative of low fO2. The mineralized intrusive phases at Baogutu include the main-stage diorite stock and minor late-stage diorite porphyry dikes. The main-stage stock underwent fractional crystallization and country-rock assimilation-contamination, and consists of dominant diorite and minor gabbro and tonalite porphyry. The country rocks contain organic carbons (0.21-0.79 wt.%). The ?13CvPDB values of the whole rocks (-23.1 to -25.8 ‰) in the wall rocks suggest a sedimentary organic carbon source. The ?13CvPDB values of CH4 (-28.2 to -36.0 ‰) and CO2 (-6.8 to -20.0 ‰) in fluid inclusions require an organic source of external carbon and equilibration of their ?13CCO2-CH4 values (8.2-25.0 ‰) at elevated temperatures (294-830 °C) suggesting a significant contribution of thermogenic CH4. Mineral composition data on the main-stage intrusions, such as clinopyroxene, hornblende, biotite, magnetite, ilmenite, sphene, apatite, and pyrrhotite, suggest that the primary magma at Baogutu was oxidized and became reduced after emplacement by contamination with country rocks. Mineral compositions and fluid inclusion gas compositions suggest that the redox state of the system evolved from logfO2 > FMQ + 1 in the magma stage, to logfO2 < FMQ as a consequence of country rocks assimilation-contamination, to logfO2 > FMQ in the hydrothermal stage. Though oxidized magma was emplaced initially, assimilation-contamination of carbonaceous country rocks decreased its fO2 such that exsolved fluids contained abundant CH4 and deposited a reduced assemblage of minerals.

  10. Sine-Gordon Theory for the Equation of State of Classical Hard-Core Coulomb Systems. I. Low Fugacity Expansion

    Microsoft Academic Search

    Jean-Michel Caillol; Jean-Luc Raimbault

    2001-01-01

    We present an exact field theoretical representation of the statistical mechanics of classical hard-core Coulomb systems. This approach generalizes the usual sine-Gordon theory valid for point-like charges or lattice systems to continuous Coulomb fluids with additional short-range interactions. This formalism is applied to derive the equation of state of the restricted primitive model of electrolytes in the low fugacity regime

  11. Oxygen Therapy

    MedlinePLUS

    Oxygen therapy is a treatment that provides you with extra oxygen. Oxygen is a gas that your body needs to function. Normally, your lungs absorb ... in your home. A different kind of oxygen therapy is called hyperbaric oxygen therapy. It uses oxygen ...

  12. Erratum: Probabilistic application of a fugacity model to predict triclosan fate during wastewater treatment.

    PubMed

    Bock, Michael; Lyndall, Jennifer; Barber, Timothy; Fuchsman, Phyllis; Perruchon, Elyse; Capdevielle, Marie

    2010-10-01

    The fate and partitioning of the antimicrobial compound, triclosan, in wastewater treatment plants (WWTPs) is evaluated using a probabilistic fugacity model to predict the range of triclosan concentrations in effluent and secondary biosolids. The WWTP model predicts 84% to 92% triclosan removal, which is within the range of measured removal efficiencies (typically 70% to 98%). Triclosan is predominantly removed by sorption and subsequent settling of organic particulates during primary treatment and by aerobic biodegradation during secondary treatment. Median modeled removal efficiency due to sorption is 40% for all treatment phases and 31% in the primary treatment phase. Median modeled removal efficiency due to biodegradation is 48% for all treatment phases and 44% in the secondary treatment phase. Important factors contributing to variation in predicted triclosan concentrations in effluent and biosolids include influent concentrations, solids concentrations in settling tanks, and factors related to solids retention time. Measured triclosan concentrations in biosolids and non-United States (US) effluent are consistent with model predictions. However, median concentrations in US effluent are over-predicted with this model, suggesting that differences in some aspect of treatment practices not incorporated in the model (e.g., disinfection methods) may affect triclosan removal from effluent. Model applications include predicting changes in environmental loadings associated with new triclosan applications and supporting risk analyses for biosolids-amended land and effluent receiving waters. PMID:20824886

  13. Probabilistic application of a fugacity model to predict triclosan fate during wastewater treatment.

    PubMed

    Bock, Michael; Lyndall, Jennifer; Barber, Timothy; Fuchsman, Phyllis; Perruchon, Elyse; Capdevielle, Marie

    2010-07-01

    The fate and partitioning of the antimicrobial compound, triclosan, in wastewater treatment plants (WWTPs) is evaluated using a probabilistic fugacity model to predict the range of triclosan concentrations in effluent and secondary biosolids. The WWTP model predicts 84% to 92% triclosan removal, which is within the range of measured removal efficiencies (typically 70% to 98%). Triclosan is predominantly removed by sorption and subsequent settling of organic particulates during primary treatment and by aerobic biodegradation during secondary treatment. Median modeled removal efficiency due to sorption is 40% for all treatment phases and 31% in the primary treatment phase. Median modeled removal efficiency due to biodegradation is 48% for all treatment phases and 44% in the secondary treatment phase. Important factors contributing to variation in predicted triclosan concentrations in effluent and biosolids include influent concentrations, solids concentrations in settling tanks, and factors related to solids retention time. Measured triclosan concentrations in biosolids and non-United States (US) effluent are consistent with model predictions. However, median concentrations in US effluent are over-predicted with this model, suggesting that differences in some aspect of treatment practices not incorporated in the model (e.g., disinfection methods) may affect triclosan removal from effluent. Model applications include predicting changes in environmental loadings associated with new triclosan applications and supporting risk analyses for biosolids-amended land and effluent receiving waters. PMID:20821703

  14. The Gibbs free energy of mixing of natural silicate liquids; an expanded regular solution approximation for the calculation of magmatic intensive variables

    Microsoft Academic Search

    Mark S. Ghiorso; Ian S. E. Carmichael; Mark L. Rivers; Richard O. Sack

    1983-01-01

    The compositions of liquids coexisting with experimentally grown crystals of olivine, plagioclase, clinopyroxene, orthopyroxene, leucite, spinel, rhombohedral oxide, melilite and potassium feldspar are used to define, through mass action expressions of liquid\\/solid equilibrium, compositional derivatives of the Gibbs free energy of mixing of naturally occuring silicate liquids as a function of temperature, pressure and the fugacity of oxygen. The available

  15. Applying the Ce-in-zircon oxygen geobarometer to diverse silicic magmatic systems

    NASA Astrophysics Data System (ADS)

    Claiborne, L. L.; Miller, C. F.

    2012-12-01

    Zircon provides information on age, temperature, and composition of the magma from which it grew. In systems such as Mount St. Helens, where zircon is not coeval with the rest of the crystal cargo, it provides the only accessible record of the extended history of the magmatic system, including cycles of intrusion, crystallization and rejuvenation beneath an active volcano (Claiborne et al., 2010). The rare earth elements, which are present in measureable quantities in zircon, provide information about the composition of the magma from which zircon grew. Unique among the generally trivalent rare earth elements, cerium can exist as either trivalent or tetravalent, depending on the oxidation state of the magma. The tetravalent ion is highly compatible in zircon, in the site that usually hosts tetravalent zirconium, and so the amount of Cerium in zircon relative (relative to what would be expected of trivalent Ce) depends the oxidation state of the magma from which it grew. Trail et al. (2011) proposed a calibration based on experimental data that uses the Ce anomaly in zircon as a direct proxy for magma oxidation (fugacity), describing the relationship between Ce in zircon and magma oxygen fugacity as ln(Ce/Ce*)D = (0.1156±0.0050)xln(fO2)+(13860±708)/T-(6.125±0.484). For systems like Mount St. Helens, where the major minerals record only events in the hundreds to thousands of years leading to eruption, (including the Fe-Ti oxides traditionally relied upon for records of oxidation state of the magmas), this presents a novel approach for understanding more extended histories of oxidation of magmas in the tens and hundreds of thousands of years of magmatism at a volcanic center. This calibration also promises to help us better constrain conditions of crystallization in intrusive portions of volcanic systems, as well as plutonic bodes. We apply this new oxygen geobarometer to natural volcanic and plutonic zircons from a variety of tectonic settings, and compare to existing indicators of oxidation state for each system, as available. Zircons included this study are from Mount St. Helens (?NNO +1.5 log units; Smith, 1984), the Peach Spring Tuff and Spirit Mountain Batholith (sphene-bearing, silicic, Miocene-aged rocks from the Colorado River Extensional Corridor), Alid Volcano in Eritrea, and rhyolites and granites from Iceland. Median log fO2 for these systems, calculated from the Cerium anomaly in zircons following Trail et al. (2011) using temperatures from Ti-in-zircon thermometry (Ferry and Watson, 2007) are as follows: Alid -12 bars (?NNO +3 log units) at 750 degrees C; Iceland -11 bars (?NNO +3 log units) at 800 degrees C; Mount St. Helens -8.6 bars (?NNO +6 log units) at 750 degrees C; Peach Spring Tuff -3.4 (?NNO +10 log units) at 830 degrees C. While ubiquitous sphene in the Spirit Mountain granites suggest relatively high fO2, calculations based on the cerium anomaly in zircon suggest median log fO2 of >0 at 770 degrees C, which is certainly erroneous. While median values for our natural zircons are, for the most part, above expected fugacities for each system when compared with other indicators, and extreme values for each system are almost certainly erroneous, many are within expected values for terrestrial magmas and they vary relative to one another as might be expected given the magma types and tectonic settings.

  16. Supplemental Oxygen (Oxygen Therapy)

    MedlinePLUS

    ... gas and is non-flammable, however, it supports combustion. Materials burn more readily in an oxygen-enriched ... avoid using lotions or creams containing petroleum. The combustion of flammable products containing petroleum can also be ...

  17. Coulomb interaction in oxygen \\\\textit{p}-shell in LDA+U method and its influence on calculated spectral and magnetic properties of transition metal oxides

    Microsoft Academic Search

    I. A. Nekrasov; M. A. Korotin; V. I. Anisimov

    2000-01-01

    Coulomb interaction between electrons on p-orbitals of oxygen atom in strongly correlated compounds is not negligible, since its value (U_p) has comparable order of magnitude with the value of Coulomb interaction on d-orbitals of transition metal atom (U_d). We investigate the effect of taking into account Coulomb correlations in oxygen p-shell in addition to the correlations in the transition metal

  18. Risk assessment of butyltins based on a fugacity-based food web bioaccumulation model in the Jincheng Bay mariculture area: I. Model development.

    PubMed

    Hu, Yanbing; Gong, Xianghong; Xu, Yingjiang; Song, Xiukai; Liu, Huihui; Deng, Xuxiu; Ru, Shaoguo

    2014-08-01

    A fugacity-based model was developed to simulate the bioaccumulation of butyltins in the food web of the Jincheng Bay mariculture area. The predicted biological tissue residues of tributyltin (TBT), dibutyltin (DBT), and monobutyltin (MBT) were 0.04-17.09, 0.14-53.54, and 0.27-108.77 ng-Sn g(-1), respectively, and the predicted values in six mollusca agreed well with the measured ones. The lipid-normalized concentrations did not significantly increase across trophic levels, indicating no biomagnification across aquatic food webs. These results were highly consistent with those observed both in the laboratory and field, which had been reported in numerous references. The explanation, from calculating their flux equilibrium in the food web, was that butyltins were primarily taken in via respiration from the water column by marine organisms. The sensitivities of the model parameters were analyzed, revealing that the hydrophobicity of butyltins played the dominant role in their bioaccumulation phenomena. The verified model predictions of the biotic tissue concentrations of the butyltins could be readily applied to perform internal ecological risk and human health risk assessments in this area. PMID:24943870

  19. Non-Maxwellian velocity distribution functions associated with steep temperature gradients in the solar transition region. Paper 2: The effect of non-Maxwellian electron distribution functions on ionization equilibrium calculations for carbon, nitrogen and oxygen

    NASA Technical Reports Server (NTRS)

    Roussel-Dupre, R.

    1979-01-01

    Non-Maxwellian electron velocity distribution functions, previously computed for Dupree's model of the solar transition region are used to calculate ionization rates for ions of carbon, nitrogen, and oxygen. Ionization equilibrium populations for these ions are then computed and compared with similar calculations assuming Maxwellian distribution functions for the electrons. The results show that the ion populations change (compared to the values computed with a Maxwellian) in some cases by several orders of magnitude depending on the ion and its temperature of formation.

  20. Coulomb interaction in oxygen \\\\textit{p}-shell in LDA+U method and its influence on calculated spectral and magnetic properties of transition metal oxides

    Microsoft Academic Search

    I. A. Nekrasov; M. A. Korotin; V. I. Anisimov

    2000-01-01

    Coulomb interaction between electrons on p-orbitals of oxygen atom in\\u000astrongly correlated compounds is not negligible, since its value (U_p) has\\u000acomparable order of magnitude with the value of Coulomb interaction on\\u000ad-orbitals of transition metal atom (U_d). We investigate the effect of taking\\u000ainto account Coulomb correlations in oxygen p-shell in addition to the\\u000acorrelations in the transition metal

  1. Measuring tissue oxygenation

    NASA Technical Reports Server (NTRS)

    Soyemi, Olusola O. (Inventor); Soller, Babs R. (Inventor); Yang, Ye (Inventor)

    2009-01-01

    Methods and systems for calculating tissue oxygenation, e.g., oxygen saturation, in a target tissue are disclosed. In some embodiments, the methods include: (a) directing incident radiation to a target tissue and determining reflectance spectra of the target tissue by measuring intensities of reflected radiation from the target tissue at a plurality of radiation wavelengths; (b) correcting the measured intensities of the reflectance spectra to reduce contributions thereto from skin and fat layers through which the incident radiation propagates; (c) determining oxygen saturation in the target tissue based on the corrected reflectance spectra; and (d) outputting the determined value of oxygen saturation.

  2. Labview Based Dissolved Oxygen Sensor

    Microsoft Academic Search

    Fenghong Chu; Junjie Yang

    2009-01-01

    A dissolved oxygen sensor based on data acquisition card and Labview was studied in this paper. The stimulated light and fluorescence light signal was fed to the data acquisition card of the computer, and by Labview software we calculated the fluorescence lifetime, based on the relationship between fluorescence lifetime and dissolved oxygen concentration we got the dissolved oxygen concentration.

  3. Substantiation of the two-temperature kinetic model by comparing calculations within the kinetic and fluid models of the positive column plasma of a dc oxygen discharge

    Microsoft Academic Search

    E. A. Bogdanov; A. A. Kudryavtsev; L. D. Tsendin; R. R. Arslanbekov; V. I. Kolobov; V. V. Kudryavtsev

    2003-01-01

    Results from kinetic and fluid simulations of the positive column plasma of a dc oxygen discharge are compared using commercial\\u000a CFDRC software (http:\\/\\/www.cfdrc.com\\/?cfdplasma), which enables one to perform numerical simulations in an arbitrary 3D geometry with the use of both the fluid equations\\u000a for all the components (fluid model) and the kinetic equation for the electron energy distribution function (kinetic

  4. The composition of coal mineral components based on the results of low-temperature oxidation of organic material in the high-frequency oxygen plasma and the lithochemical calculations

    SciTech Connect

    Kizil`shtein, L.Ya.; Shpitsgluz, A.L.; Peretyat`ko, A.G. [Rostov-on-Don State Univ. (Russian Federation)

    1995-01-01

    The composition of coal mineral components is determined by the preliminary oxidation of organic material in low-temperature high-frequency oxygen plasma with the subsequent application of X-ray structural analysis. The mineral content is quantitatively evaluated by lithochemical calculations. Based on the results of the geological exploration works, the data on the composition of the coal mineral components allow us to predict the directions of the integrated utilization of coal mining and beneficiation wastes, as well as ashes and slags formed as a result of the coal combustion.

  5. Oxygen analyzer

    DOEpatents

    Benner, William H. (Danville, CA)

    1986-01-01

    An oxygen analyzer which identifies and classifies microgram quantities of oxygen in ambient particulate matter and for quantitating organic oxygen in solvent extracts of ambient particulate matter. A sample is pyrolyzed in oxygen-free nitrogen gas (N.sub.2), and the resulting oxygen quantitatively converted to carbon monoxide (CO) by contact with hot granular carbon (C). Two analysis modes are made possible: (1) rapid determination of total pyrolyzable oxygen obtained by decomposing the sample at 1135.degree. C., or (2) temperature-programmed oxygen thermal analysis obtained by heating the sample from room temperature to 1135.degree. C. as a function of time. The analyzer basically comprises a pyrolysis tube containing a bed of granular carbon under N.sub.2, ovens used to heat the carbon and/or decompose the sample, and a non-dispersive infrared CO detector coupled to a mini-computer to quantitate oxygen in the decomposition products and control oven heating.

  6. GASP: A computer code for calculating the thermodynamic and transport properties for ten fluids: Parahydrogen, helium, neon, methane, nitrogen, carbon monoxide, oxygen, fluorine, argon, and carbon dioxide. [enthalpy, entropy, thermal conductivity, and specific heat

    NASA Technical Reports Server (NTRS)

    Hendricks, R. C.; Baron, A. K.; Peller, I. C.

    1975-01-01

    A FORTRAN IV subprogram called GASP is discussed which calculates the thermodynamic and transport properties for 10 pure fluids: parahydrogen, helium, neon, methane, nitrogen, carbon monoxide, oxygen, fluorine, argon, and carbon dioxide. The pressure range is generally from 0.1 to 400 atmospheres (to 100 atm for helium and to 1000 atm for hydrogen). The temperature ranges are from the triple point to 300 K for neon; to 500 K for carbon monoxide, oxygen, and fluorine; to 600 K for methane and nitrogen; to 1000 K for argon and carbon dioxide; to 2000 K for hydrogen; and from 6 to 500 K for helium. GASP accepts any two of pressure, temperature and density as input conditions along with pressure, and either entropy or enthalpy. The properties available in any combination as output include temperature, density, pressure, entropy, enthalpy, specific heats, sonic velocity, viscosity, thermal conductivity, and surface tension. The subprogram design is modular so that the user can choose only those subroutines necessary to the calculations.

  7. Oxygen analyzer

    DOEpatents

    Benner, W.H.

    1984-05-08

    An oxygen analyzer which identifies and classifies microgram quantities of oxygen in ambient particulate matter and for quantitating organic oxygen in solvent extracts of ambient particulate matter. A sample is pyrolyzed in oxygen-free nitrogen gas (N/sub 2/), and the resulting oxygen quantitatively converted to carbon monoxide (CO) by contact with hot granular carbon (C). Two analysis modes are made possible: (1) rapid determination of total pyrolyzable obtained by decomposing the sample at 1135/sup 0/C, or (2) temperature-programmed oxygen thermal analysis obtained by heating the sample from room temperature to 1135/sup 0/C as a function of time. The analyzer basically comprises a pyrolysis tube containing a bed of granular carbon under N/sub 2/, ovens used to heat the carbon and/or decompose the sample, and a non-dispersive infrared CO detector coupled to a mini-computer to quantitate oxygen in the decomposition products and control oven heating.

  8. calculators hp calculators

    E-print Network

    Vetter, Frederick J.

    calculators hp calculators HP 50g Calculations involving plots Plotting on the HP 50g The 2D/3D;hp calculators HP 50g Calculations involving plots hp calculators - 2 - HP 50g Calculations involving plots Plotting on the HP 50g The HP 50g calculator provides a host of plots to allow the user

  9. Triple oxygen isotope composition of photosynthetic oxygen

    NASA Astrophysics Data System (ADS)

    van der Meer, Anne; Kaiser, Jan

    2013-04-01

    The measurement of biological production rates is essential for our understanding how marine ecosystems are sustained and how much CO2 is taken up through aquatic photosynthesis. Traditional techniques to measure marine production are laborious and subject to systematic errors. A biogeochemical approach based on triple oxygen isotope measurements in dissolved oxygen (O2) has been developed over the last few years, which allows the derivation of gross productivity integrated over the depth of the mixed layer and the time-scale of O2 gas exchange (Luz and Barkan, 2000). This approach exploits the relative 17O/16O and 18O/16O isotope ratio differences of dissolved O2 compared to atmospheric O2 to work out the rate of biological production. Two parameters are key for this calculation: the isotopic composition of dissolved O2 in equilibrium with air and the isotopic composition of photosynthetic oxygen. Recently, a controversy has emerged in the literature over these parameters (Kaiser, 2011) and one of the goals of this research is to provide additional data to resolve this controversy. In order to obtain more information on the isotopic signature of biological oxygen, laboratory experiments have been conducted to determine the isotopic composition of oxygen produced by different phytoplankton cultures.

  10. Summary of Simplified Two Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydrogen/Oxygen

    NASA Technical Reports Server (NTRS)

    Marek, C. John; Molnar, Melissa

    2005-01-01

    A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (greater than l x 10(exp -20)) moles per cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T(sub 4)). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/Air fuel and for H2/O2. A similar correlation is also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T(sub 4)) as a function of overall fuel/air ratio, pressure and initial temperature (T(sub 3)). High values of the regression coefficient R squared are obtained.

  11. Simplified Two-Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydorgen/Oxygen

    NASA Technical Reports Server (NTRS)

    Molnar, Melissa; Marek, C. John

    2005-01-01

    A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two-time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (> 1 x 10(exp -20) moles/cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T4). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/air fuel and for the H2/O2. A similar correlation is also developed using data from NASA s Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T4) as a function of overall fuel/air ratio, pressure and initial temperature (T3). High values of the regression coefficient R2 are obtained.

  12. calculators hp calculators

    E-print Network

    Vetter, Frederick J.

    calculators hp calculators HP 50g Working with Parametric Plots Plotting on the HP 50g Parametric calculators HP 50g Working with Parametric Plots hp calculators - 2 - HP 50g Working with Parametric Plots Plotting on the HP 50g The HP 50g calculator provides a host of plots to allow the user to visualize data

  13. calculators hp calculators

    E-print Network

    Vetter, Frederick J.

    calculators hp calculators HP 50g The basics of plotting functions Plotting on the HP 50g The 2D/3D (PLOT SETUP) Form The WIN Form Examples of plotting functions #12;hp calculators HP 50g The basics of plotting functions hp calculators - 2 - HP 50g The basics of plotting functions Plotting on the HP 50g

  14. Oxygen and iron production by electrolytic smelting of lunar soil

    NASA Technical Reports Server (NTRS)

    Haskin, Larry A.

    1989-01-01

    Previous work has shown that Fe(sup 0) and O2 can be derived by electrolysis from silicate smelt of a composition typical of lunar soils (Lindstrom and Haskin 1979). In the present study, the goal is to refine further the conditions necessary to optimize production and to determine efficiencies of production (how much product is derived for a given current) and purity of products. These depend on several factors, including potential imposed between electrodes, configuration and surface area of the electrodes, composition of the electrolyzed silicate melt, and oxygen fugacity. Experiments were designed to measure the dependence on these variables of three parameters that must be known before production by electrolysis can be optimized. These parameters are: Limiting Current; Actual Current; and Efficiencies of Production.

  15. Percentage of Oxygen in the Air

    NSDL National Science Digital Library

    Eric Muller

    2000-01-01

    In this activity, learners calculate the percentage of oxygen in the atmosphere by using steel wool's ability to rust. Learners measure the volume of a test tube with a small amount of steel wool at the bottom before and after 2 days of rusting. They use this data to calculate the percent of oxygen in the air and average class data.

  16. Phase relations of a simulated lunar basalt as a function of oxygen fugacity, and their bearing on the petrogenesis of the Apollo 11 basalts

    USGS Publications Warehouse

    Tuthill, R.L.; Sato, M.

    1970-01-01

    A glass of Apollo 11 basalt composition crystallizing at 1 atm at low f{hook}02 showed the following crystallization sequence; ferropseudobrookite at 1210??C, olivine at 1200??C, ilmenite and plagioclase at 1140??C, clinopyroxene at 1113??C. Ferropseudobrookite and olivine have a reaction relation to the melt. This sequence agrees with that assumed on textural grounds for some Apollo 11 basalts. It also indicates that the Apollo 11 basalts cannot have been modified by low-pressure fractionation. ?? 1970.

  17. Oxygen Fugacity of the Upper Mantle of Mars. Evidence from the Partitioning Behavior of Vanadium in Y980459 (Y98) and other Olivine-Phyric Shergottites

    NASA Technical Reports Server (NTRS)

    Shearer, C. K.; McKay, G. A.; Papike, J. J.; Karner, J.

    2006-01-01

    Using partitioning behavior of V between olivine and basaltic liquid precisely calibrated for martian basalts, we determined the redox state of primitive (olivine-rich, high Mg#) martian basalts near their liquidus. The combination of oxidation state and incompatible element characteristics determined from early olivine indicates that correlations between fO2 and other geochemical characteristics observed in many martian basalts is also a fundamental characteristic of these primitive magmas. However, our data does not exhibit the range of fO2 observed in these previous studies.. We conclude that the fO2 for the martian upper mantle is approximately IW+1 and is incompatible-element depleted. It seems most likely (although clearly open to interpretation) that these mantle-derived magmas assimilated a more oxidizing (>IW+3), incompatible-element enriched, lower crustal component as they ponded at the base of the martian crust.

  18. Generalized approximate spin projection calculations of effective exchange integrals of the CaMn4O5 cluster in the S1 and S3 states of the oxygen evolving complex of photosystem II.

    PubMed

    Isobe, H; Shoji, M; Yamanaka, S; Mino, H; Umena, Y; Kawakami, K; Kamiya, N; Shen, J-R; Yamaguchi, K

    2014-06-28

    Full geometry optimizations followed by the vibrational analysis were performed for eight spin configurations of the CaMn4O4X(H2O)3Y (X = O, OH; Y = H2O, OH) cluster in the S1 and S3 states of the oxygen evolution complex (OEC) of photosystem II (PSII). The energy gaps among these configurations obtained by vertical, adiabatic and adiabatic plus zero-point-energy (ZPE) correction procedures have been used for computation of the effective exchange integrals (J) in the spin Hamiltonian model. The J values are calculated by the (1) analytical method and the (2) generalized approximate spin projection (AP) method that eliminates the spin contamination errors of UB3LYP solutions. Using J values derived from these methods, exact diagonalization of the spin Hamiltonian matrix was carried out, yielding excitation energies and spin densities of the ground and lower-excited states of the cluster. The obtained results for the right (R)- and left (L)-opened structures in the S1 and S3 states are found to be consistent with available optical and magnetic experimental results. Implications of the computational results are discussed in relation to (a) the necessity of the exact diagonalization for computations of reliable energy levels, (b) magneto-structural correlations in the CaMn4O5 cluster of the OEC of PSII, (c) structural symmetry breaking in the S1 and S3 states, and (d) the right- and left-handed scenarios for the O-O bond formation for water oxidation. PMID:24632787

  19. Determination of oxygen self-diffusion in åkermanite, anorthite, diopside, and spinel: Implications for oxygen isotopic anomalies and the thermal histories of Ca-Al-rich inclusions

    NASA Astrophysics Data System (ADS)

    Ryerson, F. J.; McKeegan, Kevin D.

    1994-09-01

    Oxygen self-diffusion coefficients have been measured for three natural diopsidic clinopyroxenes, a natural anorthite, a synthetic magnesium aluminate spinel, and a synthetic åkermanite for oxygen fugacities ranging from the NNO to IW buffers. The experiments employed a gas-solid isotopic exchange technique utilizing 99% 18O-enriched CO-CO2 gas mixtures to control both the oxygen fugacity and the isotopic composition of the exchange reservoir. Diffusion profiles of the 18O tracer were obtained by in-depth analysis with an ion microprobe. The experimental results, fit to the Arrhenius relation D = D0e(-Q/RT), yield the following: Do (m2 s-1)Q (kJ mol-1)diopside4.3limit- 3.8+32.6× 10 - 4457 ± 26åkermanite4.7limit- 4.4+83.5× 10 - 7457 ± 26278 ± 33spinel2.2limit- 1.8+8.7× 10 - 7404 ± 21anorthite8.4limit- 8.0+174× 10 - 13162 ± 36 At a given temperature, oxygen diffuses about 100 times more slowly in diopside than indicated by previous bulk-exchange experiments (CONNOLLY and MUEHLENBACHS, 1988). Our data for anorthite, spinel, and åkermanite agree well with prior results obtained by gas-solid exchange and depth profiling methods (ELPHICK et al., 1988; REDDY and COOPER, 1981; YURIMOTO et al., 1989, respectively). Since these other experiments were conducted at different oxygen fugacities, this agreement indicates that diffusion of oxygen in these nominally Fe-free minerals is not greatly affected by fO2 in the range between pure oxygen and the iron-wüstite buffer. However, our diffusion coefficients for anorthite, melilite, and spinel are also uniformly lower than those obtained by bulk analysis of crushed powders at similar temperatures (MUEHLENBACHS and KUSHIRO, 1974; HAYASHI and MUEHLENBACHS, 1986; ANDO and OISHI, 1974). The oxygen diffusion data are used to evaluate the effects of three different types of thermal histories upon the oxygen isotopic compositions of minerals found in Type B Ca-Al-rich inclusions (CAIBs) in carbonaceous chondrites: (1) gas-solid exchange during isothermal heating, (2) gas-solid exchange as a function of cooling rate subsequent to instantaneous heating, and (3) isotopic exchange with a gaseous reservoir during partial melting and recrystallization. With the assumptions that the mineral compositions within a CAIB were uniformly enriched in 16O prior to any thermal processing, that effective diffusion dimensions may be estimated from observed grain sizes, and that diffusion in diopside is similar to that in fassaitic clinopyroxene, none of the above scenarios can reproduce the relative oxygen isotopic anomalies observed in CAIBs without improbably long or unrealistically intense thermal histories relative to current theoretical models of nebular evolution. The failure of these simple models, coupled with recent observations of "disturbed" magnesium isotopic abundances and correlated petrographic features in anorthite and melilite indicative of alteration and recrystallization, suggests that the oxygen isotopic compositions of these phases may have also been modified by alteration and recrystallization possibly interspersed with multiple melting events. Because the modal abundance of spinel remains relatively constant for plausible melting scenarios, and its relatively sluggish diffusion kinetics prevent substantial equilibration, Mg-Al spinel is the most reliable indicator of the oxygen isotopic composition of precursor material which formed Type B CAIs.

  20. Influence of oxygen vacancy on the electronic structure of CaCu3Ti4O12 and its deep-level vacancy trap states by first-principle calculation

    NASA Astrophysics Data System (ADS)

    Xiao, H. B.; Yang, C. P.; Huang, C.; Xu, L. F.; Shi, D. W.; Marchenkov, V. V.; Medvedeva, I. V.; Bärner, K.

    2012-03-01

    The electronic structure, formation energy, and transition energy levels of intrinsic defects have been studied using the density-functional method within the generalized gradient approximation for neutral and charged oxygen vacancy in CaCu3Ti4O12 (CCTO). It is found that oxygen vacancies with different charge states can be formed in CCTO under both oxygen-rich and poor conditions for nonequilibrium and higher-energy sintering processes; especially, a lower formation energy is obtained for poor oxygen environment. The charge transition level (0/1+) of the oxygen vacancy in CCTO is located at 0.53 eV below the conduction-band edge. The (1+/2+) transition occurs at 1.06 eV below the conduction-band edge. Oxygen vacancies of Vo1+ and Vo2+ are positive stable charge states in most gap regions and can act as a moderately deep donor for Vo1+ and a borderline deep for Vo2+, respectively. The polarization and dielectric constant are considerably enhanced by oxygen vacancy dipoles, due to the off-center Ti and Cu ions in CCTO.

  1. Formation and migration of oxygen vacancies in La(1-x)Sr(x)Co(1-y)Fe(y)O(3-?) perovskites: insight from ab initio calculations and comparison with Ba(1-x)Sr(x)Co(1-y)Fe(y)O(3-?).

    PubMed

    Mastrikov, Yuri A; Merkle, Rotraut; Kotomin, Eugene A; Kuklja, Maija M; Maier, Joachim

    2013-01-21

    The formation and migration of oxygen vacancies in the series of (La,Sr)(Co,Fe)O(3-?) perovskites, which can be used as mixed conducting SOFC cathode materials and oxygen permeation membranes, are explored in detail by means of first principles density functional calculations. Structure distortions, charge redistributions and transition state energies during the oxygen ion migration are obtained and analyzed. Both the overall chemical composition and vacancy formation energy are found to have only a small impact on the migration barrier; it is rather the local cation configuration which affects the barrier. The electron charge transfer from the migrating O ion towards the transition metal ion in the transition state is much smaller in (La,Sr)(Co,Fe)O(3-?) compared to (Ba,Sr)(Co,Fe)O(3-?) perovskites where such a charge transfer makes a significant contribution to the low migration barriers observed (in particular for high Ba and Co content). PMID:23202751

  2. Living with Oxygen Therapy

    MedlinePLUS

    ... page from the NHLBI on Twitter. Living With Oxygen Therapy Oxygen therapy helps many people function better and be ... chronic obstructive pulmonary disease) Although you may need oxygen therapy continuously or for long periods, it doesn' ...

  3. Oxygen isotopes implanted in the LDEF spacecraft

    NASA Technical Reports Server (NTRS)

    Saxton, J. M.; Lyon, I. C.; Chatzitheodoridis, E.; Vanlierde, P.; Gilmour, J. D.; Turner, G.

    1993-01-01

    Secondary ion mass spectrometry was used to study oxygen implanted in the surface of copper from the Long Duration Exposure Facility (LDEF). Oxidation that occurred in orbit shows a characteristic oxygen isotope composition, depleted in O-18. The measured depletion is comparable to the predicted depletion (45 percent) based on a model of the gravitational separation of the oxygen isotopes. The anomalous oxygen was contained within 10nm of the surface. Tray E10 was calculated to have received 5.14 x 10(exp 21) atoms of oxygen cm(sup -2) during the LDEF mission and so there is sufficient anomalous implanted oxygen present in the surface to obtain a reliable isotopic profile.

  4. Determination of oxygen self-diffusion in akermanite, anorthite, diopside, and spinel: Implications for oxygen isotopic anomalies and the thermal histories of Ca-Al-rich inclusions

    SciTech Connect

    Ryerson, F.J. (Lawrence Livermore National Lab., CA (United States)); McKeegan, K.D. (Univ. of California, Los Angeles, CA (United States))

    1994-09-01

    Oxygen self-diffusion coefficients have been measured for three natural diopsidic clinopyroxenes, a natural anorthite, a synthetic magnesium aluminate spinel, and a synthetic akermanite for oxygen fugacities ranging from the NNO to IW buffers. The oxygen diffusion data are used to evaluate the effects of three different types of thermal histories upon the oxygen isotopic compositions of minerals found in Type B Ca-Al-rich inclusions (CAIBs) in carbonaceous chondrites: (1) gas-solid exchange during isothermal heating, (2) gas-solid exchange as a function of cooling rate subsequent to instantaneous heating, and (3) isotopic exchange with a gaseous reservoir during partial melting and recrystallization. With the assumptions that the mineral compositions within a CAIB were uniformly enriched in [sup 16]O prior to any thermal processing, that effective diffusion dimensions may be estimated from observed grain sizes, and that diffusion in diopside is similar to that in fassaitic clinopyroxene, none of the above scenarios can reproduce the relative oxygen isotopic anomalies observed in CAIBs without improbably long or unrealistically intense thermal histories relative to current theoretical models of nebular evolution. The failure of these simple models, coupled with recent observations of disturbed magnesium isotopic abundances and correlated petrographic features in anorthite and melilite indicative of alteration and recrystallization, suggests that the oxygen isotopic compositions of these phases may have also been modified by alteration and recrystallization possibly interspersed with multiple melting events. Because the modal abundance of spinel remains relatively constant for plausible melting scenarios, and its relatively sluggish diffusion kinetics prevent substantial equilibration, Mg-Al spinel is the most reliable indicator of the oxygen isotopic composition of precursor material which formed Type B CAIs.

  5. Hyperbaric oxygen therapy

    MedlinePLUS

    Hyperbaric oxygen therapy uses a special pressure chamber to increase the amount of oxygen in the blood. ... Carnay AY. Hyperbaric oxygen therapy, an introduction. Crit Care Nurs Q . 2013;36:274-279. Rabinowitz RP, Caplan ES. Hyperbaric oxygen. In: Mandell ...

  6. Oxygen sensing and signaling.

    PubMed

    van Dongen, Joost T; Licausi, Francesco

    2015-01-01

    Oxygen is an indispensable substrate for many biochemical reactions in plants, including energy metabolism (respiration). Despite its importance, plants lack an active transport mechanism to distribute oxygen to all cells. Therefore, steep oxygen gradients occur within most plant tissues, which can be exacerbated by environmental perturbations that further reduce oxygen availability. Plants possess various responses to cope with spatial and temporal variations in oxygen availability, many of which involve metabolic adaptations to deal with energy crises induced by low oxygen. Responses are induced gradually when oxygen concentrations decrease and are rapidly reversed upon reoxygenation. A direct effect of the oxygen level can be observed in the stability, and thus activity, of various transcription factors that control the expression of hypoxia-induced genes. Additional signaling pathways are activated by the impact of oxygen deficiency on mitochondrial and chloroplast functioning. Here, we describe the molecular components of the oxygen-sensing pathway. PMID:25580837

  7. Oxygen chemisorption cryogenic refrigerator

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (inventor)

    1987-01-01

    The present invention relates to a chemisorption compressor cryogenic refrigerator which employs oxygen to provide cooling at 60 to 100 K. The invention includes dual vessels containing an oxygen absorbent material, alternately heated and cooled to provide a continuous flow of high pressure oxygen, multiple heat exchangers for precooling the oxygen, a Joule-Thomson expansion valve system for expanding the oxygen to partially liquefy it and a liquid oxygen pressure vessel. The primary novelty is that, while it was believed that once oxygen combined with an element or compound the reaction could not reverse to release gaseous oxygen, in this case oxygen will indeed react in a reversible fashion with certain materials and will do so at temperatures and pressures which make it practical for incorporation into a cryogenic refrigeration system.

  8. Solid state oxygen sensor

    DOEpatents

    Garzon, Fernando H. (Sante Fe, NM); Chung, Brandon W. (Los Alamos, NM); Raistrick, Ian D. (Los Alamos, NM); Brosha, Eric L. (Los Alamos, NM)

    1996-01-01

    Solid state oxygen sensors are provided with a yttria-doped zirconia as an electrolyte and use the electrochemical oxygen pumping of the zirconia electrolyte. A linear relationship between oxygen concentration and the voltage arising at a current plateau occurs when oxygen accessing the electrolyte is limited by a diffusion barrier. A diffusion barrier is formed herein with a mixed electronic and oxygen ion-conducting membrane of lanthanum-containing perovskite or zirconia-containing fluorite. A heater may be used to maintain an adequate oxygen diffusion coefficient in the mixed conducting layer.

  9. Atomic transport of oxygen

    SciTech Connect

    Routbort, J.L.; Tomlins, G.W.

    1994-06-15

    Atomic transport of oxygen in nonstoichiometric oxides is an extremely important topic which overlaps science and technology. In many cases the diffusion of oxygen controls sintering, grain growth, and creep. High oxygen diffusivity is critical for efficient operation of many fuel cells. Additionally, oxygen diffusivities are an essential ingredient in any point defect model. Secondary Ion Mass Spectrometry (SIMS) is the most accurate modern technique to measure oxygen tracer diffusion. This paper briefly reviews the principles and applications of SIMS for the measurement of oxygen transport. Case studies are taken from recent work on ZnO and some high-temperature superconductors.

  10. Assessment of Industry-Induced Urban Human Health Risks Related to Benzo[a]pyrene based on a Multimedia Fugacity Model: Case Study of Nanjing, China

    PubMed Central

    Xu, Linyu; Song, Huimin; Wang, Yan; Yin, Hao

    2015-01-01

    Large amounts of organic pollutants emitted from industries have accumulated and caused serious human health risks, especially in urban areas with rapid industrialization. This paper focused on the carcinogen benzo[a]pyrene (BaP) from industrial effluent and gaseous emissions, and established a multi-pathway exposure model based on a Level IV multimedia fugacity model to analyze the human health risks in a city that has undergone rapid industrialization. In this study, GIS tools combined with land-use data was introduced to analyze smaller spatial scales so as to enhance the spatial resolution of the results. An uncertainty analysis using a Monte Carlo simulation was also conducted to illustrate the rationale of the probabilistic assessment mode rather than deterministic assessment. Finally, the results of the case study in Nanjing, China indicated the annual average human cancer risk induced by local industrial emissions during 2002–2008 (lowest at 1.99×10–6 in 2008 and highest at 3.34×10–6 in 2004), which was lower than the USEPA prescriptive level (1×10–6–1×10–4) but cannot be neglected in the long term.The study results could not only instruct the BaP health risk management but also help future health risk prediction and control. PMID:26035663

  11. Assessment of Industry-Induced Urban Human Health Risks Related to Benzo[a]pyrenebased on a Multimedia Fugacity Model: Case Study of Nanjing, China.

    PubMed

    Xu, Linyu; Song, Huimin; Wang, Yan; Yin, Hao

    2015-01-01

    Large amounts of organic pollutants emitted from industries have accumulated and caused serious human health risks, especially in urban areas with rapid industrialization. This paper focused on the carcinogen benzo[a]pyrene (BaP) from industrial effluent and gaseous emissions, and established a multi-pathway exposure model based on a Level IV multimedia fugacity model to analyze the human health risks in a city that has undergone rapid industrialization. In this study, GIS tools combined with land-use data was introduced to analyze smaller spatial scales so as to enhance the spatial resolution of the results. An uncertainty analysis using a Monte Carlo simulation was also conducted to illustrate the rationale of the probabilistic assessment mode rather than deterministic assessment. Finally, the results of the case study in Nanjing, China indicated the annual average human cancer risk induced by local industrial emissions during 2002-2008 (lowest at 1.99´10-6 in 2008 and highest at 3.34´10-6 in 2004), which was lower than the USEPA prescriptive level (1´10-6-1´10-4) but cannot be neglected in the long term. The study results could not only instruct the BaP health risk management but also help future health risk prediction and control. PMID:26035663

  12. Living Without Oxygen: Oxygen Tolerance in Bacteria

    NSDL National Science Digital Library

    Sharon Harris

    This activity focuses on chemical processes, such as nitrogen fixation and denitrification, which are carried out by bacteria. Often the efficacy of these processes is determined by the amount of oxygen present in the environment in which the bacteria live. Much of the time, these processes are carried out by facultatively anaerobic bacteria in the suboxic region of lakes, oceans, sediments, and leaf litter. Students will discover whether facultatively anaerobic photoautotrophs share the same tolerance for oxygen, how differences in oxygen tolerance can be tested, and of what significance the tolerance for oxygen is in the nitrogen cycle. They will practice aseptic technique, monitor the growth of bacterial cultures, display their results graphically, and propose environmental problems associated with the oxygen tolerance of nitrogen fixers and denitifiers.

  13. Atomic oxygen exposure of LDEF experiment trays

    NASA Technical Reports Server (NTRS)

    Bourassa, R. J.; Gillis, J. R.

    1992-01-01

    Atomic oxygen exposures were determined analytically for rows, longerons, and end bays of the Long Duration Exposure Facility (LDEF). The calculations are based on an analytical model that accounts for the effects of thermal molecular velocity, atmospheric temperature, number density, spacecraft velocity, incidence angle, and atmospheric rotation on atomic oxygen flux. Results incorporate variations in solar activity, geomagnetic index, and orbital parameters occurring over the 6-year flight of the spacecraft. To facilitate use of the data, both detailed tabulations and summary charts for atomic oxygen fluences are presented.

  14. Automatic Electronic Oxygen Supply

    PubMed Central

    Ford, Patricia; Hoodless, D. J.

    1971-01-01

    An automatic electronic oxygen system has been devised to supply an intensive care unit with a “fail-safe” supply of continuous oxygen. All parts of the system are fitted with alarms, as the oxygen powers gas-driven ventilators. Since the system is cheap it can be installed in hospitals where finance is limited. PMID:5278618

  15. Oxygen boost pump study

    NASA Technical Reports Server (NTRS)

    1975-01-01

    An oxygen boost pump is described which can be used to charge the high pressure oxygen tank in the extravehicular activity equipment from spacecraft supply. The only interface with the spacecraft is the +06 6.205 Pa supply line. The breadboard study results and oxygen tank survey are summarized and the results of the flight-type prototype design and analysis are presented.

  16. Oxygen pressure measurement using singlet oxygen emission

    SciTech Connect

    Khalil, Gamal E.; Chang, Alvin; Gouterman, Martin; Callis, James B.; Dalton, Larry R.; Turro, Nicholas J.; Jockusch, Steffen [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States); Department of Chemistry, Columbia University, New York, New York 10027 (United States)

    2005-05-15

    Pressure sensitive paint (PSP) provides a visualization of two-dimensional pressure distributions on airfoil and model automobile surfaces. One type of PSP utilizes platinum tetra(pentafluorophenyl)porphine (PtTFPP) dissolved in a fluoro-polymer film. Since the intense 650 nm triplet emission of PtTFPP is quenched by ground state oxygen, it is possible to measure two-dimensional oxygen concentration from the 650 nm emission intensity using a Stern-Volmer-type relationship. This article reports an alternative luminescence method to measure oxygen concentration based on the porphyrin-sensitized 1270 nm singlet oxygen emission, which can be imaged with an InGaAs near infrared camera. This direct measurement of oxygen emission complements and further validates the oxygen measurement based on PtTFPP phosphorescence quenching. Initial success at obtaining a negative correlation between the 650 nm PtTFPP emission and the 1270 nm O{sub 2} emission in solution led us to additional two-dimensional film studies using surfaces coated with PtTFPP, MgTFPP, and H{sub 2}TFPP in polymers in a pressure and temperature controlled chamber.

  17. Oxygen measurements via phosphorescence.

    PubMed

    Shaban, Sami; Marzouqi, Farida; Al Mansouri, Aysha; Penefsky, Harvey S; Souid, Abdul-Kader

    2010-12-01

    Accurate measurements of dissolved O(2) as a function of time have numerous chemical and biological applications. The Pd (II) complex of meso-tetra-(4-sulfonatophenyl)-tetrabenzoporphyrin (Pd phosphor) was used for this purpose. Detection is based on the principle that the phosphorescence of this oxygen probe is inversely related to dissolved O(2) (O(2) quenches the phosphorescence). Biologic samples containing the Pd phosphor were flashed (10/s) with a peak output of 625nm; emitted light was detected at 800nm. Amplified pulses of phosphorescence were digitized at 1-2MHz using an analog/digital converter (PCI-DAS 4020/12 I/O Board) with outputs ranging from 1 to 20MHz. Assessment revealed a customized program was necessary. Pulses were captured using a developed software at 0.1-4MHz, depending on the speed of the computer. O(2) concentration was calculated by fitting to an exponential the decay of the phosphorescence. Twelve tasks were identified, which allowed full control and customization of the data acquisition, storage and analysis. The program used Microsoft Visual Basic 6 (VB6), Microsoft Access Database 2007, and a Universal Library component that allowed direct reading from the PCI-DAS 4020/12 I/O Board. It involved a relational database design to store experiments, pulses and pulse metadata, including phosphorescence decay rates. The method permitted reliable measurements of cellular O(2) consumption over several hours. PMID:20478639

  18. Calculator Cookery.

    ERIC Educational Resources Information Center

    Humphreys, Casey; And Others

    This valuable collection of materials was developed to incorporate the calculator as an instructional aid in ninth- and tenth-grade general and basic mathematics classes. The materials are also appropriate for grades 7 and 8. After an introductory section which teaches the use of the calculator, four games and activities are described. For these…

  19. Phasor Calculator

    NSDL National Science Digital Library

    Reeder, Nick

    Nick Reeder from Sinclair Community College created this interactive tool to compute with phasors when you're analyzing AC circuits. The phasor calculator allows you to add, subtract, multiply, or divide phasors. Use E to enter numbers in exponential form, such as 50E3 for 50 kilo. Press the = button to calculate result. Use the 1/x buttons to invert either operand.

  20. BTU Calculator

    NSDL National Science Digital Library

    A calculator that estimates the heating needs of a room, a combination of rooms, or an entire home. Enter the length and width of the area to be heated and select the climate and insulation factors from the pop-up boxes. A Java version of this calculator is also available.

  1. The self-referencing oxygen-selective microelectrode: detection of transmembrane oxygen flux from single cells.

    PubMed

    Land, S C; Porterfield, D M; Sanger, R H; Smith, P J

    1999-01-01

    A self-referencing, polarographic, oxygen-selective microelectrode was developed for measuring oxygen fluxes from single cells. This technique is based on the translational movement of the microelectrode at a known frequency through an oxygen gradient, between known points. The differential current of the electrode was converted into a directional measurement of flux using the Fick equation. Operational characteristics of the technique were determined using artificial gradients. Calculated oxygen flux values matched theoretical values derived from static measurements. A test preparation, an isolated neuron, yielded an oxygen flux of 11.46+/-1.43 pmol cm-2 s-1 (mean +/- s.e.m.), a value in agreement with those available in the literature for single cells. Microinjection of metabolic substrates or a metabolic uncoupler increased oxygen flux, whereas microinjection of KCN decreased oxygen flux. In the filamentous alga Spirogyra greveilina, the probe could easily differentiate a 16.6% difference in oxygen flux with respect to the position of the spiral chloroplast (13.3+/-0.4 pmol cm-2 s-1 at the chloroplast and 11.4+/-0.4 pmol cm-2 s-1 between chloroplasts), despite the fact that these positions averaged only 10.6+/-1.8 microm apart (means +/- s.e.m.). A light response experiment showed real-time changes in measured oxygen flux correlated with changes in lighting. Taken together, these results show that the self-referencing oxygen microelectrode technique can be used to detect local oxygen fluxes with a high level of sensitivity and spatial resolution in real time. The oxygen fluxes detected reliably correlated with the metabolic state of the cell. PMID:9851909

  2. Oxygen ion conducting materials

    DOEpatents

    Carter, J. David; Wang, Xiaoping; Vaughey, John; Krumpelt, Michael

    2004-11-23

    An oxygen ion conducting ceramic oxide that has applications in industry including fuel cells, oxygen pumps, oxygen sensors, and separation membranes. The material is based on the idea that substituting a dopant into the host perovskite lattice of (La,Sr)MnO.sub.3 that prefers a coordination number lower than 6 will induce oxygen ion vacancies to form in the lattice. Because the oxygen ion conductivity of (La,Sr)MnO.sub.3 is low over a very large temperature range, the material exhibits a high overpotential when used. The inclusion of oxygen vacancies into the lattice by doping the material has been found to maintain the desirable properties of (La,Sr)MnO.sub.3, while significantly decreasing the experimentally observed overpotential.

  3. Domiciliary oxygen for children.

    PubMed

    Balfour-Lynn, Ian M

    2009-02-01

    Domiciliary oxygen is used increasingly in pediatric practice, and the largest patient group to receive it is ex-premature babies with chronic neonatal lung disease. Because of a scarcity of good evidence to inform clinicians, there is a lack of consensus over many issues, even those as fundamental as the optimum target oxygen saturation. Nevertheless, many children benefit from receiving supplemental oxygen at home, particularly because it helps to keep them out of the hospital. PMID:19135592

  4. Rockets using Liquid Oxygen

    NASA Technical Reports Server (NTRS)

    Busemann, Adolf

    1947-01-01

    It is my task to discuss rocket propulsion using liquid oxygen and my treatment must be highly condensed for the ideas and experiments pertaining to this classic type of rocket are so numerous that one could occupy a whole morning with a detailed presentation. First, with regard to oxygen itself as compared with competing oxygen carriers, it is known that the liquid state of oxygen, in spite of the low boiling point, is more advantageous than the gaseous form of oxygen in pressure tanks, therefore only liquid oxygen need be compared with the oxygen carriers. The advantages of liquid oxygen are absolute purity and unlimited availability at relatively small cost in energy. The disadvantages are those arising from the impossibility of absolute isolation from heat; consequently, allowance must always be made for a certain degree of vaporization and only vented vessels can be used for storage and transportation. This necessity alone eliminates many fields of application, for example, at the front lines. In addition, liquid oxygen has a lower specific weight than other oxygen carriers, therefore many accessories become relatively larger and heavier in the case of an oxygen rocket, for example, the supply tanks and the pumps. The advantages thus become effective only in those cases where definitely scheduled operation and a large ground organization are possible and when the flight requires a great concentration of energy relative to weight. With the aim of brevity, a diagram of an oxygen rocket will be presented and the problem of various component parts that receive particularly thorough investigation in this classic case but which are also often applicable to other rocket types will be referred to.

  5. Oxygen therapy for COPD

    PubMed Central

    2014-01-01

    Chronic obstructive pulmonary disease (COPD) is a leading cause of disability and death globally, characterised by progressive breathlessness, loss of function and, in its later stages, chronic hypoxaemia. Long-term continuous oxygen therapy increases life expectancy in patients with severe resting hypoxaemia. However, there are few data to support the use of oxygen in patients with only mild hypoxaemia and more research is required to determine any benefits of oxygen supplementation in COPD in such individuals. PMID:25478203

  6. Atomic Oxygen Effects

    NASA Technical Reports Server (NTRS)

    Miller, Sharon K. R.

    2014-01-01

    Atomic oxygen, which is the most predominant species in low Earth orbit, is highly reactive and can break chemical bonds on the surface of a wide variety of materials leading to volatilization or surface oxidation which can result in failure of spacecraft materials and components. This presentation will give an overview of how atomic oxygen reacts with spacecraft materials, results of space exposure testing of a variety of materials, and examples of failures caused by atomic oxygen.

  7. Rat splanchnic net oxygen consumption, energy implications.

    PubMed Central

    Casado, J; Fernández-López, J A; Esteve, M; Rafecas, I; Argilés, J M; Alemany, M

    1990-01-01

    1. The blood flow, PO2, pH and PCO2 have been estimated in portal and suprahepatic veins as well as in hepatic artery of fed and overnight starved rats given an oral glucose load. From these data the net intestinal, hepatic and splanchnic balances for oxygen and bicarbonate were calculated. The oxygen consumption of the intact animal has also been measured under comparable conditions. 2. The direct utilization of oxygen balances as energy equivalents when establishing the contribution of energy metabolism of liver and intestine to the overall energy expenses of the rat, has been found to be incorrect, since it incorporates the intrinsic error of interorgan proton transfer through bicarbonate. Liver and intestine produced high net bicarbonate balances in all situations tested, implying the elimination (by means of oxidative pathways, i.e. consuming additional oxygen) of high amounts of H+ generated with bicarbonate. The equivalence in energy output of the oxygen balances was then corrected for bicarbonate production to 11-54% lower values. 3. Intestine and liver consume a high proportion of available oxygen, about one-half in basal (fed or starved) conditions and about one-third after gavage, the intestine consumption being about 15% in all situations tested and the liver decreasing its oxygen consumption with gavage. PMID:2129230

  8. Oxygen Poisoning in Drosophila

    PubMed Central

    Fenn, Wallace O.; Henning, Marcia; Philpott, Mary

    1967-01-01

    Fruit flies live longer at the partial pressure of oxygen found in air than at either larger or smaller partial pressures. Flies exposed to 1 atm of oxygen for 8 hr every day do not recover completely in the remaining 16 hr. In general, intermittent exposures to 1 atm of oxygen are better tolerated than continuous exposure to the same average oxygen concentration per day, but exposures to higher pressures of 2–5 atm of oxygen for as little as a half hour every two days markedly shorten the life-span. Older flies consume more oxygen per minute and are more sensitive to oxygen poisoning than young flies, and the rate of dying in 6 atm of O2, or the reciprocal of the survival time, is a linear function of the age. The oxygen pressure-time curve can be well expressed by the general empirical equation (POO2)2 x time = 120 where P is in atmosphere and survival time in hours. The progress of oxygen poisoning appears to be linear with time rather than exponential. PMID:6034764

  9. Silicon in Mars' Core: A Prediction Based on Mars Model Using Nitrogen and Oxygen Isotopes in SNC Meteorites

    NASA Technical Reports Server (NTRS)

    Mohapatra, R. K.; Murty, S. V. S.

    2002-01-01

    Chemical and (oxygen) isotopic compositions of SNC meteorites have been used by a number of workers to infer the nature of precursor materials for the accretion of Mars. The idea that chondritic materials played a key role in the formation of Mars has been the central assumption in these works. Wanke and Dreibus have proposed a mixture of two types of chondritic materials, differing in oxygen fugacity but having CI type bulk chemical composition for the nonvolatile elements, for Mars' precursor. But a number of studies based on high pressure and temperature melting experiments do not favor a CI type bulk planet composition for Mars, as it predicts a bulk planet Fe/Si ratio much higher than that reported from the recent Pathfinder data. Oxygen forms the bulk of Mars (approximately 40% by wt.) and might provide clues to the type of materials that formed Mars. But models based on the oxygen isotopic compositions of SNC meteorites predict three different mixtures of precursor materials for Mars: 90% H + 10% CM, 85% H + 11% CV + 4% CI and 45% EH + 55% H. As each of these models has been shown to be consistent with the bulk geophysical properties (such as mean density, and moment of inertia factor) of Mars, the nature of the material that accreted to form Mars remains ambiguous.

  10. MEMS Calculator

    National Institute of Standards and Technology Data Gateway

    SRD 166 MEMS Calculator (Web, free access)   This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.

  11. Quantum Origin of the Oxygen Storage Capability of Ceria

    Microsoft Academic Search

    N. V. Skorodumova; S. I. Simak; B. I. Lundqvist; I. A. Abrikosov; B. Johansson

    2002-01-01

    The microscopic mechanism behind the extraordinary ability of ceria to store, release, and transport oxygen is explained on the basis of first-principles quantum mechanical simulations. The oxygen-vacancy formation energy in ceria is calculated for different local environments. The reversible CeO2-Ce2O3 reduction transition associated with oxygen-vacancy formation and migration is shown to be directly coupled with the quantum process of electron

  12. Oscillator strengths for singly ionized oxygen

    Microsoft Academic Search

    ?. Ate?; G. Tekeli; G. Çelik; E. Akin; M. Taser

    2009-01-01

    The electric dipole oscillator strengths for multiplet and \\u000a individual lines between some doublet and quartet levels have been \\u000a calculated using the weakest bound electron potential model theory (WBEPMT) \\u000a in singly ionized oxygen. We employed both numerical Coulomb approximation \\u000a (NCA) wave functions and numerical non-relativistic Hartree-Fock (NRHF) wave \\u000a functions for expectation values of radii in determination of parameters. \\u000a The calculated oscillator

  13. Oxygen solubilities of media used in electrochemical respiration measurements

    Microsoft Academic Search

    Hans N Rasmussen; Ulla F Rasmussen

    2003-01-01

    Solubility data are presented as equations from which the oxygen concentration of arbitrary media may be calculated with an accuracy of about 1%. These equations, covering the range 5–40°C, are based on measurements with a modification of the physical method of St. Helen and Fatt (I. Fatt, Polarographic Oxygen Sensors, CRC Press, Cleveland (1976)). Solutions of the following compounds were

  14. Oxygen sensitive paper

    NASA Technical Reports Server (NTRS)

    Whidby, J. F.

    1973-01-01

    Paper is impregnated with mixture of methylene blue and ethylenediaminetetraacetic acid. Methylene blue is photo-reduced to leuco-form. Paper is kept isolated from oxygen until ready for use. Paper can be reused by photo-reduction after oxygen exposure.

  15. Influence of ortho-substitution homolog group on polychlorobiphenyl bioaccumulation factors and fugacity ratios in plankton and zebra mussels (Dreissena polymorpha)

    SciTech Connect

    Willman, E.J.; Manchester-Neesvig, J.B.; Agrell, C.; Armstrong, D.E.

    1999-07-01

    The accumulation of a set of non- and mono-ortho (coplanar) PCB congeners in aquatic ecosystems is of interest due to their dioxin-like toxicities. Chemical properties (octanol-water partition coefficients) suggest that the coplanar congeners may accumulate in organisms to a greater extent than homologs with greater ortho substitution. The authors analyzed a set of 65 PCB congeners with zero to four ortho-chlorines from seven homolog groups in water, suspended particulate matter, and zebra mussels from Green Bay, Wisconsin, USA, on four dates throughout the ice-free season. The suspended particulate matter was separated by size and characterized as phytoplankton or zooplankton using diagnostic carotenoid pigments and light microscopy. Median bioconcentration factors (BCFs) for accumulation from water by phytoplankton and bioaccumulation factors (BAFs) for accumulation from water plus food by zooplankton and zebra mussels ranged from 1 x 10{sup 4} to 1 x 10{sup 6} and were generally the greatest for the tetra- to heptachlorobiphenyls. The average coplanar congener BCFs and BAFs for accumulation from water by phytoplankton, zooplankton, and zebra mussels for the tri-, tetra-, and pentachlorobiphenyls were 54% larger than corresponding values for their homologs. Biomagnification factors (BMFs) of the tetra-, penta-, and hexachlorobiphenyls between zooplankton and zebra mussels and their food source, phytoplankton, typically ranged between 1 and 10, but the average coplanar congener BMFs were 25% less than values for their corresponding homologs. The tendency for coplanar congeners to accumulate to a lesser extent between trophic levels was not as large as their tendency to accumulate from water to a greater extent. Based on accumulation factors, the authors conclude that the dioxin-like tetra- and pentachlorobiphenyls generally accumulate in the phytoplankton, zooplankton, and zebra mussels of the Green Bay ecosystem to a greater extent than other congeners. Fugacity ratios suggest that, in phytoplankton and zooplankton, homolog concentrations were below equilibrium with water throughout the field season, particularly for the more chlorinated groups, but that concentrations in zebra mussels were at or above equilibrium with water.

  16. Atomic Oxygen Textured Polymers

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Rutledge, Sharon K.; Hunt, Jason D.; Drobotij, Erin; Cales, Michael R.; Cantrell, Gidget

    1995-01-01

    Atomic oxygen can be used to microscopically alter the surface morphology of polymeric materials in space or in ground laboratory facilities. For polymeric materials whose sole oxidation products are volatile species, directed atomic oxygen reactions produce surfaces of microscopic cones. However, isotropic atomic oxygen exposure results in polymer surfaces covered with lower aspect ratio sharp-edged craters. Isotropic atomic oxygen plasma exposure of polymers typically causes a significant decrease in water contact angle as well as altered coefficient of static friction. Such surface alterations may be of benefit for industrial and biomedical applications. The results of atomic oxygen plasma exposure of thirty-three (33) different polymers are presented, including typical morphology changes, effects on water contact angle, and coefficient of static friction.

  17. Continuous monitoring of dissolved oxygen

    Microsoft Academic Search

    Barron

    1965-01-01

    Modification of portable oxygen meters allows continuous monitoring of dissolved oxygen in waterflood systems, instead of using spot checks which permit only partial oxygen removal. This is made possible by the addition of an automatic, continuous readout instrument to the common oxygen sensor in use today. The oxygen sensor consists of an electrolytic cell made of a cathode, an anode,

  18. 42 CFR 414.226 - Oxygen and oxygen equipment.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ...equipment only (gaseous or liquid tanks). (iii) Oxygen generating...delivery of gaseous or liquid oxygen contents; or...delivery of gaseous or liquid oxygen contents after...this section. (e) Volume adjustments....

  19. Atomic Oxygen Fluence Monitor

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.

    2011-01-01

    This innovation enables a means for actively measuring atomic oxygen fluence (accumulated atoms of atomic oxygen per area) that has impinged upon spacecraft surfaces. Telemetered data from the device provides spacecraft designers, researchers, and mission managers with real-time measurement of atomic oxygen fluence, which is useful for prediction of the durability of spacecraft materials and components. The innovation is a compact fluence measuring device that allows in-space measurement and transmittance of measured atomic oxygen fluence as a function of time based on atomic oxygen erosion yields (the erosion yield of a material is the volume of material that is oxidized per incident oxygen atom) of materials that have been measured in low Earth orbit. It has a linear electrical response to atomic oxygen fluence, and is capable of measuring high atomic oxygen fluences (up to >10(exp 22) atoms/sq cm), which are representative of multi-year low-Earth orbital missions (such as the International Space Station). The durability or remaining structural lifetime of solar arrays that consist of polymer blankets on which the solar cells are attached can be predicted if one knows the atomic oxygen fluence that the solar array blanket has been exposed to. In addition, numerous organizations that launch space experiments into low-Earth orbit want to know the accumulated atomic oxygen fluence that their materials or components have been exposed to. The device is based on the erosion yield of pyrolytic graphite. It uses two 12deg inclined wedges of graphite that are over a grit-blasted fused silica window covering a photodiode. As the wedges erode, a greater area of solar illumination reaches the photodiode. A reference photodiode is also used that receives unobstructed solar illumination and is oriented in the same direction as the pyrolytic graphite covered photodiode. The short-circuit current from the photodiodes is measured and either sent to an onboard data logger, or transmitted to a receiving station on Earth. By comparison of the short-circuit currents from the fluence-measuring photodiode and the reference photodiode, one can compute the accumulated atomic oxygen fluence arriving in the direction that the fluence monitor is pointing. The device produces a signal that is linear with atomic oxygen fluence using a material whose atomic oxygen erosion yield has been measured over a period of several years in low-Earth orbit.

  20. Oxygen adsorption on Fe(110) surface revisited

    NASA Astrophysics Data System (ADS)

    Ossowski, Tomasz; Kiejna, Adam

    2015-07-01

    We performed density functional theory calculations of an oxygen adsorption on a Fe(110) surface to examine structural, electronic, and magnetic properties of O/Fe(110) systems. Oxygen adsorption in different on-surface sites was considered for O coverages varying between a 1/4 and 1 monolayer (ML). It has been found that an oxygen adsorption in long bridge sites is less favorable than in pseudo threefold hollow sites, although at low coverage (1/4 ML) the adsorption in both sites is nearly degenerated in energy. At higher coverages, oxygen atoms markedly prefer to bind in pseudo threefold coordinated hollows. This is in contrast to the experiments which suggested that the long bridge sites are most stable, and to earlier theoretical studies which reported the threefold coordinated hollow sites to be unstable. We show that the preference for an oxygen adsorption in the threefold hollow sites which results from calculations presented in this work can be reconciled with experimental observations of low-coverage adsorption of O in long bridge sites. Consequences of this change in the order of the stability of on-surface sites for the O atoms adsorption in subsurface sites at the O-precovered Fe(110) surface are briefly discussed.

  1. Carbon substituting for oxygen in silicates: A novel mechanism for carbon incorporation in the deep Earth

    NASA Astrophysics Data System (ADS)

    Armentrout, M. M.; Tavakoli, A.; Ionescu, E.; Mera, G.; Riedel, R.; Navrotsky, A.

    2013-12-01

    Traditionally, carbon in the deep Earth has been thought of in terms of either carbonate at high oxygen fugacities or graphite or diamond under more reducing conditions. However, material science studies of amorphous Si-O-C polymer derived ceramics have demonstrated that carbon can be accommodated as an anion substituting for oxygen in mixed silica tetrahedra. Furthermore these structures are energetically favorable relative to a mixture of crystalline silica, silicon carbide, and graphite by ten or more kJ/g.atom. Thermodynamic stability suggests that these nano-structured composites are a potentially important storage mechanism for carbon under moderately reducing conditions. Here we expand the scope of the previous work by examining the compositional effect of geologically relevant cations (calcium and magnesium) on the thermodynamic stability, nanostructure, and ability to accommodate carbon of these composites. Silicon oxy-carbides doped with magnesium, magnesium and calcium or undoped resisted crystallization at 1100 C under inert atmosphere. 29Si NMR of the samples shows a similar distribution of silicon between end-member and mixed sites (Table 1). Results are presented from studies utilizing NMR, high temperature solution calorimetry, and microprobe. Table 1. Percentages of Si species in each material as determined by 29Si NMR.

  2. Chorangiosis and placental oxygenation.

    PubMed

    Suzuki, Kazunao; Itoh, Hiroaki; Kimura, Satoshi; Sugihara, Kazuhiro; Yaguchi, Chizuko; Kobayashi, Yukiko; Hirai, Kyuya; Takeuchi, Kinya; Sugimura, Motoi; Kanayama, Naohiro

    2009-06-01

    Chorangiosis is a vascular hyperplasia in the terminal chorionic villi, usually diagnosed histologically using the criteria of Altshuler. Its true etiology has not been fully identified, but chorangiosis has been proposed to result from a longstanding, rather low-grade hypoxia in the placental tissue. To clarify a possible association of placental oxygenation status with the development of chorangiosis, we measured placental tissue oxygen index (TOI) values using near-infrared spectroscopy (NIRS) before delivery and retrospectively compared them to the detection of placental chorangiosis, in a total of 47 (46 singleton and one set of dichorionic diamniotic twins) pregnant women. Small for gestational age (SGA) and/or maternal complications were observed in all cases of placental chorangiosis. Placental TOI values were significantly elevated in cases of chorangiosis. This indicates high oxygen saturation in the intervillous spaces because placental TOI values are expected to represent the oxygenation of maternal blood in the placental tissue. A possible preceding low efficiency of oxygen transfer to the fetal circulation in the villi might not only augment the oxygen saturation of maternal blood in intervillous spaces, but also cause rather low oxygenation in the capillaries of the villi and result in chorangiosis. PMID:19489958

  3. Magnetism in Lithium–Oxygen Discharge Product

    SciTech Connect

    Lu, Jun; Jung, Hun-Ji; Lau, Kah Chun; Zhang, Zhengcheng; Schlueter, John A.; Du, Peng; Assary, Rajeev S.; Greeley, Jeffrey P.; Ferguson, Glen A.; Wang, Hsien-Hau; Hassoun, Jusef; Iddir, Hakim; Zhou, Jigang; Zuin, Lucia; Hu, Yongfeng; Sun, Yang-Kook; Scrosati, Bruno; Curtiss, Larry A.; Amine, Khalil

    2013-05-13

    Nonaqueous lithium–oxygen batteries have a much superior theoretical gravimetric energy density compared to conventional lithium-ion batteries, and thus could render long-range electric vehicles a reality. A molecular-level understanding of the reversible formation of lithium peroxide in these batteries, the properties of major/minor discharge products, and the stability of the nonaqueous electrolytes is required to achieve successful lithium–oxygen batteries. We demonstrate that the major discharge product formed in the lithium–oxygen cell, lithium peroxide, exhibits a magnetic moment. These results are based on dc-magnetization measurements and a lithium– oxygen cell containing an ether-based electrolyte. The results are unexpected because bulk lithium peroxide has a significant band gap. Density functional calculations predict that superoxide- type surface oxygen groups with unpaired electrons exist on stoichiometric lithium peroxide crystalline surfaces and on nanoparticle surfaces; these computational results are consistent with the magnetic measurement of the discharged lithium peroxide product as well as EPR measurements on commercial lithium peroxide. The presence of superoxide-type surface oxygen groups with spin can play a role in the reversible formation and decomposition of lithium peroxide as well as the reversible formation and decomposition of electrolyte molecules.

  4. Magnetism in lithium-oxygen discharge product.

    PubMed

    Lu, Jun; Jung, Hun-Ji; Lau, Kah Chun; Zhang, Zhengcheng; Schlueter, John A; Du, Peng; Assary, Rajeev S; Greeley, Jeffrey; Ferguson, Glen A; Wang, Hsien-Hau; Hassoun, Jusef; Iddir, Hakim; Zhou, Jigang; Zuin, Lucia; Hu, Yongfeng; Sun, Yang-Kook; Scrosati, Bruno; Curtiss, Larry A; Amine, Kahlil

    2013-07-01

    Nonaqueous lithium-oxygen batteries have a much superior theoretical gravimetric energy density compared to conventional lithium-ion batteries, and thus could render long-range electric vehicles a reality. A molecular-level understanding of the reversible formation of lithium peroxide in these batteries, the properties of major/minor discharge products, and the stability of the nonaqueous electrolytes is required to achieve successful lithium-oxygen batteries. We demonstrate that the major discharge product formed in the lithium-oxygen cell, lithium peroxide, exhibits a magnetic moment. These results are based on dc-magnetization measurements and a lithium-oxygen cell containing an ether-based electrolyte. The results are unexpected because bulk lithium peroxide has a significant band gap. Density functional calculations predict that superoxide-type surface oxygen groups with unpaired electrons exist on stoichiometric lithium peroxide crystalline surfaces and on nanoparticle surfaces; these computational results are consistent with the magnetic measurement of the discharged lithium peroxide product as well as EPR measurements on commercial lithium peroxide. The presence of superoxide-type surface oxygen groups with spin can play a role in the reversible formation and decomposition of lithium peroxide as well as the reversible formation and decomposition of electrolyte molecules. PMID:23670967

  5. Wildlife monitoring, modeling, and fugacity

    SciTech Connect

    Clark, T.; Clark, K.; Paterson, S.; Mackay, D.; Norstrom, R.J. (Univ. of Toronto, Ontario (Canada))

    1988-02-01

    Observations of wildlife populations and their state of health have played a key role in identifying situations in which chemical contaminants have reached unacceptable concentrations in the environment. The reproductive failure of several species - including the peregrine falcon (Falco peregrinus), the double crested cormorant (Phalocrocorax auritus), the brown pelican (Pelicanus occidentalis), and the osprey (Pandion haliaetus) - has been attributed to organochlorine contamination. As the mine canary can warn of the presence of a poisonous gas in a coal mine, wildlife populations can act as sentinels for excessive chemical contamination. This blunt and often tragic exploitation of wildlife as a sentinel is, to be sure, an extreme example of the more subtle and far-reaching issue of the extent to which wildlife tissues can be used to indicate general levels of environmental contamination and provide guidance to the scientific and regulatory communities about the state of the environment.

  6. Inflation Calculator

    NSDL National Science Digital Library

    Friedman, S. Morgan.

    This simple inflation calculator uses the Consumer Price Index to adjust any given amount of money, from 1800 to 1998. Creator S. Morgan Friedman uses data from the Historical Statistics of the United States for statistics predating 1975 and the annual Statistics Abstracts of the United States for data from 1975 to 1998. Links to other online inflation information are also included.

  7. Calculation Nation

    NSDL National Science Digital Library

    2011-01-01

    This web site, which is part of the NCTM Illuminations project, allows students to challenge themselves or opponents from anywhere in the world by playing games that are organized around content from the upper elementary and middle grades math curriculum. The games allow students to learn about fractions, factors, multiples, symmetry, as well as practice important skills like basic multiplication and calculating area.

  8. Midlatitude oxygen ultraviolet nightglow

    NASA Technical Reports Server (NTRS)

    Brune, W. H.; Feldman, P. D.; Anderson, R. C.; Fastie, W. G.; Henry, R. C.

    1978-01-01

    A rocket-borne spectrometer measured the weak UV nightglow from 1240 to 1670 A in the altitude range 180-345 km above White Sands, New Mexico. Detection of nightglow emissions at the atomic oxygen lines (1304 and 1356 A) confirmed the existence of a weak midlatitude oxygen nightglow similar to the tropical airglow. Radiative recombination appeared to be the principal cause of the peak observed intensities of the atomic oxygen line emissions, though a maximum 25% contribution from mutual neutralization of O(+) and O(-) could also be contemplated. Partial radiative recombination coefficients are derived from the data.

  9. Electrochemical oxygen concentrator as an oxygen compressor

    NASA Technical Reports Server (NTRS)

    1975-01-01

    A solid polymer electrolyte (SPE) oxygen compressor is described which generates pressures of 3000 psi. The SPE is a cation exchange membrane with chemical compatibility, and has the capability of withstanding 5000 psi. Other features of the compressor described include: gasketless sealing, porus plate cell supports, and conductive cooling. Results are presented of a computer program which defines the power of the system as a function of density, temperature, pressure, membrane thickness, and water content.

  10. Fluorescence quantum yield of verteporfin is independent of oxygen

    NASA Astrophysics Data System (ADS)

    Monahan, Tim; Jiang, Shudong; Pogue, Brian

    2008-02-01

    Photodynamic therapy dosimetery and treatment planning is affected by the concentration of photosensitizer in a given tissue, and these values are often estimated based on measurements of fluorescence in the region to be treated. Some studies with benzoporphyrin derivate monoacid ring a (BPD-MA) showed a significant increase in fluorescence quantum yield with deoxygenation of the solution, indicating a possible oxygen sensitive switch in intersystem crossing or reverse intersystem crossing. The experiments done in this paper show that at oxygenation levels found in vivo the variation in fluorescence quantum yield of liposomal BPD-MA (verteporfin) is negligible for changes in solution oxygenation. The results from all of the experiments show that it is not necessary to measure the oxygenation of tissues when calculating the concentration of verteporfin from fluorescence measurements, so that dosimetry calculations based upon photosensitizer levels would not be affected by the tissue oxygenation. This greatly simplifies the dosimetry process with verteporfin.

  11. High Selectivity Oxygen Delignification

    SciTech Connect

    Lucian A. Lucia

    2005-11-15

    Project Objective: The objectives of this project are as follows: (1) Examine the physical and chemical characteristics of a partner mill pre- and post-oxygen delignified pulp and compare them to lab generated oxygen delignified pulps; (2) Apply the chemical selectivity enhancement system to the partner pre-oxygen delignified pulps under mill conditions (with and without any predetermined amounts of carryover) to determine how efficiently viscosity is preserved, how well selectivity is enhanced, if strength is improved, measure any yield differences and/or bleachability differences; and (3) Initiate a mill scale oxygen delignification run using the selectivity enhancement agent, collect the mill data, analyze it, and propose any future plans for implementation.

  12. Medical Oxygen Safety

    MedlinePLUS

    NFPA Public Education Division • 1 Batterymarch Park, Quincy, MA 02169 Your Source for SAFETY Information www.nfpa.org/education FACTS • Oxygen saturates fabric covered furniture, clothing, hair and bedding, making it easier for a fire ...

  13. Calculation Software

    NASA Technical Reports Server (NTRS)

    1994-01-01

    MathSoft Plus 5.0 is a calculation software package for electrical engineers and computer scientists who need advanced math functionality. It incorporates SmartMath, an expert system that determines a strategy for solving difficult mathematical problems. SmartMath was the result of the integration into Mathcad of CLIPS, a NASA-developed shell for creating expert systems. By using CLIPS, MathSoft, Inc. was able to save the time and money involved in writing the original program.

  14. Broken Calculator

    NSDL National Science Digital Library

    Mandy Barrow

    2008-01-01

    This interactive applet helps students develop fluency and flexibility with numbers. At each of 6 difficulty levels the user is presented with 8 target numbers and a partial set of keys on a basic calculator (does not follow order of operations). The goal is to use the given keys to make as many of the target numbers as possible within the 3-minute time limit. Some levels include memory keys.

  15. Study of tissue oxygen supply rate in a macroscopic photodynamic therapy singlet oxygen model

    NASA Astrophysics Data System (ADS)

    Zhu, Timothy C.; Liu, Baochang; Penjweini, Rozhin

    2015-03-01

    An appropriate expression for the oxygen supply rate (?s) is required for the macroscopic modeling of the complex mechanisms of photodynamic therapy (PDT). It is unrealistic to model the actual heterogeneous tumor microvascular networks coupled with the PDT processes because of the large computational requirement. In this study, a theoretical microscopic model based on uniformly distributed Krogh cylinders is used to calculate ?s=g (1-[O]/[]0) that can replace the complex modeling of blood vasculature while maintaining a reasonable resemblance to reality; g is the maximum oxygen supply rate and [O]/[]0 is the volume-average tissue oxygen concentration normalized to its value prior to PDT. The model incorporates kinetic equations of oxygen diffusion and convection within capillaries and oxygen saturation from oxyhemoglobin. Oxygen supply to the tissue is via diffusion from the uniformly distributed blood vessels. Oxygen can also diffuse along the radius and the longitudinal axis of the cylinder within tissue. The relations of ?s to [3O2]/] are examined for a biologically reasonable range of the physiological parameters for the microvasculature and several light fluence rates (?). The results show a linear relationship between ?s and [3O2]/], independent of ? and photochemical parameters; the obtained g ranges from 0.4 to 1390 ?M/s.

  16. Cardiac oxygenation by extracorporeal membrane oxygenation in exteriorized fetal lambs

    Microsoft Academic Search

    Yuji Murata; Keiya Fujimori; Edward J. Quilligan; Naoki Nagata; Satoshi Ibara; Takahiro Hirano; Toshiya Kamimura

    1996-01-01

    OBJECTIVE: The purpose of this study was to determine the degree of cardiac oxygenation produced by different routes of extracorporeal membrane oxygenation in fetal lambs submerged in warm saline solution. STUDY DESIGN: Seven fetal lambs ranging in age from 113 to 133 days of gestation were delivered by cesarean section and oxygenated with extracorporeal membrane oxygenation. To maintain the patency

  17. Experimental and theoretical investigation of oxygen diffusion in stabilised zirconia

    NASA Astrophysics Data System (ADS)

    Kilo, M.; Fundenberger, C.; Argirusis, C.; Taylor, M. A.; Borchardt, G.; Weller, M.; Jackson, R. A.

    Oxygen diffusion in stabilised zirconias is investigated by the simultaneous application of computer modelling and experimental techniques to yttria-stabilised zirconia. Using the Mott-Littleton method, migration pathways for oxygen ions have been calculated in perfect cubic zirconia. The oxygen migration occurs through a straight pathway, but not starting from the ideal lattice positions. The calculated activation energy of migration is about 0.2 eV. Oxygen transport is investigated experimentally in YSZ containing 8-24 mol% Y2O3 as a function of stabiliser content by combining the stable isotope (O-18(2)) method with ionic conductivity measurements. It was found that for a given temperature, diffusion and conductivity are highest for YSZ containing 8-10 mol% yttria, but with differing activation energies which can be compared to the calculated values.

  18. Lunar oxygen production by pyrolysis of regolith

    NASA Technical Reports Server (NTRS)

    Senior, Constance L.

    1991-01-01

    Oxygen represents one of the most desirable products of lunar mining and manufacturing. Among the many processes which have been proposed for oxygen production, pyrolysis stands out as one which is uncomplicated and easy to bootstrap. Pyrolysis or vapor-phase reduction involves heating regolith to temperatures sufficient to allow partial decomposition and vaporization. Some metal oxides give up oxygen upon heating, either in the gas phase to form reduced gaseous species or in the condensed phase to form a metallic phase. Based on preliminary experiments and equilibrium calculations, the temperatures needed for pyrolysis are expected to be in the range of 2000 to 2200 K, giving total gas pressures of 0.001 to 0.1 torr. Bulk regolith can be used as a feedstock without beneficiation with concentrated solar radiation supplying most of energy needed. Further, selective condensation of metal-containing species from the gas phase may yield metallic iron and silicon as byproducts.

  19. Photochemical Escape of Oxygen from Early Mars

    E-print Network

    Zhao, Jinjin

    2015-01-01

    Photochemical escape is an important process for oxygen escape from present Mars. In this work, a 1-D Monte-Carlo Model is developed to calculate escape rates of energetic oxygen atoms produced from O2+ dissociative recombination reactions (DR) under 1, 3, 10, and 20 times present solar XUV fluxes. We found that although the overall DR rates increase with solar XUV flux almost linearly, oxygen escape rate increases from 1 to 10 times present solar XUV conditions but decreases when increasing solar XUV flux further. Analysis shows that atomic species in the upper thermosphere of early Mars increases more rapidly than O2+ when increasing XUV fluxes. While the latter is the source of energetic O atoms, the former increases the collision probability and thus decreases the escape probability of energetic O. Our results suggest that photochemical escape be a less important escape mechanism than previously thought for the loss of water and/or CO2 from early Mars.

  20. Home oxygen therapy.

    PubMed

    O'Donohue, W J

    1996-05-01

    Both the efficacy and the indications for LTOT have been well defined. Most of the studies performed have focused on patients with hypoxemia caused by COPD, and the benefits observed are assumed to apply to all patients with correctable hypoxemia. For Medicare patients, oxygen is reimbursed under a prospective payment system with all delivery systems considered to be cost and therapeutically equal. Because there are, in fact, substantial clinical differences in the medical indications for individual oxygen delivery systems, it is imperative that the prescribing physician be prepared to order the therapy that is most appropriate for each patient. Most home oxygen therapy is now being ordered by primary care physicians, often functioning as gatekeepers in managed care organizations. Education of primary care physicians in this area is often inadequate, and decisions for therapy should not be delegated to the equipment suppliers. If the study of home oxygen therapy conducted by the Office of the Inspector General were repeated today, less misuse of home oxygen would probably be found because of more clearly defined indications and requirements for therapy, but it is likely that the study would find that the level of knowledge of the prescribing physician has not maintained pace with the advances in technology. Continuing education for primary care physicians in this area of respiratory care is essential for appropriate medical management now and in the future. PMID:8637306

  1. STUDIES OF OXYGEN IN THE VENOUS BLOOD

    PubMed Central

    Lundsgaard, Christen

    1918-01-01

    1. A report is made of 103 determinations of the oxygen unsaturation of the venous blood of five patients with incompensated heart diseases. 2. Values for the oxygen unsaturation within normal limits were found only under two circumstances: (a) in a stage of full compensation, and (b) in a stage of incompensation where the symptoms were rapidly lessening. 3. Values above the upper normal extreme were met with under three circumstances: (a) during incompensation, (b) during compensation just before the clinical symptoms of incompensation had developed, and (c) at times in patients with auricular fibrillations in a condition of complete and stable compensation. 4. A comparison has been drawn between the directly found value for the oxygen unsatilration and the values for the oxygen consumption calculated from previous experiments by the writer on the blood flow (minute volume of the heart), in patients with similar clinical conditions. A close agreement existed. 5. It seems probable from our experience with patients under digitalis therapy that the oxygen unsaturation affords, an objective criterion of the positive effect of the therapy. PMID:19868202

  2. Occlusion Calculator

    PubMed Central

    Hiremath, Anand; Aluckal, Eby

    2015-01-01

    Start with end in mind’ is a popular cliché in orthodontics. This aptly applies to the therapeutic occlusion the orthodontist strives to achieve. Predicting the post treatment occlusion is an essential component of treatment planning. When no extractions or symmetric extractions are done predicting the final occlusion is somewhat easy. Prediction is challenging when we do unconventional and/or asymmetric extractions. To aid this decision Kesling proposed the ‘Kesling Setup’. Though it serves the purpose acceptably; it is time, energy and money consuming. We have developed a model which can help us visualize the final occlusion in matter of seconds. Although this model is primarily intended for orthodontic postgraduate teaching, it can be of considerable use even to a seasoned orthodontist. The regular use of “Orthodontic Calculator” in our department is a testimony to its usefulness. PMID:25738101

  3. Probability Calculator

    NSDL National Science Digital Library

    Stark, Philip B.

    This tool lets you calculate the probability that a random variable X is in a specified range, for a variety of probability distributions for X: the normal distribution, the binomial distribution with parameters n and p, the chi-square distribution, the exponential distribution, the geometric distribution, the hypergeometric distribution, the negative binomial distribution, the Poisson distribution, and Student's t-distribution. The first choice box lets you select a probability distribution. Depending on the distribution you select, text areas will appear for you to enter the values of the parameters of the distribution. Parameters that are probabilities (e.g., the chance of success in each trial for a binomial distribution) can be entered either as decimal numbers between 0 and 1, or as percentages. If you enter a probability as a percentage, be sure to include the percent sign (%) after the number.

  4. Productivity Estimation of Hypersaline Microbial Mat Communities - Diurnal Cycles of Dissolved Oxygen

    Microsoft Academic Search

    G. Less; Y. Cohen; B. Luz; B. Lazar

    2002-01-01

    Hypersaline microbial mat communities (MMC) are the modern equivalents of the Archean stromatolities, the first photosynthetic organisms on Earth. An estimate of their oxygen production rate is important to the understanding of oxygen evolution on Earth ca. 2 b.y.b.p. Here we use the diurnal cycle of dissolved oxygen, O2\\/Ar ratio and the isotopic composition of dissolved oxygen to calculate net

  5. Lunar Oxygen as Monopropellant

    NASA Astrophysics Data System (ADS)

    Johansen, Donald G.

    2008-04-01

    This paper explores the feasibility of beamed energy propulsion to provide transportation to and from the lunar surface to low lunar orbit using lunar oxygen as propellant. Oxygen, as an Electro-Thermal Propulsion (ETP) monopropellant, has specific impulse comparing favorably with chemical bipropellants, though not as high as cryogenic LO2+LH2. Lunar hydrogen is not available in non-polar regions and costly to transport from earth for use as fuel for lunar operations. However, oxygen is a major component of lunar soil and available given ISRU (In Situ Resource Utilization) infrastructure. Low-gravity and vacuum environment plus low velocity increments are distinct advantages favoring lunar-based beamed energy propulsion. In lunar vacuum and low gravity environment, energy storage devices such as SMES (Superconductor Magnet Energy Storage) and FES (Flywheel Energy Storage) should exhibit improved efficiency. Microwave source design also favors vacuum operation.

  6. Interactions of Oxygen and Hydrogen on Pd(111) surface

    SciTech Connect

    Demchenko, D.O.; Sacha, G.M.; Salmeron, M.; Wang, L.-W.

    2008-06-25

    The coadsorption and interactions of oxygen and hydrogen on Pd(1 1 1) was studied by scanning tunneling microscopy and density functional theory calculations. In the absence of hydrogen oxygen forms a (2 x 2) ordered structure. Coadsorption of hydrogen leads to a structural transformation from (2 x 2) to a ({radical}3 x {radical}3)R30 degree structure. In addition to this transformation, hydrogen enhances the mobility of oxygen. To explain these observations, the interaction of oxygen and hydrogen on Pd(1 1 1) was studied within the density functional theory. In agreement with the experiment the calculations find a total energy minimum for the oxygen (2 x 2) structure. The interaction between H and O atoms was found to be repulsive and short ranged, leading to a compression of the O islands from (2 x 2) to ({radical}3 x {radical}3)R30 degree ordered structure at high H coverage. The computed energy barriers for the oxygen diffusion were found to be reduced due to the coadsorption of hydrogen, in agreement with the experimentally observed enhancement of oxygen mobility. The calculations also support the finding that at low temperatures the water formation reaction does not occur on Pd(1 1 1).

  7. Life with Oxygen

    NSDL National Science Digital Library

    Gregg L. Semenza (The Johns Hopkins University School of Medicine; Vascular Program, Institute for Cell Engineering; Departments of Pediatrics, Medicine, Oncology, Radiation Oncology; and McKusick-Nathans Institute of Genetic Medicine)

    2007-10-05

    Access to the article is free, however registration and sign-in are required. Hypoxia-inducible factor 1 (HIF-1) is a transcription factor that functions as a master regulator of oxygen homeostasis and has essential roles in metazoan development, physiology, and disease pathogenesis. Remarkable progress has been made in delineating the molecular mechanisms whereby changes in cellular oxygenation are transduced to the nucleus as changes in gene transcription through the activity of HIF-1. Pharmacologic agents that activate or inhibit the hypoxia signal transduction pathway may be useful therapies for ischemic and neoplastic disorders, respectively, which are the major causes of mortality in industrialized societies.

  8. Absolute photoionization cross sections of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Samson, J. A. R.; Pareek, P. N.

    1982-01-01

    The absolute values of photoionization cross sections of atomic oxygen were measured from the ionization threshold to 120 A. An auto-ionizing resonance belonging to the 2S2P4(4P)3P(3Do, 3So) transition was observed at 479.43 A and another line at 389.97 A. The experimental data is in excellent agreement with rigorous close-coupling calculations that include electron correlations in both the initial and final states.

  9. Oxygen saturation calculation procedures: A critical analysis of six equations for the determination of oxygen saturation

    Microsoft Academic Search

    H.-W. M. Breuer; H. Groeben; J. Breuer; H. Worth

    1989-01-01

    Photometrically measured values of O2-saturation (SO2) were compared with SO2 predictions on the basis of the equations proposed by Heck, Kelman, Lutz, Marsoner, Severinghaus, and Siggaard-Andersen on 1350 occasions. Capillary, venous and mixed venous blood samples from 23 healthy subjects and 30 patients, suffering from cardio-pulmonary diseases were analyzed at rest, during exhaustion, limited exercise and during the recovery phase

  10. hp calculators HP 50g Date calculations

    E-print Network

    Vetter, Frederick J.

    hp calculators HP 50g Date calculations The TIME menu Adding days to a date Days between dates Practice solving date problems #12;hp calculators HP 50g Date calculations hp calculators - 2 - HP 50g Date on the first level of the stack, prior to the execution of the DATE+ function. #12;hp calculators HP 50g Date

  11. Oxygen scavenger system

    Microsoft Academic Search

    D. Redmore; J. J. Marr

    1971-01-01

    Because of the corrosive nature of oil-field brines, and most particularly aerated oil-field brines, to economically produce oil by waterflooding, it is necessary to prevent or reduce corrosion since corrosion increases the cost by making it necessary to repair and replace such equipment at frequent intervals. A composition suitable as an oxygen scavenger is characterized as a solution of salts

  12. The Oxygen Flask Method

    ERIC Educational Resources Information Center

    Boulton, L. H.

    1973-01-01

    Discusses application of Schoniger's method of quantitative organic elemental analysis in teaching of qualitative analysis of the halogens, nitrogen, sulphur, and phosphorus. Indicates that the oxygen flask method is safe and suitable for both high school and college courses because of simple apparatus requirements. (CC)

  13. OXYGEN DIFFUSION IN FORSTERITE

    Microsoft Academic Search

    K. P. R. Reddy; S. M. Oh; L. D. Major; A. R. Cooper

    1980-01-01

    Oxygen self-diffusion coefficients for forsteritc single crystals were determined in different orientations by the single-spectrum proton activation technique. In the temperature range 1275ø-1625C chdiffusion coefficients in b direction can be represented by D b = 3.5 x 10 '3 exp ((-89 _ 3 kcal\\/mol)\\/RT) cm2\\/s. Int roduct ion

  14. Oxygen radicals and signaling

    Microsoft Academic Search

    Toren Finkel

    1998-01-01

    Recent evidence suggests that reactive oxygen species, such as superoxide anions and hydrogen peroxide, function as intracellular second messengers. This review will discuss the progress in understanding the intracellular pathways leading from ligand stimulation to the generation of oxidants, as well as some of the increasing number of cellular processes that appear to be subject to redox regulation.

  15. FUEL OXYGENATES HEALTH ISSUES

    EPA Science Inventory

    Oxygenates (e.g., methyl tertiary butyl ether [MTBE], ethanol) are required in certain areas of the United States by the 1990 Clean Air Act Amendments. MTBE and ethanol have also been used to increase octane ratings in U.S. gasoline since the 1970s. In 1996 alone, 10 billion Kg...

  16. Stellar oxygen abundances

    Microsoft Academic Search

    Jeremy R. King

    1993-01-01

    We address a variety of issues concerning stellar oxygen abundances. We first investigate the discrepancy in O abundances of halo stars as derived from the 7774 A O I triplet and other lines and propose a resolution to this discrepancy. Next, possible cosmological implications of the hotter Teff scale are discussed along with additional evidence supporting the need for a

  17. Assessing hafnium on hafnia as an oxygen getter

    SciTech Connect

    O'Hara, Andrew; Demkov, Alexander A., E-mail: demkov@physics.utexas.edu [Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States); Bersuker, Gennadi [SEMATECH, Albany, New York 12203 (United States)

    2014-05-14

    Hafnium dioxide or hafnia is a wide band gap dielectric used in a range of electronic applications from field effect transistors to resistive memory. In many of these applications, it is important to maintain control over oxygen stoichiometry, which can be realized in practice by using a metal layer, specifically hafnium, to getter oxygen from the adjacent dielectric. In this paper, we employ density functional theory to study the thermodynamic stability of an interface between (100)-oriented monoclinic hafnia and hafnium metal. The nudged elastic band method is used to calculate the energy barrier for migration of oxygen from the oxide to the metal. Our investigation shows that the presence of hafnium lowers the formation energy of oxygen vacancies in hafnia, but more importantly the oxidation of hafnium through the migration of oxygen from hafnia is favored energetically.

  18. How Does Oxygen Therapy Work?

    MedlinePLUS

    ... this page from the NHLBI on Twitter. How Does Oxygen Therapy Work? Oxygen therapy provides you with ... pass through your nose or mouth like it does with the other delivery systems. A humidifier adds ...

  19. Surface acoustic wave oxygen sensor

    NASA Technical Reports Server (NTRS)

    Collman, James P.; Oglesby, Donald M.; Upchurch, Billy T.; Leighty, Bradley D.; Zhang, Xumu; Herrmann, Paul C.

    1994-01-01

    A surface acoustic wave (SAW) device that responds to oxygen pressure was developed by coating a 158 MHz quartz surface acoustic wave (SAW) device with an oxygen binding agent. Two types of coatings were used. One type was prepared by dissolving an oxygen binding agent in a toluene solution of a copolymer containing the axial ligand. A second type was prepared with an oxygen binding porphyrin solution containing excess axial ligand without a polymer matrix. In the polymer based coatings, the copolymer served to provide the axial ligand to the oxygen binding agent and as a coating matrix on the surface of the SAW device. The oxygen sensing SAW device has been shown to bind oxygen following a Langmuir isotherm and may be used to measure the equilibrium constant of the oxygen binding compound in the coating matrix.

  20. Effect of surface strain on oxygen adsorption on Zr (0001) surface

    SciTech Connect

    Wang, Xing [Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Engineering Physics; Khafizov, Marat [Idaho National Laboratory (INL), Idaho Falls, ID (United States); Szlufarska, Izabela [Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Engineering Physics; Univ. of Wisconsin-Madison, Madison, WI (United States). Dept. of Materials Science and Engineering

    2014-02-01

    The effect of surface strain on oxygen adsorption on Zr (0 0 0 1) surface is investigated by density functional theory (DFT) calculations. It is demonstrated that both surface strain and interactions between oxygen adsorbates influence the adsorption process. Oxygen binding to zirconium becomes stronger as the strain changes from compressive to tensile. When oxygen coverage is low and the oxygen interactions are negligible, surface face-centered cubic sites are the most stable for O binding. At high coverage and under compression, octahedral sites between second and third Zr layers become most favorable because the interactions between adsorbates are weakened by positive charge screening. Calculations with both single-layer adsorption model and multiple-layer adsorption model demonstrate that compressive strain at the Zr/oxide interface will provide a thermodynamic driving force for oxygen to incorporate from the surface into the bulk of Zr, while binding oxygen to the Zr surface will be easier when tensile strain is applied.

  1. Oxygen in demand: How oxygen has shaped vertebrate physiology.

    PubMed

    Dzal, Yvonne A; Jenkin, Sarah E M; Lague, Sabine L; Reichert, Michelle N; York, Julia M; Pamenter, Matthew E

    2015-08-01

    In response to varying environmental and physiological challenges, vertebrates have evolved complex and often overlapping systems. These systems detect changes in environmental oxygen availability and respond by increasing oxygen supply to the tissues and/or by decreasing oxygen demand at the cellular level. This suite of responses is termed the oxygen transport cascade and is comprised of several components. These components include 1) chemosensory detectors that sense changes in oxygen, carbon dioxide, and pH in the blood, and initiate changes in 2) ventilation and 3) cardiac work, thereby altering the rate of oxygen delivery to, and carbon dioxide clearance from, the tissues. In addition, changes in 4) cellular and systemic metabolism alters tissue-level metabolic demand. Thus the need for oxygen can be managed locally when increasing oxygen supply is not sufficient or possible. Together, these mechanisms provide a spectrum of responses that facilitate the maintenance of systemic oxygen homeostasis in the face of environmental hypoxia or physiological oxygen depletion (i.e. due to exercise or disease). Bill Milsom has dedicated his career to the study of these responses across phylogenies, repeatedly demonstrating the power of applying the comparative approach to physiological questions. The focus of this review is to discuss the anatomy, signalling pathways, and mechanics of each step of the oxygen transport cascade from the perspective of a Milsomite. That is, by taking into account the developmental, physiological, and evolutionary components of questions related to oxygen transport. We also highlight examples of some of the remarkable species that have captured Bill's attention through their unique adaptations in multiple components of the oxygen transport cascade, which allow them to achieve astounding physiological feats. Bill's research examining the oxygen transport cascade has provided important insight and leadership to the study of the diverse suite of adaptations that maintain cellular oxygen content across vertebrate taxa, which underscores the value of the comparative approach to the study of physiological systems. PMID:25698654

  2. Investigation of oxygen point defects in cubic ZrO2 by density functional theory

    SciTech Connect

    Liu, Bin [ORNL] [ORNL; Xiao, Haiyan [University of Tennessee, Knoxville (UTK)] [University of Tennessee, Knoxville (UTK); Zhang, Yanwen [ORNL] [ORNL; Aidhy, Dilpuneet S [ORNL] [ORNL; Weber, William J [ORNL] [ORNL

    2014-01-01

    The energetics of formation and migration of the oxygen vacancy and interstitial in cubic ZrO2 are investigated by density functional theory calculations. In an O-rich environment, the negatively charged oxygen interstitial is the most dominant defect whereas, the positively charged oxygen vacancy is the most dominant defect under O-poor conditions. Oxygen interstitial migration occurs by the interstitialcy and the direct interstitial mechanisms, with calculated migration energy barriers of 2.94 eV and 2.15 eV, respectively. For the oxygen vacancy, diffusion is preferred along the <100> direction, and the calculated energy barriers are 0.26 eV for , 0.27 eV for and 0.54 eV for . These results indicate that oxygen diffusivity is higher through the vacancy-migration mechanism.

  3. Time dependence of singlet oxygen luminescence provides an indication of oxygen concentration during oxygen consumption.

    PubMed

    Baier, Jürgen; Maisch, Tim; Regensburger, Johannes; Loibl, Maria; Vasold, Rudolf; Bäumler, Wolfgang

    2007-01-01

    Singlet oxygen plays a major role in photodynamic inactivation of tumor cells or bacteria. Its efficacy depends critically on the oxygen concentration [O(2)], which can decrease in case oxygen is consumed caused by oxidative reactions. When detecting singlet oxygen directly by its luminescence at 1270 nm, the course of the luminescence signal is critically affected by [O(2)]. Thus, it should be feasible to monitor oxygen consumption during photo-oxidative processes. Singlet oxygen was generated by exciting a photosensitizer (TMPyP) in aqueous solution (H(2)O or D(2)O) of albumin. Chromatography shows that most of the TMPyP molecules are unbound, and therefore singlet oxygen molecules can diffuse in the solution. A sensor device for oxygen concentration revealed a rapid decrease of [O(2)] (oxygen depletion) in the solution during irradiation. The extent of oxygen depletion in aqueous albumin solution depends on the radiant exposure and the solvent. When detecting the luminescence signal of singlet oxygen, the shape of the luminescence signal significantly changed with irradiation time. Thus, local oxygen consumption could be monitored during photodynamic action by evaluating the course of singlet oxygen luminescence. PMID:18163824

  4. MIT: Project Oxygen

    NSDL National Science Digital Library

    MIT's Project Oxygen designs computer systems that are more "human-centered" than current systems that "have required us to interact with them on their terms, speaking their languages and manipulating their keyboards or mice." The project title alludes to the group's goal of "bringing abundant computation and communication, as pervasive and free as air, naturally into people's lives." This means developing a system that is pervasive, embedded, nomadic, adaptable, powerful, yet efficient, intentional, and eternal, according to the website These criteria are met using device, network, software, perceptual, and user technologies, all of which are described on the site. Several possible applications are presented in terms of hypothetical situations where this type of system would come in handy. Demonstration videos allow visitors to view a sampling of some of the technologies being tested by Project Oxygen researchers and their industry partners.

  5. High pressure oxygen furnace

    DOEpatents

    Morris, Donald E. (Kensington, CA)

    1992-01-01

    A high temperature high pressure oxygen furnace having a hybrid partially externally heated construction is disclosed. A metallic bar fabricated from an alloy having a composition of at least 45% nickel, 15% chrome, and 10% tungsten is utilized (the preferred alloy including 55% nickel, 22% chrome, 14% tungsten, 2% molybdenum, 3% iron (maximum) and 5% cobalt (maximum). The disclosed alloy is fabricated into 11/4 inch bar stock and has a length of about 17 inches. This bar stock is gun drilled for over 16 inches of its length with 0.400 inch aperture to define a closed high temperature, high pressure oxygen chamber. The opposite and closed end of the bar is provided with a small support aperture into which both a support and a thermocouple can be inserted. The closed end of the gun drilled bar is inserted into an oven, preferably heated by standard nickel chrome electrical elements and having a heavily insulated exterior.

  6. Rational Manipulation of Oxygen Delivery

    Microsoft Academic Search

    Thane Blinman; Melinda Maggard

    2000-01-01

    Background. Optimization of oxygen delivery remains the best method to prevent and the only way to treat common intensive care unit syndromes such as sepsis, multiple organ dysfunction, and acute lung injury. This paper reviews the elements of oxygen delivery, describes how clinical interventions work through those elements to alter oxygen delivery, reviews theoretical and empirical data relating to manipulation

  7. Oxygen Sag and Stream Purification.

    ERIC Educational Resources Information Center

    Neal, Larry; Herwig, Roy

    1978-01-01

    Presents a literature review of water quality related to oxygen sag and stream purification, covering publications of 1976-77. This review includes: (1) self-purification models; (2) oxygen demand; and (3) reaeration and oxygen transfer. A list of 60 references is also presented. (HM)

  8. Bifunctional oxygen electrodes

    Microsoft Academic Search

    D. Tryk; W. Aldred; Z. Chen; C. Fierro; J. Hashiguchi; M. Hossain; Z. Zhang; F. Zhao

    1985-01-01

    The objective of the research on bifunctional oxygen electrodes for alkaline electrolytes was to improve significantly both the cathodic and anodic polarization as well as the cycle life of such electrodes. The research has focused on finding high-efficiency, long-life electrocatalysts for O2 reduction and generation and achieving an understanding of the mechanisms of the catalysis. Catalyst systems which have been

  9. Tissue Oxygenation in Sepsis

    Microsoft Academic Search

    David Brealey; Mervyn Singer

    1999-01-01

    The effect of sepsis on tissue oxygenation is complex and often confusing. This is in part due to the paucity of data from patients (excluding whole-body studies), and in part to the huge variation in laboratory models which have utilised different species, organs and cell lines, different insults, study durations and methods, fluid resuscitation regimens, and end-points. An organ-variable redistribution

  10. MISSE PEACE Polymers Atomic Oxygen Erosion Results

    NASA Technical Reports Server (NTRS)

    deGroh, Kim, K.; Banks, Bruce A.; McCarthy, Catherine E.; Rucker, Rochelle N.; Roberts, Lily M.; Berger, Lauren A.

    2006-01-01

    Forty-one different polymer samples, collectively called the Polymer Erosion and Contamination Experiment (PEACE) Polymers, have been exposed to the low Earth orbit (LEO) environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of Materials International Space Station Experiment 2 (MISSE 2). The objective of the PEACE Polymers experiment was to determine the atomic oxygen erosion yield of a wide variety of polymeric materials after long term exposure to the space environment. The polymers range from those commonly used for spacecraft applications, such as Teflon (DuPont) FEP, to more recently developed polymers, such as high temperature polyimide PMR (polymerization of monomer reactants). Additional polymers were included to explore erosion yield dependence upon chemical composition. The MISSE PEACE Polymers experiment was flown in MISSE Passive Experiment Carrier 2 (PEC 2), tray 1, on the exterior of the ISS Quest Airlock and was exposed to atomic oxygen along with solar and charged particle radiation. MISSE 2 was successfully retrieved during a space walk on July 30, 2005, during Discovery s STS-114 Return to Flight mission. Details on the specific polymers flown, flight sample fabrication, pre-flight and post-flight characterization techniques, and atomic oxygen fluence calculations are discussed along with a summary of the atomic oxygen erosion yield results. The MISSE 2 PEACE Polymers experiment is unique because it has the widest variety of polymers flown in LEO for a long duration and provides extremely valuable erosion yield data for spacecraft design purposes.

  11. Atmospheric Oxygen Photoabsorption

    NASA Technical Reports Server (NTRS)

    Slanger, Tom G.

    1996-01-01

    The work conducted on this grant was devoted to various aspects of the photophysics and photochemistry of the oxygen molecule. Predissociation linewidths were measured for several vibrational levels in the O2(B3 Sigma(sub u)(sup -)) state, providing good agreement with other groups working on this important problem. Extensive measurements were made on the loss kinetics of vibrationally excited oxygen, where levels between v = 5 and v = 22 were investigated. Cavity ring-down spectroscopy was used to measure oscillator strengths in the oxygen Herzberg bands. The great sensitivity of this technique made it possible to extend the known absorption bands to the dissociation limit as well as providing many new absorption lines that seem to be associated with new O2 transitions. The literature concerning the Herzberg band strengths was evaluated in light of our new measurements, and we made recommendations for the appropriate Herzberg continuum cross sections to be used in stratospheric chemistry. The transition probabilities for all three Herzberg band systems were re-evaluated, and we are recommending a new set of values.

  12. Calculating Thermophysical Properties Of 12 Fluids

    NASA Technical Reports Server (NTRS)

    Cleghorn, T. F.; Mccarty, R. D.

    1991-01-01

    MIPROPS is set of computer programs giving thermophysical and transport properties of selected fluids. Calculates properties of fluids in both liquid and vapor states over wide range of temperatures and pressures. Fluids included: helium, hydrogen, nitrogen, oxygen, argon, nitrogen trifluoride, methane, ethylene, ethane, propane, isobutane, and normal butane. All programs except helium program incorporate same equation of state. Written in FORTRAN 77.

  13. Using Excel to Calculate Mineral Chemical Analyses

    NSDL National Science Digital Library

    In this assignment, students are provided instructions to make an Excel spreadsheet to calculate mineral chemical analyses from weight percent to atoms per given number of oxygen atoms. This skill will be useful for the major rock-forming mineral groups.

  14. Dynamic oxygen-enhanced MRI of cerebrospinal fluid.

    PubMed

    Mehemed, Taha M; Fushimi, Yasutaka; Okada, Tomohisa; Yamamoto, Akira; Kanagaki, Mitsunori; Kido, Aki; Fujimoto, Koji; Sakashita, Naotaka; Togashi, Kaori

    2014-01-01

    Oxygen causes an increase in the longitudinal relaxation rate of tissues through its T1-shortening effect owing to its paramagnetic properties. Due to such effects, MRI has been used to study oxygen-related signal intensity changes in various body parts including cerebrospinal fluid (CSF) space. Oxygen enhancement of CSF has been mainly studied using MRI sequences with relatively longer time resolution such as FLAIR, and T1 value calculation. In this study, fifteen healthy volunteers were scanned using fast advanced spin echo MRI sequence with and without inversion recovery pulse in order to dynamically track oxygen enhancement of CSF. We also focused on the differences of oxygen enhancement at sulcal and ventricular CSF. Our results revealed that CSF signal after administration of oxygen shows rapid signal increase in both sulcal CSF and ventricular CSF on both sequences, with statistically significant predominant increase in sulcal CSF compared with ventricular CSF. CSF is traditionally thought to mainly form from the choroid plexus in the ventricles and is absorbed at the arachnoid villi, however, it is also believed that cerebral arterioles contribute to the production and absorption of CSF, and controversy remains in terms of the precise mechanism. Our results demonstrated rapid oxygen enhancement in sulcal CSF, which may suggest inhaled oxygen may diffuse into sulcal CSF space rapidly probably due to the abundance of pial arterioles on the brain sulci. PMID:24956198

  15. The Rate of Photorespiration as Measured by Means of Oxygen Uptake and Its Respiratory Quotient

    PubMed Central

    Samish, Yochai B.

    1971-01-01

    Oxygen recycling inside photosynthesizing leaves was found to amount to less than 0.3% of the oxygen consumed by photorespiration under natural conditions, provided the influence of buildup of oxygen released by photosynthesis into the external air was taken into consideration. When this is related to the amounts of photorespired CO2, which had been previously found to be reabsorbed by photosynthesis, it appears that previous respiratory quotients reported for photorespiration were underestimated. For the same reason the photosynthetic quotient was overestimated. Actually, quotients of photorespiration and of photosynthesis approach the more normal range of respiratory quotients int the dark. The oxygen recycling was calculated according to an electrical analogue to oxygen flow. The determination of photorespiration, when measured by oxygen uptake, can be more accurate than that by CO2 measurement. However, recycling of oxygen occurs in larger amounts at lower oxygen and higher CO2 concentrations, as well as under conditions of high resistance to transpiration. PMID:16657795

  16. Oxygen Transport Membranes

    SciTech Connect

    S. Bandopadhyay

    2008-08-30

    The focus of this research was to develop new membrane materials by synthesizing different compounds and determining their defect structures, crystallographic structures and electrical properties. In addition to measuring electrical conductivity, oxygen vacancy concentration was also evaluated using thermogravimetry, Neutron diffraction and Moessbauer Spectroscopy. The reducing conditions (CO{sub 2}/CO/H{sub 2} gas mixtures with steam) as encountered in a reactor environment can be expected to have significant influence on the mechanical properties of the oxides membranes. Various La based materials with and without Ti were selected as candidate membrane materials for OTM. The maximum electrical conductivity of LSF in air as a function of temperature was achieved at < 600 C and depends on the concentration of Sr (acceptor dopant). Oxygen occupancy in LSF was estimated using Neutron diffractometry and Moessbauer Spectroscopy by measuring magnetic moment changes depending on the Fe{sup 3+} and Fe{sup 4+} ratio. After extensive studies of candidate materials, lanthanum ferrites (LSF and LSFT) were selected as the favored materials for the oxygen transport membrane (OTM). LSF is a very good material for an OTM because of its high electronic and oxygen ionic conductivity if long term stability and mechanical strength are improved. LSFT not only exhibits p-type behavior in the high oxygen activity regime, but also has n-type conduction in reducing atmospheres. Higher concentrations of oxygen vacancies in the low oxygen activity regime may improve the performance of LSFT as an OTM. The hole concentration is related to the difference in the acceptor and donor concentration by the relation p = [Sr'{sub La}]-[Ti{sm_bullet}{sub Fe}]. The chemical formulation predicts that the hole concentration is, p = 0.8-0.45 or 0.35. Experimental measurements indicated that p is about {approx} 0.35. The activation energy of conduction is 0.2 eV which implies that LSCF conducts via the small polaron conduction mechanism. Scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS) were used to develop strategies to detect and characterize vacancy creation, dopant segregations and defect association in the oxygen conducting membrane material. The pO{sub 2} and temperature dependence of the conductivity, non-stoichiometry and thermal-expansion behavior of compositions with increasing complexity of substitution on the perovskite A and B sites were studied. Studies with the perovskite structure show anomalous behavior at low oxygen partial pressures (<10{sup -5} atm). The anomalies are due to non-equilibrium effects and can be avoided by using very strict criteria for the attainment of equilibrium. The slowness of the oxygen equilibration kinetics arises from two different mechanisms. In the first, a two phase region occurs between an oxygen vacancy ordered phase such as brownmillerite SrFeO{sub 2.5} and perovskite SrFeO{sub 3-x}. The slow kinetics is associated with crossing the two phase region. The width of the miscibility gap decreases with increasing temperature and consequently the effect is less pronounced at higher temperature. The preferred kinetic pathway to reduction of perovskite ferrites when the vacancy concentration corresponds to the formation of significant concentrations of Fe{sup 2+} is via the formation of a Ruddlesden-Popper (RP) phases as clearly observed in the case of La{sub 0.5}Sr{sub 0.5}FeO{sub 3-x} where LaSrFeO{sub 4} is found together with Fe. In more complex compositions, such as LSFTO, iron or iron rich phases are observed locally with no evidence for the presence of discrete RP phase. Fracture strength of tubular perovskite membranes was determined in air and in reducing atmospheric conditions. The strength of the membrane decreased with temperature and severity of reducing conditions although the strength distribution (Weibull parameter, m) was relatively unaltered. Surface and volume dominated the fracture origins and the overall fracture was purely transgranular. The dual phas

  17. Oxygen distribution and vascular injury in the mouse eye measured by phosphorescence-lifetime imaging

    PubMed Central

    Wilson, David F.; Vinogradov, Sergei A.; Grosul, Pavel; Vaccarezza, M. Noel; Kuroki, Akiko; Bennett, Jean

    2009-01-01

    Maps of the oxygen distribution in the retina of the mouse eye were obtained by phosphorescence-lifetime imaging. Phosphor dissolved in the blood was excited by modulated light and phosphorescence imaged through microscope optics with an intensified-CCD camera. Phosphorescence lifetimes and oxygen pressures were calculated for each pixel of the images. The resolution was sufficient to permit the detection of anomalies that result in reduced oxygen pressures in individual retinal capillaries. High-resolution maps of oxygen distribution in the retina can provide greater understanding of the role of oxygen and vascular function in diseases of the eye. PMID:16149347

  18. Oxygen variance and meridional oxygen supply in the Tropical North East Atlantic oxygen minimum zone

    NASA Astrophysics Data System (ADS)

    Hahn, J.; Brandt, P.; Greatbatch, R. J.; Krahmann, G.; Körtzinger, A.

    2014-12-01

    The distribution of the mean oceanic oxygen concentration results from a balance between ventilation and consumption. In the eastern tropical Pacific and Atlantic, this balance creates extended oxygen minimum zones (OMZ) at intermediate depth. Here, we analyze hydrographic and velocity data from shipboard and moored observations, which were taken along the 23°W meridian cutting through the Tropical North East Atlantic (TNEA) OMZ, to study the distribution and generation of oxygen variability. By applying the extended Osborn-Cox model, the respective role of mesoscale stirring and diapycnal mixing in producing enhanced oxygen variability, found at the southern and upper boundary of the OMZ, is quantified. From the well-ventilated equatorial region toward the OMZ core a northward eddy-driven oxygen flux is observed whose divergence corresponds to an oxygen supply of about 2.4 ?mol kg-1 year-1 at the OMZ core depth. Above the OMZ core, mesoscale eddies act to redistribute low- and high-oxygen waters associated with westward and eastward currents, respectively. Here, absolute values of the local oxygen supply >10 ?mol kg-1 year-1 are found, likely balanced by mean zonal advection. Combining our results with recent studies, a refined oxygen budget for the TNEA OMZ is derived. Eddy-driven meridional oxygen supply contributes more than 50 % of the supply required to balance the estimated oxygen consumption. The oxygen tendency in the OMZ, as given by the multidecadal oxygen decline, is maximum slightly above the OMZ core and represents a substantial imbalance of the oxygen budget reaching about 20 % of the magnitude of the eddy-driven oxygen supply.

  19. Prediction of Benthic Impact for Salmon Net-Pens Based on the Balance of Benthic Oxygen Supply and Demand

    Microsoft Academic Search

    R. H. Findlay; Les Watling

    1997-01-01

    The ratio between oxygen supply and oxygen demand was examined as a predictor of benthic response to organic enrichment caused by salmon net-pen aquaculture. Oxygen supply to the benthos was calculated based on Fickian diffusion and near-bottom flow velocities. A strong linear correlation was found between measured carbon sedimentation rates and rates of benthic metabolism. This relationship allowed an estimation

  20. Structural control over equilibrium silicon and oxygen isotopic fractionation: A first-principles density-functional theory study

    Microsoft Academic Search

    Merlin Méheut; Michele Lazzeri; Etienne Balan; Francesco Mauri

    2009-01-01

    Isotopic fractionation factors for oxygen and silicon in selected silicates (quartz, enstatite, forsterite, lizardite, kaolinite) are calculated using first-principles methods based on density-functional theory. Good agreement between theory and experiment is found in the case of oxygen. In the case of silicon, agreement and differences with existing estimates of equilibrium fractionation factors are discussed. The relationship between silicon and oxygen

  1. Strain effects on oxygen migration in perovskites.

    PubMed

    Mayeshiba, Tam; Morgan, Dane

    2015-01-28

    Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. Strain is often proposed as a method to enhance the performance of oxygen transport materials, but the magnitude of its effect and its underlying mechanisms are not well-understood, particularly in the widely-used perovskite-structured oxygen conductors. This work reports on an ab initio prediction of strain effects on migration energetics for nine perovskite systems of the form LaBO3, where B = [Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Ga]. Biaxial strain, as might be easily produced in epitaxial systems, is predicted to lead to approximately linear changes in migration energy. We find that tensile biaxial strain reduces the oxygen vacancy migration barrier across the systems studied by an average of 66 meV per percent strain for a single selected hop, with a low of 36 and a high of 89 meV decrease in migration barrier per percent strain across all systems. The estimated range for the change in migration barrier within each system is ±25 meV per percent strain when considering all hops. These results suggest that strain can significantly impact transport in these materials, e.g., a 2% tensile strain can increase the diffusion coefficient by about three orders of magnitude at 300 K (one order of magnitude at 500 °C or 773 K) for one of the most strain-responsive materials calculated here (LaCrO3). We show that a simple elasticity model, which assumes only dilative or compressive strain in a cubic environment and a fixed migration volume, can qualitatively but not quantitatively model the strain dependence of the migration energy, suggesting that factors not captured by continuum elasticity play a significant role in the strain response. PMID:25503536

  2. Interagency assessment of oxygenated fuels

    SciTech Connect

    NONE

    1997-12-31

    Oxygenates have been used as octane enhancers in gasoline since the late 1970s, due to the phaseout of lead. During the 1980s, oxygenates came in to wider use as some States implemented oxygenated gasoline programs for the control of carbon monoxide (CO) pollution in cold weather. People with coronary artery disease are particularly sensitive to the adverse effects of this air pollutant. The first winter oxygenated gasoline program in the United States was implemented in Denver, Colorado in 1988. The 1990 Clean Air Act Amendments required the use of oxygenated gasoline in several areas of the country that failed to attain the National Ambient Air Quality Standard (NAAQS) for CO. During the winter months of 1992-1993, many new oxygenated gasoline programs were implemented to increase combustion efficiency in cold weather and thereby reduce CO emissions. Methyl tertiary-butyl ether (MTBE) has become the most widely used motor vehicle oxygenate in the U.S., though in some areas, ethanol is the dominant oxygenate used in motor vehicle fuels. Other fuel oxygenates that are in use or may potentially be used include ethyl tertiary-butyl ether (ETBE), tertiary-amyl methyl ether (TAME), diisopropyl ether (DIPE), tertiary-butyl alcohol (TBA), and methanol. Because of limitations in available data, there is less emphasis in this report on these other oxygenates. The Clean Air Act requires at least 2.7% by weight oxygen content for gasoline sold in CO nonattainment areas, and about 15% by volume MTBE or about 7.5% by volume ethanol to achieve this requirement. The purpose of this report is to provide a review of the scientific literature on oxygenated fuels and to assess effects of the winter oxygenated fuels program on air quality, water quality, fuel economy and engine performance, and public health.

  3. ORMOSIL oxygen sensors on polystyrene microplate for dissolved oxygen measurement

    Microsoft Academic Search

    Hei-Leung Pang; Nga-Yan Kwok; Larry Ming-Cheung Chow; Chi-Hung Yeung; Kwok-Yin Wong; Xi Chen; Xiaoru Wang

    2007-01-01

    Oxygen sensors prepared from tetramethyl orthosilicate and dimethoxy dimethylsilane with tris(4,7-diphenyl-1,10-phenanthroline)ruthenium (II) as the sensing dye were coated onto the well bottom surface of a 96-well polystyrene microtiter plate to give a high-throughput system for dissolved oxygen measurement. The oxygen sensors give linear Stern–Volmer calibration plots, and produce reliable and reproducible results in the determination of IC50 values of drugs

  4. Randomised trial of ambulatory oxygen in oxygen-dependent COPD

    Microsoft Academic Search

    Y. Lacasse; R. Lecours; C. Pelletier; F. Maltais

    2005-01-01

    Long-term oxygen therapy may limit a patient's ability to remain active and may be detrimental to the rehabilitation process. This study aimed to determine the effect of ambulatory oxygen on quality of life and exercise capacity in patients with chronic obstructive pulmonary disease fulfilling the usual criteria of long-term oxygen therapy. In a 1-yr, randomised, three-period, crossover trial, 24 patients

  5. Guide for Oxygen Compatibility Assessments on Oxygen Components and Systems

    NASA Technical Reports Server (NTRS)

    Rosales, Keisa R.; Shoffstall, Michael S.; Stoltzfus, Joel M.

    2007-01-01

    Understanding and preventing fire hazards is necessary when designing, maintaining, and operating oxygen systems. Ignition risks can be minimized by controlling heat sources and using materials that will not ignite or will not support burning in the end-use environment. Because certain materials are more susceptible to ignition in oxygen-enriched environments, a compatibility assessment should be performed before the component is introduced into an oxygen system. This document provides an overview of oxygen fire hazards and procedures that are consistent with the latest versions of American Society for Testing and Materials (ASTM) Standards G63 (1999) and G94 (2005) to address fire hazards associated with oxygen systems. This document supersedes the previous edition, NASA Technical Memorandum 104823, Guide for Oxygen Hazards Analyses on Components and Systems (1996). The step-by-step oxygen compatibility assessment method described herein (see Section 4) enables oxygen-system designers, system engineers, and facility managers to determine areas of concern with respect to oxygen compatibility and, ultimately, prevent damage to a system or injury to personnel.

  6. Glovebox oxygen monitoring system

    SciTech Connect

    Haggard, R.

    1993-08-01

    This system is located in the Replacement Tritium Facility (RTF) at the Savannah River Site of the US Department of Energy. The basic system consists of an oxygen sensor module located inside the glovebox and a wall mounted panel located outside the glovebox that contains an electronics package that displays the oxygen level, displays alarms, and sends signals to a facility Distributed Control System (DCS). RTF is a new facility that will be used primarily to load and unload tritium reservoirs, and recycle the tritium for use in existing or new reservoirs. Tritium, an oderless, colorless, gas is a radioactive isotope of hydrogen that is used in modern thermonuclear weapons. Once on-line, RTF will replace other tritium facilities that have been in existence since the 1950`s. Since the entire process at RTF is contained in nitrogen blanketed gloveboxes and features have been provided to recapture fugitive tritium, environmental releases and worker exposure to tritium will be reduced compared to the old facilities.

  7. Oxygen-Methane Thruster

    NASA Technical Reports Server (NTRS)

    Pickens, Tim

    2012-01-01

    An oxygen-methane thruster was conceived with integrated igniter/injector capable of nominal operation on either gaseous or liquid propellants. The thruster was designed to develop 100 lbf (approximately 445 N) thrust at vacuum conditions and use oxygen and methane as propellants. This continued development included refining the design of the thruster to minimize part count and manufacturing difficulties/cost, refining the modeling tools and capabilities that support system design and analysis, demonstrating the performance of the igniter and full thruster assembly with both gaseous and liquid propellants, and acquiring data from this testing in order to verify the design and operational parameters of the thruster. Thruster testing was conducted with gaseous propellants used for the igniter and thruster. The thruster was demonstrated to work with all types of propellant conditions, and provided the desired performance. Both the thruster and igniter were tested, as well as gaseous propellants, and found to provide the desired performance using the various propellant conditions. The engine also served as an injector testbed for MSFC-designed refractory combustion chambers made of rhenium.

  8. Phase Behavior of Oxygen-Containing Polymers in CO2

    SciTech Connect

    Killic, Sevgi; Michalik, Stephen; Wang, Yang; Johnson, J.K.; Enick, R.M.; Beckman, E.J.

    2007-02-20

    The cloud point curves of a series of oxygen-containing polymers in CO2 were measured to attempt to deduce the effect of oxygen functional groups within a polymer on the polymer/CO2 phase behavior. The addition of an ether oxygen to a hydrocarbon polymer, either in the backbone or the side chain, enhances "CO2-philicity" by providing sites for specific interactions with CO2 as well as by enhancing the entropy of mixing by creating more flexible chains with higher free volume. Ab initio calculations show that both ether and ester oxygens provide very attractive interaction sites for CO2 molecules. The binding energy for an isolated ether oxygen with CO2 is larger in magnitude than that for a carbonyl oxygen/CO2 complex. However, acetate functionalized polymers are more CO2-soluble than polymers with only ether functionalities-possibly because acetate functional groups contain a total of three binding modes for CO2 interactions, compared with only one for the ether functional group. Experiments clearly indicate that adding a single methylene group as a spacer between a polymer backbone and either an ether or acetate group exhibits a strong deleterious effect on phase behavior. This effect cannot be explained from our ab initio calculations.

  9. High Selectivity Oxygen Delignification

    SciTech Connect

    Arthur J. Ragauskas

    2005-09-30

    The overall objective of this program was to develop improved extended oxygen delignification (EOD) technologies for current U.S. pulp mill operations. This was accomplished by: (1) Identifying pulping conditions that optimize O and OO performance; (2) Identifying structural features of lignin that enhance reactivity towards EOD of high kappa pulps; (3) Identifying factors minimizing carbohydrate degradation and improve pulp strength of EOD high kappa pulps; (4) Developing a simple, reproducible method of quantifying yield gains from EOD; and (5) Developing process conditions that significantly reduce the capital requirements of EOD while optimizing the yield benefits. Key research outcomes included, demonstrating the use of a mini-O sequence such as (E+O)Dkf:0.05(E+O) or Dkf:0.05(E+O)(E+O) without interstage washing could capture approximately 60% of the delignification efficiency of a conventional O-stage without the major capital requirements associated with an O-stage for conventional SW kraft pulps. The rate of formation and loss of fiber charge during an O-stage stage can be employed to maximize net fiber charge. Optimal fiber charge development and delignification are two independent parameters and do not parallel each other. It is possible to utilize an O-stage to enhance overall cellulosic fiber charge of low and high kappa SW kraft pulps which is beneficial for physical strength properties. The application of NIR and multi-variant analysis was developed into a rapid and simple method of determining the yield of pulp from an oxygen delignification stage that has real-world mill applications. A focus point of this program was the demonstration that Kraft pulping conditions and oxygen delignification of high and low-kappa SW and HW pulps are intimately related. Improved physical pulp properties and yield can be delivered by controlling the H-factor and active alkali charge. Low AA softwood kraft pulp with a kappa number 30 has an average improvement of 2% in yield and 4 cP in viscosity in comparison to high AA pulp for the oxygen delignification. This difference is also seen for high-kappa SW kraft pulps with an average improvement of {approx}3% in yield and 3 cP in viscosity for low AA high kappa number 50 pulp. Low AA hardwood kappa number 20 pulp had an average improvement of {approx}4% in yield and 6-12 cP in viscosity as compared to high AA pulp. Lower kraft cooking temperature (160 vs. 170 C) in combination with the medium AA provides a practical approach for integrating high kappa pulping of hardwoods (i.e., low rejects) with an advanced extended oxygen delignification stage. ECF pulp bleaching of low and high kappa kraft SW and HW pulps exhibit comparable optical and physical strength properties when bleached D(EPO)D.

  10. Oxygen Transport in Waterlogged Plants

    Microsoft Academic Search

    Lars H. Wegner

    \\u000a In flooded soils, roots are exposed to a reducing environment with low oxygen availability. In order to supply roots with\\u000a sufficient oxygen for respiration, most wetland plants form extended gas-filled cavities known as aerenchyma (in the root)\\u000a or lacunae (in the shoot). Oxygen transport can be either diffusive or convective; according to general belief, the latter\\u000a is restricted to the

  11. Oxygen-reducing catalyst layer

    DOEpatents

    O'Brien, Dennis P. (Maplewood, MN); Schmoeckel, Alison K. (Stillwater, MN); Vernstrom, George D. (Cottage Grove, MN); Atanasoski, Radoslav (Edina, MN); Wood, Thomas E. (Stillwater, MN); Yang, Ruizhi (Halifax, CA); Easton, E. Bradley (Halifax, CA); Dahn, Jeffrey R. (Hubley, CA); O'Neill, David G. (Lake Elmo, MN)

    2011-03-22

    An oxygen-reducing catalyst layer, and a method of making the oxygen-reducing catalyst layer, where the oxygen-reducing catalyst layer includes a catalytic material film disposed on a substrate with the use of physical vapor deposition and thermal treatment. The catalytic material film includes a transition metal that is substantially free of platinum. At least one of the physical vapor deposition and the thermal treatment is performed in a processing environment comprising a nitrogen-containing gas.

  12. Lithium adsorption on hot oxygen covered tungsten surfaces

    NASA Astrophysics Data System (ADS)

    Zegenhagen, J.; Ulbricht, J.; Beckmann, R.; Holm, U.

    1981-09-01

    The mean residence times ? of lithium particles on oxygen covered tungsten surfaces were measured accurately over a wide temperature range (1200 < T < 1900 K) by the beam modulation technique with a lock-in analyzer. A predominant monocrystalline W(100) structure was obtained by recrystallization of a polycrystalline tungsten ribbon. The residence time was determined as a function of the oxygen coverage ? and the temperature T of the surface. The desorption energy l and the preexponential factor ? 0, calculated from the Arrhenius equation, are not only dependent on the amount of adsorbed oxygen but also on the oxygen structure. Apparently the desorption parameters l and ? 0 are correlated. An increasing desorption energy l is connected to a decreasing "vibration period" ? 0 whereby the influence on the residence time is partly compensated.

  13. Two photon excitation of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Pindzola, M. S.

    1977-01-01

    A standard perturbation expansion in the atom-radiation field interaction is used to calculate the two photon excitation cross section for 1s(2) 2s(2) 2p(4) p3 to 1s(2) 2s(2) 2p(3) (s4) 3p p3 transition in atomic oxygen. The summation over bound and continuum intermediate states is handled by solving the equivalent inhomogeneous differential equation. Exact summation results differ by a factor of 2 from a rough estimate obtained by limiting the intermediate state summation to one bound state. Higher order electron correlation effects are also examined.

  14. Two-photon excitation of atomic oxygen

    NASA Technical Reports Server (NTRS)

    Pindzola, M. S.

    1978-01-01

    A standard perturbation expansion in the atom-radiation-field interaction is used to calculate the two-photon excitation cross section for the 1s2 2s2 2p4 3p to 1s2 2s2 3(4S)3p 3P transition in atomic oxygen. The lowest-order summation over bound and continuum intermediate states is handled by solving the equivalent inhomogeneous differential equation. Higher-order electron-correlation effects are also examined.

  15. Issues of oxygen excess in the crust and upper mantle lithosphere

    NASA Astrophysics Data System (ADS)

    Balashov, Y. A.; Martynov, E. V.

    2012-04-01

    Application of a new geochemical buffer, 'CeB' - Ce+4/Ce+3 for zircons, is promising for oxygen fugacity (FO2) estimation in crust and mantle. Absence of Ce+4 and Eu+2-enriched zircons are typical of the lower lithosphere. Reducing setting dominate in mantle rocks. Subduction adds oxidized substance for lithosphere into deeper mantle (Balashov ea, 2011-2012). The zircons in upper lithosphere are oxidized. Peridotites minerals show increased H2O and OH- preserves to 150-160 km at ?FMQ -1.4 - -0.1 (Babushkina et al, 2009) comparable with CeB 2.2 - 3.9. Increasing oceanic mass in the geological time controls water efflux and oxidation of upper the lithosphere. Oxygen source in crust and upper mantle is the most important, yet outstanding issues in geochemistry of Earth's upper shells. Oxygen excess in atmosphere correlating with long-term emergence and evolution of Earth's biosphere is an approach reflected in the schemes of cycle- and phase-wise biosphere evolution (Dobretsov et al, 2006; Sorokhtin et al, 2010). The both schemes demonstrate ideas for oxygen evolution of atmosphere, but are not confirmed by geochronology. Applying these outlines an actual picture FO2 evolution. Precambrian granitoids, detrital zircons and upper mantle lithosphere have similar CeB. The initial data include Australian Hadean and Archaean detrital zircons (Peck et al, 2001), CeB: 27.1 -1.96, and Eu+2/Eu+3: 0.015-0.12 (Balashov, Skublov, 2011). Greenland tonalities (3813 Ma) and granodiorite (3638 Ma) (Whitehouse, Kamber, 2002) CeB: 34 - 0.5. In oldest crust rocks dominated zircons with generation under high and heterogeneous FO2. Zircons in younger mantle-crustal rocks of S. American subduction zones (Ballard et al, 2002; Hoskin et al, 2000, etc.) show the same. Upper mantle lithosphere and crust represent continuously interacted with oxygen. If Progressively oxygen increase from Hadean to modern state (Dobretsov ea, 2006; Sorokhtin ea, 2010), contradicts with actual Archaean data. We believe in correlation of biosphere evolution with cyclic mantle and crustal magma activation (Balashov, Glaznev, 2006) reflecting variation of atmospheric volatiles. This corresponds to abrupt sulphur excess due to volcanogenic activation at the peak of the evolution fatally affected the biosphere state. However, volcanogenic epochs are relatively short-term not to contradict the synthesis of oxygen by the biosphere between them. This should ultimately result in significant oxygen heterogeneity in various rock types. Existence of a wide range of Ce+4/Ce+3 in all the surface systems of the Earth, and upper sequence of the mantle lithosphere is related to constant existence of exactly this heterogeneity. Alongside, various types of geological processes in the crust and mantle should have influence, or even define variation stages in the evolution of the biosphere itself. And, this has already been noted. Another constant oxygen source along the whole interval of the Earth's history should be considered solar wind. The continuous flow of the whole range of elements, which portion in the discharge of H, C, O, and other elements to the atmosphere in a proportion close to the composition of 1 (Anders, Grevesse, 1989), may be regarded as a quite competitive option with other sources of oxygen at the Earth's surface.

  16. Ambulatory oxygen uptake measurement system.

    PubMed

    Tamura, T; Sato, K; Togawa, T

    1992-12-01

    An apparatus for monitoring prolonged measurement of oxygen uptake without discomfort has been developed. The system is based on the open flow-through principle. The subject wears a hood through which air is drawn by an exhaust blower. Oxygen concentration is kept constant by a servo-controlled blower, so that flow rate is essentially proportional to oxygen uptake. The flow rate of the main stream is measured by a time-of-flight flowmeter located in the exhaust hose. Oxygen concentration is measured by a limiting-current oxygen sensor. The signals representing flow rate and oxygen concentration are digitized and stored in a memory. All of the equipment is assembled in a small package (wt = 3 kg) which the subject carries on his back. The memory chip is removed from the portable device after each experiment. Data are transferred from the memory to a microcomputer and then an oxygen uptake trend is estimated. Response of the system to a step input is about 30 s. Compared with a commercially available oxygen monitoring system (Magna 88, P. K. Morgan Ltd., Rainham, UK), the maximum difference was 0.15 L/min within an oxygen uptake range of 0.25-2.3 L/min. Thus, the measurements made with our portable device agree with the results obtained using the conventional method. PMID:1487290

  17. Hot oxygen corona of Mars

    SciTech Connect

    Ip, W.H.

    1988-10-01

    Electron dissociative recombination of O2(+) ions in the Venus ionosphere, which may be an important source of suprathermal atomic oxygen, is presently considered as a factor in the Mars exosphere; due to the weaker surface gravitational attraction of Mars, a hot oxygen corona thus formed would be denser than that of Venus at altitudes greater than 2000 km despite Mars' lower ionospheric content. If such an extended oxygen corona does exist on Mars, its collisional interaction with Phobos would lead to the formation of an oxygen gas torus whose average number density is of the order of only 1-2/cu cm along the Phobos orbit. 51 references.

  18. LDEF atomic oxygen fluence update

    NASA Technical Reports Server (NTRS)

    Bourassa, Roger J.; Gillis, J. R.

    1992-01-01

    The definition of LDEF atomic oxygen exposure involves theoretical prediction of fluxes, modeling of shielding and scattering effects, and comparison of predicted with observed atomic oxygen effects on LDEF experiments. Work is proceeding as follows: atomic oxygen fluxes and fluences have been recalculated using a more detailed orbit prediction program; a micro-environments program is being developed to account for the effects of experiment geometry on atomic oxygen flux; and chemical and physical measurements are being made on copper grounding straps to verify correspondence between predicted exposures and observed surface property variations. These three areas of work are reported briefly.

  19. Clinical oxygen enhancement ratio of tumors in carbon ion radiotherapy: the influence of local oxygenation changes.

    PubMed

    Antonovic, Laura; Lindblom, Emely; Dasu, Alexandru; Bassler, Niels; Furusawa, Yoshiya; Toma-Dasu, Iuliana

    2014-09-01

    The effect of carbon ion radiotherapy on hypoxic tumors has recently been questioned because of low linear energy transfer (LET) values in the spread-out Bragg peak (SOBP). The aim of this study was to investigate the role of hypoxia and local oxygenation changes (LOCs) in fractionated carbon ion radiotherapy. Three-dimensional tumors with hypoxic subvolumes were simulated assuming interfraction LOCs. Different fractionations were applied using a clinically relevant treatment plan with a known LET distribution. The surviving fraction was calculated, taking oxygen tension, dose and LET into account, using the repairable-conditionally repairable (RCR) damage model with parameters for human salivary gland tumor cells. The clinical oxygen enhancement ratio (OER) was defined as the ratio of doses required for a tumor control probability of 50% for hypoxic and well-oxygenated tumors. The resulting OER was well above unity for all fractionations. For the hypoxic tumor, the tumor control probability was considerably higher if LOCs were assumed, rather than static oxygenation. The beneficial effect of LOCs increased with the number of fractions. However, for very low fraction doses, the improvement related to LOCs did not compensate for the increase in total dose required for tumor control. In conclusion, our results suggest that hypoxia can influence the outcome of carbon ion radiotherapy because of the non-negligible oxygen effect at the low LETs in the SOBP. However, if LOCs occur, a relatively high level of tumor control probability is achievable with a large range of fractionation schedules for tumors with hypoxic subvolumes, but both hyperfractionation and hypofractionation should be pursued with caution. PMID:24728013

  20. Pool octanes via oxygenates

    SciTech Connect

    Prezelj, M.

    1987-09-01

    Increasingly stringent antipollution regulations placed on automobile exhaust gases with consequent reduction or complete lead ban from motor gasoline result in octane shortage at many manufacturing sites. Attractive solutions to this problem, especially in conjunction with abundant methanol supplies, are the hydration and etherification of olefins contained in light product streams from cracking unit or produced by field gas dehydrogenation. A comparison is made between oxygenates octane-volume pool contributions and established refinery technologies. Process reviews for bulk manufacture of fuel-grade isopropanol (IPA), secondary butanol (SBA), tertiary butanol (TBA), methyl tertiary butyl ether (MTBE) and tertiary amyl methyl ether (TAME) are presented together with the characteristic investment and operating data. The implantation of these processes into a typical FCCU refinery complex with the resulting octane-pool improvement possibilities is descried.

  1. Oxygenates from synthesis gas

    SciTech Connect

    Falter, W.; Keim, W. [Institute fur Technische Chemie, Aschen (Germany)

    1994-12-31

    The direct synthesis of oxygenates starting from synthesis gas is feasible by homogeneous and heterogeneous catalysis. Homogeneous Rh and Ru based catalysts yielding methyl formate and alcohols will be presented. Interestingly, modified heterogeneous catalysts based on {open_quotes}Isobutyl Oel{close_quotes} catalysis, practized in Germany (BRD) up to 1952 and in the former DDR until recently, yield isobutanol in addition to methanol. These {open_quotes}Isobutyl Oel{close_quotes} catalysts are obtained by adding a base such as Li < Na < K < Cs to a Zn-Cr{sub 2}O{sub 3} methanol catalyst. Isobutanol is obtained in up to 15% yield. Our best catalyst a Zr-Zn-Mn-Li-Pd catalyst produced isobotanol up to 60% at a rate of 740g isobutanol per liter catalyst and hour.

  2. Oxygen diffusion barrier coating

    NASA Technical Reports Server (NTRS)

    Unnam, Jalaiah (inventor); Clark, Ronald K. (inventor)

    1987-01-01

    A method for coating a titanium panel or foil with aluminum and amorphous silicon to provide an oxygen barrier abrogating oxidation of the substrate metal is developed. The process is accomplished with known inexpensive procedures common in materials research laboratories, i.e., electron beam deposition and sputtering. The procedures are conductive to treating foil gage titanium and result in submicron layers which virtually add no weight to the titanium. There are no costly heating steps. The coatings blend with the substrate titanium until separate mechanical properties are subsumed by those of the substrate without cracking or spallation. This method appreciably increases the ability of titanium to mechanically perform in high thermal environments such as those witnessed on structures of space vehicles during re-entry

  3. Tissue oxygen measurement system

    NASA Technical Reports Server (NTRS)

    Soller, Babs R. (Inventor)

    2004-01-01

    A device and method in accordance with the invention for determining the oxygen partial pressure (PO.sub.2) of a tissue by irradiating the tissue with optical radiation such that the light is emitted from the tissue, and by collecting the reflected or transmitted light from the tissue to form an optical spectrum. A spectral processor determines the PO.sub.2 level in tissue by processing this spectrum with a previously-constructed spectral calibration model. The tissue may, for example, be disposed underneath a covering tissue, such as skin, of a patient, and the tissue illuminated and light collected through the skin. Alternatively, direct tissue illumination and collection may be effected with a hand-held or endoscopic probe. A preferred system also determines pH from the same spectrum, and the processor may determine critical conditions and issue warnings based on parameter values.

  4. Processes controlling mid-water column oxygen minima over the Texas-Louisiana shelf

    NASA Astrophysics Data System (ADS)

    Zhang, Wenxia; Hetland, Robert D.; DiMarco, Steven F.; Fennel, Katja

    2015-04-01

    We investigate distributions of dissolved oxygen over the Texas-Louisiana shelf using spatially highly resolved observations in combination with a regional circulation model with simple oxygen dynamics. The observations were collected using a towed, undulating CTD during the Mechanisms Controlling Hypoxia (MCH) program. Mid-water oxygen minimum layers (dissolved oxygen lower than 3.2 mL L-1) were detected in many transects. These oxygen minimum layers are connected with the bottom boundary layer and follow the pycnocline seaward as a tongue of low oxygen into the mid-water column. T-S diagrams highlighting the low oxygen minima in both observations and simulations imply direct connections between low-oxygen bottom water and the oxygen minimum layer. The dynamics of these oxygen minimum layers in the mid-water column are examined using a three-dimensional hydrodynamic model, based on the Regional Ocean Modeling System (ROMS). Convergence within the bottom boundary layer relative to density surfaces is calculated, results show that there is a convergence in the bottom boundary layer at the location where the pycnocline intersects the bottom. Buoyancy advection forced by bottom Ekman transport creates this convergent flow, and the corresponding low-oxygen intrusion. Similar intrusions of near-bottom water into the pycnocline are observed in other regions. The presence of hypoxia within the bottom boundary layer in the northern Gulf of Mexico creates a unique situation in which these intrusions are also associated with low dissolved oxygen.

  5. Spin-state-dependent oxygen sensitivity of iron dithiolates: sulfur oxygenation or disulfide formation.

    PubMed

    O'Toole, Martin G; Kreso, Majda; Kozlowski, Pawel M; Mashuta, Mark S; Grapperhaus, Craig A

    2008-11-01

    The oxygen sensitivity of two related iron(III) dithiolate complexes of the ligand [4,7-bis-(2'-methyl-2'-mercatopropyl)-1-thia-4,7-diazacyclononane], (bmmp-TASN)FeCN (1) and (bmmp-TASN)FeCl (2), has been examined. Oxygen exposure of the low-spin complex 1 yields the disulfonate complex (bmmp-O6-TASN)FeCN (3) as an olive-green solid with characteristic peaks in the IR spectrum at 1262, 1221, 1111, 1021, 947, 800, and 477 cm(-1). The corresponding nickel dithiolate, (bmmp-TASN)Ni (4), yields the related disulfonato derivative, (bmmp-O6-TASN)Ni (5) upon addition of H2O2 (IR bands at 1258, 1143, 1106, 1012, 800, and 694 cm(-1). Oxygen exposure of the high-spin complex 2 results in disulfide formation and decomplexation of the metal with subsequent iron-oxo cluster formation. Complexes 1 and 2 were examined using density functional theory calculations. A natural bond order/natural localized molecular orbital covalency analysis reveals that the low-spin complex 1 contains Fe-Sthiolate bonds with calculated covalencies of 75 and 86%, while the high-spin complex 2 contains Fe-Sthiolate bonds with calculated covalencies of 11 and 40%. The results indicate the degree of covalency of the Fe-S bonds plays a major role in determining the reaction pathway associated with oxygen exposure of iron thiolates. The X-ray structures of 1, 4, and 5 are reported. PMID:18633652

  6. Singlet oxygen dosimetry modeling for photodynamic therapy

    NASA Astrophysics Data System (ADS)

    Liang, Xing; Wang, Ken Kang-hsin; Zhu, Timothy C.

    2012-02-01

    Photodynamic therapy (PDT) is an important treatment modality for cancer and other localized diseases. In addition to PDT dose, singlet oxygen (1O2) concentration is used as an explicit PDT dosimetry quantity, because 1O2 is the major cytotoxic agent in photodynamic therapy, and the reaction between 1O2 and tumor tissues/cells determines the treatment efficacy. 1O2 concentration can be obtained by the PDT model, which includes diffusion equation for the light transport in tissue and macroscopic kinetic equations for the generation of the singlet oxygen. This model was implemented using finite-element method (FEM) by COMSOL. In the kinetic equations, 5 photo-physiological parameters were determined explicitly to predict the generation of 1O2. The singlet oxygen concentration profile was calculated iteratively by comparing the model with the measurements based on mice experiments, to obtain the apparent reacted 1O2concentration as an explicit PDT dosimetry quantity. Two photosensitizers including Photofrin and BPD Verteporfin, were tested using this model to determine their photo-physiological parameters and the reacted 1O2 concentrations.

  7. The role of oxygen and water on molybdenum nanoclusters for electro catalytic ammonia production

    PubMed Central

    Howalt, Jakob G

    2014-01-01

    Summary The presence of water often gives rise to oxygen adsorption on catalyst surfaces through decomposition of water and the adsorbed oxygen or hydroxide species often occupy important surfaces sites, resulting in a decrease or a total hindrance of other chemical reactions taking place at that site. In this study, we present theoretical investigations of the influence of oxygen adsorption and reduction on pure and nitrogen covered molybdenum nanocluster electro catalysts for electrochemical reduction of N2 to NH3 with the purpose of understanding oxygen and water poisoning of the catalyst. Density functional theory calculations are used in combination with the computational hydrogen electrode approach to calculate the free energy profile for electrochemical protonation of O and N2 species on cuboctahedral Mo13 nanoclusters. The calculations show that the molybdenum nanocluster will preferentially bind oxygen over nitrogen and hydrogen at neutral bias, but under electrochemical reaction conditions needed for nitrogen reduction, oxygen adsorption is severely weakened and the adsorption energy is comparable to hydrogen and nitrogen adsorption. The potentials required to reduce oxygen off the surface are ?0.72 V or lower for all oxygen coverages studied, and it is thus possible to (re)activate (partially) oxidized nanoclusters for electrochemical ammonia production, e.g., using a dry proton conductor or an aqueous electrolyte. At lower oxygen coverages, nitrogen molecules can adsorb to the surface and electrochemical ammonia production via the associative mechanism is possible at potentials as low as ?0.45 V to ?0.7 V. PMID:24605277

  8. The role of oxygen and water on molybdenum nanoclusters for electro catalytic ammonia production.

    PubMed

    Howalt, Jakob G; Vegge, Tejs

    2014-01-01

    The presence of water often gives rise to oxygen adsorption on catalyst surfaces through decomposition of water and the adsorbed oxygen or hydroxide species often occupy important surfaces sites, resulting in a decrease or a total hindrance of other chemical reactions taking place at that site. In this study, we present theoretical investigations of the influence of oxygen adsorption and reduction on pure and nitrogen covered molybdenum nanocluster electro catalysts for electrochemical reduction of N2 to NH3 with the purpose of understanding oxygen and water poisoning of the catalyst. Density functional theory calculations are used in combination with the computational hydrogen electrode approach to calculate the free energy profile for electrochemical protonation of O and N2 species on cuboctahedral Mo13 nanoclusters. The calculations show that the molybdenum nanocluster will preferentially bind oxygen over nitrogen and hydrogen at neutral bias, but under electrochemical reaction conditions needed for nitrogen reduction, oxygen adsorption is severely weakened and the adsorption energy is comparable to hydrogen and nitrogen adsorption. The potentials required to reduce oxygen off the surface are -0.72 V or lower for all oxygen coverages studied, and it is thus possible to (re)activate (partially) oxidized nanoclusters for electrochemical ammonia production, e.g., using a dry proton conductor or an aqueous electrolyte. At lower oxygen coverages, nitrogen molecules can adsorb to the surface and electrochemical ammonia production via the associative mechanism is possible at potentials as low as -0.45 V to -0.7 V. PMID:24605277

  9. Novel Membranes and Processes for Oxygen Enrichment

    SciTech Connect

    Lin, Haiqing

    2011-11-15

    The overall goal of this project is to develop a membrane process that produces air containing 25-35% oxygen, at a cost of $25-40/ton of equivalent pure oxygen (EPO2). Oxygen-enriched air at such a low cost will allow existing air-fueled furnaces to be converted economically to oxygen-enriched furnaces, which in turn will improve the economic and energy efficiency of combustion processes significantly, and reduce the cost of CO{sub 2} capture and sequestration from flue gases throughout the U.S. manufacturing industries. During the 12-month Concept Definition project: We identified a series of perfluoropolymers (PFPs) with promising oxygen/nitrogen separation properties, which were successfully made into thin film composite membranes. The membranes showed oxygen permeance as high as 1,200 gpu and oxygen/nitrogen selectivity of 3.0, and the permeance and selectivity were stable over the time period tested (60 days). We successfully scaled up the production of high-flux PFP-based membranes, using MTR's commercial coaters. Two bench-scale spiral-wound modules with countercurrent designs were made and parametric tests were performed to understand the effect of feed flow rate and pressure, permeate pressure and sweep flow rate on the membrane module separation properties. At various operating conditions that modeled potential industrial operating conditions, the module separation properties were similar to the pure-gas separation properties in the membrane stamps. We also identified and synthesized new polymers [including polymers of intrinsic microporosity (PIMs) and polyimides] with higher oxygen/nitrogen selectivity (3.5-5.0) than the PFPs, and made these polymers into thin film composite membranes. However, these membranes were susceptible to severe aging; pure-gas permeance decreased nearly six-fold within two weeks, making them impractical for industrial applications of oxygen enrichment. We tested the effect of oxygen-enriched air on NO{sub x} emissions using a Bloom baffle burner at GTI. The results are positive and confirm that oxygen-enriched combustion can be carried out without producing higher levels of NOx than normal air firing, if lancing of combustion air is used and the excess air levels are controlled. A simple economic study shows that the membrane processes can produce O{sub 2} at less than $40/ton EPO{sub 2} and an energy cost of 1.1-1.5 MMBtu/ton EPO{sub 2}, which are very favorable compared with conventional technologies such as cryogenics and vacuum pressure swing adsorption processes. The benefits of integrated membrane processes/combustion process trains have been evaluated, and show good savings in process costs and energy consumption, as well as reduced CO{sub 2} emissions. For example, if air containing 30% oxygen is used in natural gas furnaces, the net natural gas savings are an estimated 18% at a burner temperature of 2,500 F, and 32% at a burner temperature of 3,000 F. With a 20% market penetration of membrane-based oxygen-enriched combustion in all combustion processes by 2020, the energy savings would be 414-736 TBtu/y in the U.S. The comparable net cost savings are estimated at $1.2-2.1 billion per year by 2020, calculated as the value of fuel savings subtracted from the cost of oxygen production. The fuel savings of 18%-32% by the membrane/oxygen-enriched combustion corresponds to an 18%-32% reduction in CO{sub 2} emissions, or 23-40 MM ton/y less CO{sub 2} from natural gas-fired furnaces by 2020. In summary, results from this project (Concept Definition phase) are highly promising and clearly demonstrate that membrane processes can produce oxygen-enriched air in a low cost manner that will lower operating costs and energy consumption in industrial combustion processes. Future work will focus on proof-of-concept bench-scale demonstration in the laboratory.

  10. STRAIN-DEPENDENT OXYGEN DIFFUSIVITY IN BOVINE ANNULUS FIBROSUS

    PubMed Central

    Yuan, T-Y; Jackson, AR; Huang, C-Y; Gu, W Y

    2009-01-01

    Background The intervertebral disc (IVD) is the largest avascular structure in human body. Transport of small molecules in IVD is mainly through diffusion from the endplates and the peripheral blood vessels surrounding IVD. Studies have investigated the structure, chemical components and water content in IVD, but to our knowledge no study has investigated the effect of mechanical loading on oxygen transport in IVD. The objective of this study was to determine the stain-dependent behavior of oxygen diffusivity in IVD tissue. Method of Approach A one-dimensional steady-state diffusion experiment was designed and performed to determine the oxygen diffusivity in bovine annulus fibrosus (AF). The oxygen diffusivity was calculated using equation derived from Fick’s law. A total of 20 AF specimens (d=6 mm, h~0.5 mm) from bovine coccygeal IVD were used to determine oxygen diffusivity at three levels of compressive strain. Results The average oxygen diffusivity (mean ± SD) of bovine AF in the axial direction was 1.43 ± 0.242×10?5 cm2/s (n=20) at 4.68 ± 1.67% compressive strain level, 1.05 ± 0.282×10?5 cm2/s (n=20) at 14.2 ± 1.50% strain level, and 7.71 ± 1.63×10?6 cm2/s (n=20) at 23.7±1.34% strain level. There was a significant decrease in oxygen diffusivity with increasing level of compressive strain (ANOVA, p<0.05). Conclusions Oxygen diffusivity of bovine AF in the axial direction has been determined. The mechanical loading has a significant effect on oxygen transport in IVD tissues. This study is important in understanding nutritional transport in IVD tissues and related disc degeneration. PMID:19640139

  11. Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite

    Microsoft Academic Search

    Claude Ederer; Nicola A. Spaldin

    2005-01-01

    The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO3 , are investigated using first principles density functional theory calculations. The electric polarization is found to be rather independent of strain, in striking contrast to most conventional perovskite ferroelectrics. It is also not significantly affected by oxygen

  12. Protection by Isoprene against Singlet Oxygen in Leaves Hagit P. Affek and Dan Yakir*

    E-print Network

    Protection by Isoprene against Singlet Oxygen in Leaves Hagit P. Affek and Dan Yakir* Department-methyl-1,3-butadiene) protection against effects of singlet oxygen was investigated in Myrtus communis to an increase in calculated internal isoprene concentrations. The isoprene protection effect was directly

  13. Current status of ab initio quantum chemistry study for oxygen electroreduction on fuel cell catalysts

    Microsoft Academic Search

    Zheng Shi; Jiujun Zhang; Zhong-Sheng Liu; Haijiang Wang; David P. Wilkinson

    2006-01-01

    Recent progress in the ab initio quantum chemistry study of cathode oxygen reduction on fuel cell catalysts is reviewed with emphasis on density functional theory and ab initio molecular dynamics methods. The capabilities of these methods are illustrated using examples of oxygen adsorption on transition metals and alloys, and the reduction mechanism. Ab initio studies can calculate adsorption geometry, energy,

  14. Robust optode-based method for measuring in situ oxygen profiles in gravelly streambeds.

    PubMed

    Vieweg, Michael; Trauth, Nico; Fleckenstein, Jan H; Schmidt, Christian

    2013-09-01

    One of the key environmental conditions controlling biogeochemical reactions in aquatic sediments like streambeds is the distribution of dissolved oxygen. We present a novel approach for the in situ measurement of vertical oxygen profiles using a planar luminescence-based optical sensor. The instrument consists of a transparent acrylic tube with the oxygen-sensitive layer mounted on the outside. The luminescence is excited and detected by a moveable piston inside the acrylic tube. Since no moving parts are in contact with the streambed, the disturbance of the subsurface flow field is minimized. The precision of the distributed oxygen sensor (DOS) was assessed by a comparison with spot optodes. Although the precision of the DOS, expressed as standard deviation of calculated oxygen air saturation, is lower (0.2-6.2%) compared to spot optodes (<0.1-0.6%), variations of the oxygen content along the profile can be resolved. The uncertainty of the calculated oxygen is assessed with a Monte Carlo uncertainty assessment. The obtained vertical oxygen profiles of 40 cm in length reveal variations of the oxygen content reaching from 90% to 0% air saturation and are characterized by patches of low oxygen rather than a continuous decrease with depth. PMID:23889085

  15. The Biology of Oxygen Radicals

    Microsoft Academic Search

    Irwin Fridovich

    1978-01-01

    The reactive superoxide radical, O2{}-, formerly of concern only to radiation chemists and radiobiologists, is now understood to be a normal product of the biological reduction of molecular oxygen. An unusual family of enzymes, the superoxide dismutases, protect against the deleterious actions of this radical by catalyzing its dismutation to hydrogen peroxide plus oxygen.

  16. How to Measure Dissolved Oxygen

    NSDL National Science Digital Library

    Washington State University Department of Ecology

    This web page, hosted by the Washington State Department of Ecology, offers a general overview of dissolved oxygen and how it is measured. It includes protocols for measuring dissolved oxygen in turbulent waters as well as using the Winkler titration method. The site also features links to measuring other water quality parameters such as pH, nutrients, and turbidity.

  17. Phase fluorometric dissolved oxygen sensor

    Microsoft Academic Search

    C. McDonagh; C. Kolle; A. K. McEvoy; D. L. Dowling; A. A. Cafolla; S. J. Cullen; B. D. MacCraith

    2001-01-01

    The design and performance of a ruggedised dissolved oxygen (DO) probe, which is based on phase fluorometric detection of the quenched fluorescence of an oxygen-sensitive ruthenium complex, is reported. The complex is entrapped in a porous hydrophobic sol–gel matrix that has been optimised for this application. The LED excitation and photodiode detection are employed in a dipstick probe configuration, with

  18. Mars oxygen production system design

    NASA Technical Reports Server (NTRS)

    Cotton, Charles E.; Pillow, Linda K.; Perkinson, Robert C.; Brownlie, R. P.; Chwalowski, P.; Carmona, M. F.; Coopersmith, J. P.; Goff, J. C.; Harvey, L. L.; Kovacs, L. A.

    1989-01-01

    The design and construction phase is summarized of the Mars oxygen demonstration project. The basic hardware required to produce oxygen from simulated Mars atmosphere was assembled and tested. Some design problems still remain with the sample collection and storage system. In addition, design and development of computer compatible data acquisition and control instrumentation is ongoing.

  19. Retinal oxygenation response and retinopathy

    Microsoft Academic Search

    Gary L. Trick; Bruce A. Berkowitz

    2005-01-01

    Oxygen supply and demand of the retina, one of the most metabolically active tissues in the body, must be dynamically balanced to insure the health of the tissue. The integrity of such active regulation can be assessed by measuring retinal oxygenation response (ROR) to a hyperoxic provocation. Over the last decade, we have developed an MRI-based technique to measure ROR

  20. Work, heat, and oxygen cost

    NASA Technical Reports Server (NTRS)

    Webb, P.

    1973-01-01

    Human energy is discussed in terms of the whole man. The physical work a man does, the heat he produces, and the quantity of oxygen he takes from the air to combine with food, the fuel source of his energy, are described. The daily energy exchange, work and heat dissipation, oxygen costs of specific activities, anaerobic work, and working in space suits are summarized.

  1. ANALYTICAL METHODS FOR FUEL OXYGENATES

    EPA Science Inventory

    MTBE (and potentially any other oxygenate) may be present at any petroleum UST site, whether the release is new or old, virtually anywhere in the United States. Consequently, it is prudent to analyze samples for the entire suite of oxygenates as identified in this protocol (i.e....

  2. Monte Carlo simulation of electron detachment properties for {{\\text{O}_{2}^{{}}}^{-}} ions in oxygen and oxygen:nitrogen mixtures

    NASA Astrophysics Data System (ADS)

    Ponomarev, A. A.; Aleksandrov, N. L.

    2015-06-01

    Electron detachment properties of {{\\text{O}2{}}-} ions in pure oxygen and oxygen:nitrogen mixtures have been studied by a Monte Carlo technique for the reduced electric fields up to 350?Td (1?Td = 10?17?V·cm2). Swarm parameters were calculated for unexcited and vibrationally excited \\text{O}{{{}2}-} ions taking into account vibrational transfer and relaxation, charge transfer and electron detachment. The cross sections for vibrational transfer and relaxation in collisions between {{\\text{O}2{}}-} ions and O2 molecules were calculated on the basis of the statistical approach that had been successfully used in our previous work to simulate the effect of vibrational excitation and the effect of electric field on electron detachment. Good agreement between the calculated detachment rate and available measurements in oxygen were obtained over a wide range of reduced electric fields without using adjusted parameters. The method was used to calculate detachment rates in air and in some other oxygen:nitrogen mixtures and to study the effect of gas temperature on electron detachment.

  3. Method for Trace Oxygen Detection

    NASA Technical Reports Server (NTRS)

    Man, Kim Fung (Inventor); Boumsellek, Said (Inventor); Chutjian, Ara (Inventor)

    1997-01-01

    Trace levels of molecular oxygen are measured by introducing a gas containing the molecular oxygen into a target zone, and impacting the molecular oxygen in the target zone with electrons at the O(-) resonant energy level for dissociative electron attachment to produce O(-) ions. Preferably, the electrons have an energy of about 4 to about 10 eV. The amount of O(-) ions produced is measured, and is correlated with the molecular oxygen content in the target zone. The technique is effective for measuring levels of oxygen below 50 ppb. and even less than 1 ppb. The amount of O(-) can be measured in a quadrupole mass analyzer. Best results are obtained when the electrons have an energy of about 6 to about 8 eV. and preferably about 6.8 eV. The method can be used for other species by selecting the appropriate electron energy level.

  4. Oxidation state of mantle xenoliths from British Columbia, Canada

    Microsoft Academic Search

    Dante Canil; David Virgo; Christopher M. Scarfe

    1990-01-01

    Mössbauer spectra for 17 spinels separated from mantle xenoliths from six different eruptive centers in southern British Columbia, Canada were measured in an effort to accurately determine their Fe3+\\/total Fe ratios, and to examine lateral and vertical variations in oxygen fugacities (fo2's) calculated for these samples using published thermobarometric methods. Spectra acquired at 298 and 77 K suggest that both

  5. Oxygen enriched combustion system performance study

    Microsoft Academic Search

    M. A. Delano; Y. Kwan

    1989-01-01

    The current study was undertaken to evaluate the performance of a pressure swing adsorption (PSA) oxygen plant to provide oxygen for industrial combustion applications. PSA oxygen plants utilize a molecular sieve material to separate air into an oxygen rich product stream and a nitrogen rich exhaust stream. These plants typically produce 90-95% purity oxygen and are located in close proximity

  6. Mixed oxygen ion/electron-conducting ceramics for oxygen separation

    SciTech Connect

    Stevenson, J.W.; Armstrong, B.L.; Armstrong, T.R.; Bates, J.L.; Pederson, L.R.; Weber, W.J.

    1995-05-01

    Solid mixed-conducting electrolytes in the series La{sub l-x}A{sub x}Co{sub l-y}Fe{sub y}O{sub 3-{delta}} (A = Sr,Ca,Ba) are potentially useful as passive membranes to separate high purity oxygen from air and as cathodes in fuel cells. All of the compositions studied exhibited very high electrical conductivities. At lower temperatures, conductivities increased with increasing temperature, characterized by activation energies of 0.05 to 0.16 eV that are consistent with a small polaron (localized electronic carrier) conduction mechanism. At higher temperatures, electronic conductivities tended to decrease with increasing temperature, which is attributed to decreased electronic carrier populations associated with lattice oxygen loss. Oxygen ion conductivities were higher than that of yttria stabilized zirconia and increased with the cobalt content and also increased with the extent of divalent A-site substitution. Thermogravimetric studies were conducted to establish the extent of oxygen vacancy formation as a function of temperature, oxygen partial pressure, and composition. These vacancy populations strongly depend on the extent of A-site substitution. Passive oxygen permeation rates were established for each of the compositions as a function of temperature and oxygen partial pressure gradient. For 2.5 mm thick membranes in an oxygen vs nitrogen partial pressure gradient, oxygen fluxes at 900 C ranged from approximately 0.3 sccm/cm{sup 2} for compositions high in iron and with low amounts of strontium A-site substitution to approximately 0.8 sccm/cm{sup 2} for compositions high in cobalt and strontium. A-site substitution with calcium instead of strontium resulted in substantially lower fluxes.

  7. Oxygen incorporation in acceptor-doped perovskites

    NASA Astrophysics Data System (ADS)

    Bévillon, Emile; Dezanneau, Guilhem; Geneste, Grégory

    2011-05-01

    Oxygen is experimentally known to be incorporated in acceptor-doped perovskites at high temperatures, leading to a hole conductivity proportional to pO21/4 and increasing with temperature [(1)/(2)O2+VO••?OOX+2h•]. Either this high-temperature incorporation is thermodynamically favored by temperature, suggesting an endothermic process (?H0 > 0), or it is exothermic. In the latter case, since it is obviously associated with a ?S0 < 0, the process should be favorable only at low temperatures, except if kinetically blocked. To examine this phenomenon, the reaction of O2 incorporation into the acceptor-doped perovskites BaSnO3 and BaZrO3, doped by trivalent dopants (Ga, Sc, In, Y), according to BaSn/Zr1-xMxO3-x/2+x/4O2?BaSn/Zr1-xMxO3, is studied by density-functional calculations for a high dopant concentration (x=0.25). In this process, the charged vacancies VO•• resulting from the charge compensation produced by doping, are filled with oxygen atoms, yielding a metallic compound with holes. It is found to be exothermic in all cases, showing that these acceptor-doped perovskites are able to incorporate oxygen at low temperatures, whereas the reaction is unfavorable above a given temperature, whose value is discussed. At any rate, it is suggested that the process is kinetically blocked at low temperatures due to very slow thermally activated vacancy diffusion. A thermochemical approach is presented that tentatively explains why the hole conductivity increases with temperature at high temperatures, although the hole concentration decreases, yielding a model compatible with experimental observations and theoretical calculations.

  8. The oxygen therapy.

    PubMed

    Corsonello, A; Pedone, C; Scarlata, S; Zito, A; Laino, I; Antonelli-Incalzi, R

    2013-01-01

    Oxygen (O(2)) is a vital element. Shortage of O(2) results in deranged metabolism and important changes in vascular tone with opposite effects on the systemic and pulmonary circulation. During hypoxemia, oxidative stress exposes the organism to a sort of accelerated senescence as well as to several acute untoward effects. Thus, hypoxemia should be promptly recognized and treated, hopefully by measures tailored to the pathophysiological mechanisms underlying hypoxemia. However, O(2) therapy remains the most common therapy of hypoxemia, but it must be carefully tailored to relieve hypoxemia without provoking hyperoxia or hypercarbia. Then, the individual response to O(2) as well as changing needs of O(2) during sleep or exercise must be evaluated to provide the best O(2) therapy. Hyperoxia, the effect of overcorrection of hypoxia, can dramatically impact the health status and threaten the survival of the newborn and, through different mechanisms and effects, the adult. A thorough knowledge of the pathophysiological bases of hypoxemia and O(2) storage and delivery devices is then mandatory to administer O(2) therapy guaranteeing for optimal correction of hypoxemia and minimizing the risk of hyperoxia. Consistent with this aim also is a careful scrutiny of instruments and procedures for monitoring the individual response to O(2) over time. Thus, at variance from classical pharmacological therapy, performing O(2) therapy requires a vast array of clinical and technical competences. The optimal integration of these competences is needed to optimize O(2) therapy on individual bases. PMID:23317164

  9. Insensitivity of cerebral oxygen transport to oxygen affinity of hemoglobin-based oxygen carriers

    PubMed Central

    Koehler, Raymond C.; Fronticelli, Clara; Bucci, Enrico

    2008-01-01

    The cerebrovascular effects of exchange transfusion of various cell-free hemoglobins that possess different oxygen affinities are reviewed. Reducing hematocrit by transfusion of a non-oxygen-carrying solution dilates pial arterioles on the brain surface and increases cerebral blood flow to maintain a constant bulk oxygen transport to the brain. In contrast, transfusion of hemoglobins with P50 of 4–34 Torr causes constriction of pial arterioles that offsets the decrease in blood viscosity to maintain cerebral blood flow and oxygen transport. The autoregulatory constriction is dependent on synthesis of 20-HETE from arachidonic acid. This oxygen-dependent reaction is apparently enhanced by facilitated oxygen diffusion from the red cell to the endothelium arising from increased plasma oxygen solubility in the presence of low or high-affinity hemoglobin. Exchange transfusion of recombinant hemoglobin polymers with P50 of 3 and 18 Torr reduces infarct volume from experimental stroke. Cell-free hemoglobins do not require a P50 as high as red blood cell hemoglobin to facilitate oxygen delivery. PMID:18230370

  10. Measurement of intracellular oxygen concentration during photodynamic therapy in vitro.

    PubMed

    Weston, Mark A; Patterson, Michael S

    2014-01-01

    A technique is introduced that monitors the depletion of intracellular ground state oxygen concentration ([(3)O(2)]) during photodynamic therapy of Mat-LyLu cell monolayers and cell suspensions. The photosensitizer Pd(II) meso-tetra(4-carboxyphenyl)porphine (PdT790) is used to manipulate and indicate intracellular [(3)O(2)] in both of the in vitro models. The Stern-Volmer relationship for PdT790 phosphorescence was characterized in suspensions by flowing nitrogen over the suspension while short pulses of 405 nm light were used to excite the sensitizer. The bleaching of sensitizer and the oxygen consumption rate were also measured during continuous exposure of the cell suspension to the 405 nm laser. Photodynamic therapy (PDT) was conducted in both cell suspensions and in cell monolayers under different treatment conditions while the phosphorescence signal was acquired. The intracellular [(3)O(2)] during PDT was calculated by using the measured Stern-Volmer relationship and correcting for sensitizer photobleaching. In addition, the amount of oxygen that was consumed during the treatments was calculated. It was found that even at large oxygen consumption rates, cells remain well oxygenated during PDT of cell suspensions. For monolayer treatments, it was found that intracellular [(3)O(2)] is rapidly depleted over the course of PDT. PMID:24521344

  11. Spatiotemporal oxygen sensing using dual emissive boron dye-polylactide nanofibers.

    PubMed

    Bowers, Daniel T; Tanes, Michael L; Das, Anusuya; Lin, Yong; Keane, Nicole A; Neal, Rebekah A; Ogle, Molly E; Brayman, Kenneth L; Fraser, Cassandra L; Botchwey, Edward A

    2014-12-23

    Oxygenation in tissue scaffolds continues to be a limiting factor in regenerative medicine despite efforts to induce neovascularization or to use oxygen-generating materials. Unfortunately, many established methods to measure oxygen concentration, such as using electrodes, require mechanical disturbance of the tissue structure. To address the need for scaffold-based oxygen concentration monitoring, a single-component, self-referenced oxygen sensor was made into nanofibers. Electrospinning process parameters were tuned to produce a biomaterial scaffold with specific morphological features. The ratio of an oxygen sensitive phosphorescence signal to an oxygen insensitive fluorescence signal was calculated at each image pixel to determine an oxygenation value. A single component boron dye-polymer conjugate was chosen for additional investigation due to improved resistance to degradation in aqueous media compared to a boron dye polymer blend. Standardization curves show that in fully supplemented media, the fibers are responsive to dissolved oxygen concentrations less than 15 ppm. Spatial (millimeters) and temporal (minutes) ratiometric gradients were observed in vitro radiating outward from the center of a dense adherent cell grouping on scaffolds. Sensor activation in ischemia and cell transplant models in vivo show oxygenation decreases on the scale of minutes. The nanofiber construct offers a robust approach to biomaterial scaffold oxygen sensing. PMID:25426706

  12. The Relationships between Arterial Oxygen Flow Rate, Oxygen Binding by Hemoglobin, and Oxygen Utilization after Myocardial Infarction

    PubMed Central

    Lichtman, Marshall A.; Cohen, Jules; Young, Jerald A.; Whitbeck, April A.; Murphy, Marion

    1974-01-01

    The interrelationships of arterial oxygen flow rate index, oxygen binding by hemoglobin, and oxygen consumption have been examined in patients with acute myocardial infarction. Proportional extraction of oxygen increased in close association with decreasing oxygen flow rate, and hence, whole body oxygen consumption was constant over nearly a three-fold variation in arterial oxygen flow rate. A reduction in hemoglobin-oxygen affinity at in vivo conditions of pH. Pco2 and temperature also occurred in proportion to the reduction in arterial oxygen flow rate. Therefore, the increased proportional removal of oxygen from arterial blood at low oxygen flow rates, required to maintain oxygen consumption, may have been facilitated by the reduced affinity of hemoglobin for oxygen at in vivo conditions. However, the decrease in affinity did not appear to explain more than 30-40% of the increased extraction. Respiratory alkalosis was a frequent occurrence in these patients and 2,3-diphosphoglycerate was positively associated with blood pH as well as with the time-averaged proportion of deoxyhemoglobin in arterial and venous blood. Hemoglobin-oxygen affinity measured at standard conditions and the mixed venous oxygen saturation were equally good indicators of reduced arterial oxygen flow rate in patients without shock. However, S?vo2 is more easily measured and is a more useful indicator of reduced oxygen flow rate, since its relationship to oxygen flow appears to be independent of affinity changes and time. PMID:4855047

  13. Regulation of retinal oxygen metabolism in humans during graded hypoxia.

    PubMed

    Palkovits, Stefan; Told, Reinhard; Schmidl, Doreen; Boltz, Agnes; Napora, Katarzyna J; Lasta, Michael; Kaya, Semira; Werkmeister, René M; Popa-Cherecheanu, Alina; Garhöfer, Gerhard; Schmetterer, Leopold

    2014-11-15

    Animal experiments indicate that the inner retina keeps its oxygen extraction constant despite systemic hypoxia. For the human retina no such data exist. In the present study we hypothesized that systemic hypoxia does not alter inner retinal oxygen extraction. To test this hypothesis we included 30 healthy male and female subjects aged between 18 and 35 years. All subjects were studied at baseline and during breathing 12% O? in 88% N? as well as breathing 15% O? in 85% N?. Oxygen saturation in a retinal artery (SO?art) and an adjacent retinal vein (SO?vein) were measured using spectroscopic fundus reflectometry. Measurements of retinal venous blood velocity using bidirectional laser Doppler velocimetry and retinal venous diameters using a Retinal Vessel Analyzer (RVA) were combined to calculate retinal blood flow. Oxygen and carbon dioxide partial pressure were measured from earlobe arterialized capillary blood. Retinal blood flow was increased by 43.0 ± 23.2% (P < 0.001) and 30.0 ± 20.9% (P < 0.001) during 12% and 15% O? breathing, respectively. SO?art as well as SO?vein decreased during both 12% O? breathing (SO?art: -11.2 ± 4.3%, P < 0.001; SO?vein: -3.9 ± 8.5%, P = 0.012) and 15% O? breathing (SO?art: -7.9 ± 3.6%, P < 0.001; SO?vein: -4.0 ± 7.0%, P = 0.010). The arteriovenous oxygen difference decreased during both breathing periods (12% O2: -28.9 ± 18.7%; 15% O?: -19.1 ± 16.7%, P < 0.001 each). Calculated oxygen extraction did, however, not change during our experiments (12% O?: -2.8 ± 18.9%, P = 0.65; 15% O?: 2.4 ± 15.8%, P = 0.26). Our results indicate that in healthy humans, oxygen extraction of the inner retina remains constant during systemic hypoxia. PMID:25217648

  14. Oxygen transfer in the implant environment

    E-print Network

    Goor, Jared Braden

    2007-01-01

    dissolved oxygen, temporary flux imbalance may reduce the sensordissolved oxygen in the materials and fluids of the sensordissolved oxygen which could have temporarily disrupted the flux balance, lowering the sensor

  15. Oxygen Compatibility Screening Tests in Oxygen-Rich Combustion Environment

    NASA Technical Reports Server (NTRS)

    Eckel, Anerew J.

    1997-01-01

    The identification and characterization of oxygen-rich compatible materials enables full-flow, staged combustion designs. Although these oxygen-rich designs offer significant cost, performance, and reliability benefits over existing systems, they have never been used operationally by the United States. If these systems are to be realized, it is critical to understand the long-term oxidative stability in high-temperature, high-pressure, oxygen-rich combustion environments. A unique facility has been constructed at the NASA Lewis Research Center to conduct tests of small-scale rocket engine materials and subcomponents in an oxygen-rich combustion environment that closely approximates a full-scale rocket engine. Thus, a broad range of advanced materials and concepts can be screened in a timely manner and at a relatively low cost.

  16. Computer Simulation of Defects and Oxygen Transport in Yttria-Stabilized Zirconia

    SciTech Connect

    Devanathan, Ram; Weber, William J.; Singhal, Subhash C.; Gale, Julian D.

    2006-06-15

    We have used molecular dynamics simulations and energy minimization calculations to examine defect energetics and oxygen diffusion in yttria-stabilized zirconia (YSZ). Oxygen vacancies prefer to be second nearest neighbors to yttrium dopants. The oxygen diffusion coefficient shows a peak at 8 mole % yttria consistent with experimental findings. The activation energy for oxygen diffusion varies from 0.6 to 1.0 eV depending on the yttria content. The Y-Vo-Y complex with a binding energy of -0.85 eV may play an important role in any conductivity degradation of YSZ.

  17. Scalable chemical oxygen - iodine laser

    SciTech Connect

    Adamenkov, A A; Bakshin, V V; Vyskubenko, B A; Efremov, V I; Il'in, S P; Ilyushin, Yurii N; Kolobyanin, Yu V; Kudryashov, E A; Troshkin, M V [Russian Federal Nuclear Center 'All-Russian Research Institute of Experimental Physics', Sarov, Nizhnii Novgorod region (Russian Federation)

    2011-12-31

    The problem of scaling chemical oxygen - iodine lasers (COILs) is discussed. The results of experimental study of a twisted-aerosol singlet oxygen generator meeting the COIL scalability requirements are presented. The energy characteristics of a supersonic COIL with singlet oxygen and iodine mixing in parallel flows are also experimentally studied. The output power of {approx}7.5 kW, corresponding to a specific power of 230 W cm{sup -2}, is achieved. The maximum chemical efficiency of the COIL is {approx}30%.

  18. Wearable and flexible oxygen sensor for transcutaneous oxygen monitoring

    Microsoft Academic Search

    Kohji Mitsubayashi; Yoshihiko Wakabayashi; Daisuke Murotomi; Takua Yamada; Tatsuya Kawase; Suketsune Iwagaki; Isao Karube

    2003-01-01

    A wearable and flexible oxygen sensor with membrane structure was constructed by pouching KCl electrolyte solution by both non-permeable (metal weldable) sheet and gas-permeable membrane with Pt- and Ag\\/AgCl-electrode patterned by microfabrication techniques. The electrolyte solution was fastened only by heat-sealing the edges of the weldable membranes without any chemical adhesives.The wearable oxygen sensor (thickness: 84?m) was applied to the

  19. Systemic oxygen extraction during exercise at high altitude

    PubMed Central

    Martin, D. S.; Cobb, A.; Meale, P.; Mitchell, K.; Edsell, M.; Mythen, M. G.; Grocott, M. P. W.; Adams, Tom; Biseker, Lindsay; Booth, Adam; Burdall, Oliver; Cobb, Alexandra; Cumpstey, Andrew; Dauncey, Steve; Edsell, Mark; Farrant, James; Feelisch, Martin; Fernandez, Bernadette; Firth, Oliver; Gilbert, Edward; Grant, Daniel; Grocott, Michael; Hennis, Phil; Jackson, Laura; Jenner, Will; van der Kaaij, Jildou; Khosravi, Maryam; Kortekaas, Edith; Levett, Denny; Mahomed, Zeyn; Martin, Daniel; Meale, Paula; Milledge, Jim; Mitchell, Kay; Mole, Damian; Moses, Oliver; Mythen, Michael; Rigat, Fabio; O'Doherty, Alasdair; Salam, Alex; Sanborn, Matt; Sheperdigian, Adam; Shrubb, Fiona; Simpson, Jo; Talbot, Nick; Wandrag, Liesel; Wijesingha, Savini; Williamson, Wilby; Woolley, Tom; Yow, Heng

    2015-01-01

    Background Classic teaching suggests that diminished availability of oxygen leads to increased tissue oxygen extraction yet evidence to support this notion in the context of hypoxaemia, as opposed to anaemia or cardiac failure, is limited. Methods At 75 m above sea level, and after 7–8 days of acclimatization to 4559 m, systemic oxygen extraction [C(a?v)O2] was calculated in five participants at rest and at peak exercise. Absolute [C(a?v)O2] was calculated by subtracting central venous oxygen content (CcvO2) from arterial oxygen content (CaO2) in blood sampled from central venous and peripheral arterial catheters, respectively. Oxygen uptake (V?O2) was determined from expired gas analysis during exercise. Results Ascent to altitude resulted in significant hypoxaemia; median (range) SpO2 87.1 (82.5–90.7)% and PaO2 6.6 (5.7–6.8) kPa. While absolute C(a?v)O2 was reduced at maximum exercise at 4559 m [83.9 (67.5–120.9) ml litre?1 vs 99.6 (88.0–151.3) ml litre?1 at 75 m, P=0.043], there was no change in oxygen extraction ratio (OER) [C(a?v)O2/CaO2] between the two altitudes [0.52 (0.48–0.71) at 4559 m and 0.53 (0.49–0.73) at 75 m, P=0.500]. Comparison of C(a?v)O2 at peak V?O2 at 4559 m and the equivalent V?O2 at sea level for each participant also revealed no significant difference [83.9 (67.5–120.9) ml litre1 vs 81.2 (73.0–120.7) ml litre?1, respectively, P=0.225]. Conclusion In acclimatized individuals at 4559 m, there was a decline in maximum absolute C(a?v)O2 during exercise but no alteration in OER calculated using central venous oxygen measurements. This suggests that oxygen extraction may have become limited after exposure to 7–8 days of hypoxaemia. PMID:25501722

  20. Productivity and heat generation of fermentation under oxygen limitation

    Microsoft Academic Search

    I. G. Minkevich; V. K. Eroshin

    1973-01-01

    The elemental balance equation of microbial growth on carbon substrate of generalized composition is given. Yield of dried\\u000a bio-mass per oxygenY\\u000a o is calculated. Yield per oxygenY\\u000a o is found to be determined by two factors—carbon yieldy and the reducing power of substrate ?\\u000a s\\u000a . The mode of dependence ofY\\u000a o on these two quantities is studied. The energetic

  1. The Martian Hot Oxygen Corona at Ancient times

    NASA Astrophysics Data System (ADS)

    Lee, Y.; Combi, M. R.; Tenishev, V.; Bougher, S. W.; Dong, C.; Pawlowski, D. J.

    2014-12-01

    The evaluation of the global atomic oxygen loss rate and its changes over geologic time is necessary for a better understanding of the evolution of the Martian atmosphere. The recent surface geomorphological evidence suggests that water has played a key role in forming the present atmospheric environment. Throughout the planet's history, the inventory of water has been affected in part by changing solar radiation and solar wind conditions. In this study, we investigate the evolution of the oxygen atom inventory by simulating the hot oxygen corona for solar conditions appropriate to about 2.5 Gyr ago (about 3 times the current solar EUV flux). Dissociative recombination of O2+ion is assumed to remain as the dominant source of hot atomic oxygen at ancient times. To describe ancient Mars, we present the 3D self-consistent simulations of the Martian hot oxygen corona by one-way coupling our Adaptive Mesh Particle Simulator (AMPS) with the ancient thermosphere and ionosphere as simulated by the 3D Mars Global Ionosphere Thermosphere Model (M-GITM), a newly developed atmospheric model. The structure and composition of the Martian upper atmosphere and the hot oxygen corona during early solar conditions are compared with those at the current epoch to study the evolution of the macroscopic parameters and their effects on the hot oxygen corona. The coupled framework provides the density and escape probabilities of hot oxygen and estimates the global atmospheric loss rates for the conditions considered. These results are also being used as input into calculations of the global solar wind interaction with Mars' atmosphere, ionosphere and exosphere.

  2. Dilute Oxygen Combustion Phase IV Final Report

    SciTech Connect

    Riley, M.F.

    2003-04-30

    Novel furnace designs based on Dilute Oxygen Combustion (DOC) technology were developed under subcontract by Techint Technologies, Coraopolis, PA, to fully exploit the energy and environmental capabilities of DOC technology and to provide a competitive offering for new furnace construction opportunities. Capital cost, fuel, oxygen and utility costs, NOx emissions, oxide scaling performance, and maintenance requirements were compared for five DOC-based designs and three conventional air5-fired designs using a 10-year net present value calculation. A furnace direct completely with DOC burners offers low capital cost, low fuel rate, and minimal NOx emissions. However, these benefits do not offset the cost of oxygen and a full DOC-fired furnace is projected to cost $1.30 per ton more to operate than a conventional air-fired furnace. The incremental cost of the improved NOx performance is roughly $6/lb NOx, compared with an estimated $3/lb. NOx for equ8pping a conventional furnace with selective catalytic reduction (SCCR) technology. A furnace fired with DOC burners in the heating zone and ambient temperature (cold) air-fired burners in the soak zone offers low capital cost with less oxygen consumption. However, the improvement in fuel rate is not as great as the full DOC-fired design, and the DOC-cold soak design is also projected to cost $1.30 per ton more to operate than a conventional air-fired furnace. The NOx improvement with the DOC-cold soak design is also not as great as the full DOC fired design, and the incremental cost of the improved NOx performance is nearly $9/lb NOx. These results indicate that a DOC-based furnace design will not be generally competitive with conventional technology for new furnace construction under current market conditions. Fuel prices of $7/MMBtu or oxygen prices of $23/ton are needed to make the DOC furnace economics favorable. Niche applications may exist, particularly where access to capital is limited or floor space limitations are critical. DOC technology will continue to have a highly competitive role in retrofit applications requiring increases in furnace productivity.

  3. Solid State oxygen Sensor Development

    NASA Technical Reports Server (NTRS)

    Cheung, Jeffery T.; Johnson, Scott R.

    1994-01-01

    To anticipate future long-duration mission needs for life support sensors, we explored the feasibility of using thin-film metal-oxide semiconductors. The objective of this task was to develop gas sensors for life support applications which would be suitable for long-duration missions. Metal oxides, such as ZnO, SnO2, and TiO2 have been shown to react with oxygen molecules. Oxygen lowers the metal oxide's electrical resistance. Critical to the performance is the application of the oxide in a thin film on an inert substrate: the thinner the film, the more readily the oxygen penetration and hence the more rapid and sensitive the sensor. Metal oxides are not limited to oxygen detection, rather, oxides offer detection and quantification applications to the complete range of gases of interest, not only for life support systems, but for propellants as well.

  4. HETEROGENOUS DEGRADATION OF OXYGENATED INTERMEDIATES

    EPA Science Inventory

    Issues surrounding the importance of including heterogeneous processes when determining the fate of oxygenated intermediates in the troposphere are discussed. esults of recent investigations are reviewed and preliminary data from a laboratory study are presented. n the laboratory...

  5. Nanocrystalline undoped ceria oxygen sensor

    Microsoft Academic Search

    Piotr Jasinski; Toshio Suzuki; Harlan U. Anderson

    2003-01-01

    The results of a study of the structure and the electrical properties of nanocrystalline cerium oxide sensor are presented. The relationship between the resistance of the thin film ceria and oxygen partial pressure is shown. In the range of oxygen concentration from 10ppm to 100% the conductivity of the ceria follows (PO2)?1\\/4 behavior. The response time of the sensor and

  6. Oxygen chemisorption on copper (110)

    NASA Astrophysics Data System (ADS)

    Mundenar, J. M.; Baddorf, A. P.; Plummer, E. W.; Sneddon, L. G.; Didio, R. A.; Zehner, D. M.

    1987-09-01

    High resolution electron energy loss spectroscopy (EELS) and angle-resolved ultra-violet photoelectron spectroscopy (UPS) have been used: (1) to study a surface phonon of Cu(110) as a function of oxygen coverage, (2) to identify oxygen adsorption site(s) in the p(2×1)O, c(6×2)O, and disordered oxygen overlayer (formed by O 2 exposure at 100 K), and (3) to determine whether molecular adsorption or dissociation of O 2 followed by atomic adsorption occurs after oxygen exposure at 100 K. With EELS, a continuous shift in energy of the surface phonon as a function of oxygen exposure at 300 K is observed. Our EELS data for the p(2×1)O overlayer support previous reports of a single long-bridge adsorption site, while indicating two sites are populated in the c(6×2)O overlayer: a long-bridge site and a four-coordinated site. The long-bridge site is populated at all coverages while the four-coordinated sites is occupied only after high exposures (?2×10 4 L) at room temperature, or after exposures >2 L at low temperature (100 K). For both conditions the oxygen coverages are greater than 0.5 monolayer. Also, EELS and complementary UPS data clearly show that oxygen adsorbs dissociatively on Cu(110) after O 2 exposure at 100 K. At this temperature, LEED results indicate that the oxygen atoms are adsorbed without long-range order; however, local adsorption sites, which are similar to those in the c(6×2)O surface, are observed.

  7. Bloodless evaluation of blood oxygenators

    Microsoft Academic Search

    Sanjiv S. Shah; Edward F. Leonard

    1983-01-01

    Evaluation of blood oxygenators using whole blood is inconvenient and expensive, although it is the ultimate preclinical test.\\u000a Sodium sulfite solutions have advantages over blood for studying oxygen uptake: They are inexpensive, fewer variables need\\u000a control, and deoxygenation is unnecessary. Assays and interpretation of results are easy. The kinetics of sulfite oxidation\\u000a must be fast and the concentration of sulfite

  8. Autistic Savant Calendar Calculators.

    ERIC Educational Resources Information Center

    Patti, Paul J.

    This study identified 10 savants with developmental disabilities and an exceptional ability to calculate calendar dates. These "calendar calculators" were asked to demonstrate their abilities, and their strategies were analyzed. The study found that the ability to calculate dates into the past or future varied widely among these calculators. Three…

  9. Oxygen discharge and post-discharge kinetics experiments and modeling for the electric oxygen-iodine laser system.

    PubMed

    Palla, A D; Zimmerman, J W; Woodard, B S; Carroll, D L; Verdeyen, J T; Lim, T C; Solomon, W C

    2007-07-26

    Laser oscillation at 1315 nm on the I(2P1/2)-->I(2P3/2) transition of atomic iodine has been obtained by a near resonant energy transfer from O2(a1Delta) produced using a low-pressure oxygen/helium/nitric oxide discharge. In the electric discharge oxygen-iodine laser (ElectricOIL) the discharge production of atomic oxygen, ozone, and other excited species adds levels of complexity to the singlet oxygen generator (SOG) kinetics which are not encountered in a classic purely chemical O2(a1Delta) generation system. The advanced model BLAZE-IV has been introduced to study the energy-transfer laser system dynamics and kinetics. Levels of singlet oxygen, oxygen atoms, and ozone are measured experimentally and compared with calculations. The new BLAZE-IV model is in reasonable agreement with O3, O atom, and gas temperature measurements but is under-predicting the increase in O2(a1Delta) concentration resulting from the presence of NO in the discharge and under-predicting the O2(b1Sigma) concentrations. A key conclusion is that the removal of oxygen atoms by NOX species leads to a significant increase in O2(a1Delta) concentrations downstream of the discharge in part via a recycling process; however, there are still some important processes related to the NOX discharge kinetics that are missing from the present modeling. Further, the removal of oxygen atoms dramatically inhibits the production of ozone in the downstream kinetics. PMID:17461557

  10. ENEA experience in oxygen measurements

    NASA Astrophysics Data System (ADS)

    Foletti, C.; Gessi, A.; Benamati, G.

    2008-06-01

    Impurity detection in liquid metals is one of the most important tasks in the development of Accelerator Driven Subcritical (ADS) system technologies. Dissolved oxygen and metal oxides are the most dangerous impurities that could affect the Pb(44.5%)-Bi(55.5%) eutectic alloy cooling/target system, especially in consideration of the potential for system plugging. Accurate measurement of oxygen concentration in heavy metal coolants or targets for nuclear applications, whether liquid lead-bismuth eutectic or pure lead, is a critical issue in defining the need for active oxygen control to first of all prevent contamination of the liquid system by lead and bismuth oxides, and, in addition, to ensure efficient corrosion protection of iron-based alloy structures in contact with the coolant/target if the self-healing oxide layer method of corrosion protection is chosen. Due to this twofold aspect of the management of dissolved oxygen, the monitoring of oxygen concentration becomes of primary importance. This paper will focus on the development of an on-line oxygen monitoring system and more particularly on the description of the test to define the reliability of the electrochemical sensors. In addition, it will address the question of how such systems can be improved.

  11. A theoretical and experimental study of pressure broadening of the oxygen A-band by helium

    NASA Astrophysics Data System (ADS)

    Grimminck, Dennis L. A. G.; Spiering, Frans R.; Janssen, Liesbeth M. C.; van der Avoird, Ad; van der Zande, Wim J.; Groenenboom, Gerrit C.

    2014-05-01

    The rotationally resolved magnetic dipole absorption spectrum of the oxygen A-band b{^1? _g^+}(v=0)leftarrow X{^3? _g^-}(v=0) perturbed by collisions with helium was studied theoretically using the impact approximation. To calculate the relaxation matrix, scattering calculations were performed on a newly computed helium-oxygen (b{^1? _g^+}) interaction potential as well as on a helium-oxygen (X{^3? _g^-}) interaction potential from the literature. The calculated integrated line cross sections and broadening coefficients are in good agreement with experimental results from the literature. Additionally, cavity ring-down experiments were performed in the wings of the spectral lines for a quantitative study of line-mixing, i.e., the redistribution of rotational line intensities by helium-oxygen collisions. It is shown that inclusion of line-mixing in the theory is required to reproduce the experimentally determined absolute absorption strengths as a function of the density of the helium gas.

  12. Alternative Method for the Thermospheric Atomic Oxygen Density Determination

    NASA Technical Reports Server (NTRS)

    Bennett, A. C.; Omidvar, K.; Atlas, Robert (Technical Monitor)

    2001-01-01

    Atomic oxygen density in the upper thermosphere (approximately 300 km) can be calculated using ground based incoherent scatter radar and Fabry-Perot interferometer measurements. Burnside et al. was the first to try this method, but Buonsanto et al. provided an extensive treatment of the method in 1997. This paper further examines the method using 46 nights of data collected over six years and the latest information on the oxygen collision frequency. The method is compared with the MSIS (Mass Spectrometer Incoherent Scatter)-86 atomic oxygen prediction values, which are based upon in situ rocket born and satellite measurements from the 70s to the mid-80s. In general, the method supports the MSIS-86 model, but indicates several areas of discrepancy. Furthermore, no direct correlation is found between the geomagnetic conditions and the difference between the method and MSIS-86 predictions.

  13. Alternative Methods of the Thermospheric Atomic Oxygen Density Determination

    NASA Technical Reports Server (NTRS)

    Bennett. Adam C.; Omidvar, Kazem; Einaudi, Franco (Technical Monitor)

    2000-01-01

    Atomic oxygen density in the upper thermosphere (approximately 300 km) can be calculated using ground based incoherent scatter radar and Fabry-Perot interferometer measurements. Burnside et al. [1991] was the first to try this method, but Buonsanto et al. provided an extensive treatment of the method in 1997. This paper further examines the method using 46 nights of data collected over six years and the latest information on the oxygen collision frequency. The method is compared with the MSIS-86 atomic oxygen prediction values, which are based upon in situ rocket born and satellite measurements from the 70's to the mid-80's In general, the method supports the MSIS-86 model, but indicates several areas of discrepancy. Furthermore, no direct correlation is found between the geomagnetic conditions and the difference between the method and MSIS-86 predictions.

  14. Origin of dramatic oxygen solute strengthening effect in titanium

    NASA Astrophysics Data System (ADS)

    Yu, Qian; Qi, Liang; Tsuru, Tomohito; Traylor, Rachel; Rugg, David; Morris, J. W.; Asta, Mark; Chrzan, D. C.; Minor, Andrew M.

    2015-02-01

    Structural alloys are often strengthened through the addition of solute atoms. However, given that solute atoms interact weakly with the elastic fields of screw dislocations, it has long been accepted that solution hardening is only marginally effective in materials with mobile screw dislocations. By using transmission electron microscopy and nanomechanical characterization, we report that the intense hardening effect of dilute oxygen solutes in pure ?-Ti is due to the interaction between oxygen and the core of screw dislocations that mainly glide on prismatic planes. First-principles calculations reveal that distortion of the interstitial sites at the screw dislocation core creates a very strong but short-range repulsion for oxygen that is consistent with experimental observations. These results establish a highly effective mechanism for strengthening by interstitial solutes.

  15. Hydrogen and oxygen on InP nanowire surfaces

    NASA Astrophysics Data System (ADS)

    Schmidt, T. M.

    2006-09-01

    Recently great progress have been obtained with nanowires for electrical and optical applications. Due to the large surface-to-volume ratio of these nanostructures, of particular interest is the understanding of the unknown and hard to determine experimentally surface structure and the electronic effects due to surface states. In this letter the author investigate the structural and electronic properties of hydrogen passivation and the oxidation of surface InP nanowires by ab initio density functional theory. Our calculations show that hydrogen passivation is a chemisorbed process that removes the surface states, opening up the band gap. Our results for oxygen adsorbed on the hydrogen passivated InP nanowires show that there are many configurations where the oxygens are chemisorbed processes. The oxygens introduce energy levels back inside the band gap that can work as nonradiative recombination centers and can explain some experiments, such as the low luminescence observed in InP nanostructures.

  16. Oxygen isotope corrections for online ?34S analysis

    USGS Publications Warehouse

    Fry, B.; Silva, S.R.; Kendall, C.; Anderson, R.K.

    2002-01-01

    Elemental analyzers have been successfully coupled to stable-isotope-ratio mass spectrometers for online measurements of the ?34S isotopic composition of plants, animals and soils. We found that the online technology for automated ?34S isotopic determinations did not yield reproducible oxygen isotopic compositions in the SO2 produced, and as a result calculated ?34S values were often 1–3‰ too high versus their correct values, particularly for plant and animal samples with high C/S ratio. Here we provide empirical and analytical methods for correcting the S isotope values for oxygen isotope variations, and further detail a new SO2-SiO2 buffering method that minimizes detrimental oxygen isotope variations in SO2.

  17. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili

    2004-01-01

    We have investigated the impact of hot metastable oxygen atoms on the product yields and rate coefficients of atmospheric reactions involving O( (sup 1)D). The contribution of the metastable oxygen atoms to the thermal balance of the terrestrial atmosphere between 50 and 200 km has been determined. We found that the presence of hot O((sup l)D) atoms in the mesosphere and lower thermosphere significantly increases the production rate of the rotationally-vibrationally excited NO molecules. The computed yield of the NO molecules in N2O+ O((sup 1)D) atmospheric collisions, involving non-Maxwellian distributions of the metastable oxygen atoms, is more than two times larger than the NO-yield at a thermal equilibrium. The calculated non-equilibrium rate and yield functions are important for ozone and nitrous oxide modeling in the stratosphere, mesosphere and lower thermosphere.

  18. Metallurgy. Origin of dramatic oxygen solute strengthening effect in titanium.

    PubMed

    Yu, Qian; Qi, Liang; Tsuru, Tomohito; Traylor, Rachel; Rugg, David; Morris, J W; Asta, Mark; Chrzan, D C; Minor, Andrew M

    2015-02-01

    Structural alloys are often strengthened through the addition of solute atoms. However, given that solute atoms interact weakly with the elastic fields of screw dislocations, it has long been accepted that solution hardening is only marginally effective in materials with mobile screw dislocations. By using transmission electron microscopy and nanomechanical characterization, we report that the intense hardening effect of dilute oxygen solutes in pure ?-Ti is due to the interaction between oxygen and the core of screw dislocations that mainly glide on prismatic planes. First-principles calculations reveal that distortion of the interstitial sites at the screw dislocation core creates a very strong but short-range repulsion for oxygen that is consistent with experimental observations. These results establish a highly effective mechanism for strengthening by interstitial solutes. PMID:25657243

  19. Acceleration of Oxygen ions by Magnetic Reconnection

    NASA Astrophysics Data System (ADS)

    Liang, H.; Ashour-Abdalla, M.; Lapenta, G.; Walker, R. J.

    2014-12-01

    Spacecraft observations in the magnetotail show that O+ ions can dominate the pressure and density during storm-time substorms. In this study, we use a 2D version of an implicit Particle-in-Cell simulation (iPIC3D) in the presence of H+ and O+ ions to investigate O+ heating and bulk acceleration processes during collisionless reconnection. In the simulations, a 2D Harris current sheet without a guide field is used for the initial condition. Open boundary conditions are used. Considering O+/H+ = 1:1, we compare the diffusion regions for H+ and O+ and analyze the energy gains of O+ at different locations with respect to the inflow and outflow boundaries, the X-point, the separatrices and dipolarization fronts (DFs). We also calculate the field energy variation and O+ velocity distribution functions at these locations to investigate the heating and acceleration process. The results show that the diffusion regions are not limited near the X-point, but also extend along the separatrices up to 10s of dH (H+ inertial length) away from the X-point. The proton diffusion region along a separatrix is about ~24 dH and that of oxygen is about ~40 dH. Strongly positive J·E is shown near the DF for both species, while there is a weakly negative J·E at the slightly upstream of DF for protons, which does not appear for oxygen. Proton heating is mainly near the X-point and downstream of the separatrices, while oxygen heating extends into the inflow and outflow regions near the X-point and concentrates in the region slightly upstream of the DF. The study of the ion acceleration by reconnection is one of the scientific objectives of the Energetic Particle Detector (EPD) onboard the upcoming Magnetospheric Multiscale (MMS) mission and these results are directly related to the expected observations by MMS.

  20. USE OF A PROGRAMMABLE CALCULATOR IN CARDIOPULMONARY PERFUSION

    PubMed Central

    Mills, J. David; Tallent, Jerome H.

    1978-01-01

    This study describes a hand-held, battery-powered, programmable instrument (Calculator Model SR-52) that can be taken directly into the operating room by cardiopulmonary perfusionists. Three programs are described in detail: 1) Cardiopulmonary perfusion parameters and estimated blood volume; 2) blood gas parameters and saturations, with temperature corrections; and 3) cardiopulmonary oxygen transfer and oxygenator efficiency. This inexpensive calculator allows perfusion personnel to manipulate easily-derived data into values which heretofore have required elaborate nomograms or special slide rules—or were not available within a reasonable computational time. PMID:15216068

  1. Make Liquid Oxygen in Your Class

    ERIC Educational Resources Information Center

    French, M. M. J.; Hibbert, Michael

    2010-01-01

    Oxygen is one of the component gases of air at room temperature, making up around 20% of the atmosphere. But can oxygen be liquified? This article details a method for making small amounts of liquid oxygen in the classroom if there is no access to a cylinder of compressed oxygen gas, and two methods for identifying the fact that it is liquid…

  2. EVALUATING AN INNOVATIVE OXYGEN SENSOR FOR REMOTE SUBSURFACE OXYGEN MEASUREMENTS

    SciTech Connect

    Millings, M; Brian Riha, B; Warren Hyde, W; Karen Vangelas, K; Brian02 Looney, B

    2006-10-12

    Oxygen is a primary indicator of whether anaerobic reductive dechlorination and similar redox based processes contribute to natural attenuation remedies at chlorinated solvent contaminated sites. Thus, oxygen is a viable indicator parameter for documenting that a system is being sustained in an anaerobic condition. A team of researchers investigated the adaptation of an optical sensor that was developed for oceanographic applications. The optical sensor, because of its design and operating principle, has potential for extended deployment and sensitivity at the low oxygen levels relevant to natural attenuation. The results of the research indicate this tool will be useful for in situ long-term monitoring applications, but that the traditional characterization tools continue to be appropriate for characterization activities.

  3. The Calculator Reference

    NSDL National Science Digital Library

    Furr, Rick.

    If you remember the days when calculators were as big as today's laptops, then you'll definitely feel nostalgic when you visit the Calculator Reference. Operated by an avid collector of vintage calculators, the site covers Texas Instruments and Hewlett-Packard brands, as well as the pioneering Curta. Several other models are included in the Desktop Calculators section. Even some interesting trivia is given on the site, like why calculator key pads are numbered in a different order than telephone key pads. There are many links to other sites and articles related to classic calculator technology.

  4. Oxygen chemisorption-induced surface phase transitions on Cu(110)

    NASA Astrophysics Data System (ADS)

    Liu, Qianqian; Li, Liang; Cai, Na; Saidi, Wissam A.; Zhou, Guangwen

    2014-09-01

    From an interplay between variable temperature scanning tunneling microscopy and density-functional theory calculations, the evolution of oxygen chemisorption-induced surface reconstructions of the Cu(110) surface is determined. The surface reconstructions proceed via a sequential pathway with increasing oxygen surface coverage. The (2 × 1) reconstruction occurs first and then transits to the c(6 × 2) phase with a higher oxygen coverage through a mechanism that consumes the existing (2 × 1) phase with the supply of Cu adatoms from step edges and terraces. The temperature dependence of the (2 × 1) ? c(6 × 2) transition demonstrates that the surface phase transition is an activated process for breaking up added Cu-O-Cu rows in the (2 × 1) structure. Comparison between the experimental observations and the theoretical surface phase diagram obtained from first-principles thermodynamic calculations reveals that the (2 × 1) ? c(6 × 2) transition takes place at the oxygen chemical potentials that are far above the chemical potential for Cu2O bulk oxide formation, reflecting the existence of kinetic limitations to the surface phase transition and the bulk oxide formation.

  5. Elastic properties of chiral carbon nanotubes under oxygen adsorption

    NASA Astrophysics Data System (ADS)

    Ansari, R.; Mirnezhad, M.; Sadeghi, F.

    2015-06-01

    This work aims to comprehensively study the effect of oxygen chemisorption on the elastic properties of carbon nanotubes (CNTs). To this end, a molecular mechanics model is used along with the density functional theory (DFT) calculations. This investigation is conducted for oxygenated carbon nanotubes (O-CNTs) with various types of chirality including armchair, zigzag and chiral. On the basis of DFT, the force constants used in the total potential energy of system are calculated. Moreover, Young's modulus and Poisson's ratio of oxygenated graphene sheet (O-graphene) are determined based on the DFT. The results show that by adsorption of oxygen atoms, the stiffness of graphene reduces about 23%. The bending stiffness of O-graphene is obtained corresponding to adsorption on the inside and outside of the nanotubes. It is revealed that for an arbitrary value of diameter, Young's modulus of zigzag O-CNTs is smaller than that of chiral O-CNTs and the latter one is also smaller than that of armchair O-CNTs, while a reverse trend is found for the variation of Poisson's ratio with the chirality.

  6. Oxygen electrode reaction in molten carbonate fuel cells

    SciTech Connect

    Appleby, A.J.; White, R.E.

    1992-07-07

    Molten carbonate fuel cell system is a leading candidate for the utility power generation because of its high efficiency for fuel to AC power conversion, capability for an internal reforming, and a very low environmental impact. However, the performance of the molten carbonate fuel cell is limited by the oxygen reduction reaction and the cell life time is limited by the stability of the cathode material. An elucidation of oxygen reduction reaction in molten alkali carbonate is essential because overpotential losses in the molten carbonate fuel cell are considerably greater at the oxygen cathode than at the fuel anode. Oxygen reduction on a fully-immersed gold electrode in a lithium carbonate melt was investigated by electrochemical impedance spectroscopy and cyclic voltammetry to determine electrode kinetic and mass transfer parameters. The dependences of electrode kinetic and mass transfer parameters on gas composition and temperature were examined to determine the reaction orders and the activation energies. The results showed that oxygen reduction in a pure lithium carbonate melt occurs via the peroxide mechanism. A mass transfer parameter, D{sub O}{sup 1/2}C{sub O}, estimated by the cyclic voltammetry concurred with that calculated by the EIS technique. The temperature dependence of the exchange current density and the product D{sub O}{sup 1/2}C{sub O} were examined and the apparent activation energies were determined to be about 122 and 175 kJ/ mol, respectively.

  7. Materials International Space Station Experiment-6 (MISSE-6) Atomic Oxygen Fluence Monitor Experiment

    NASA Technical Reports Server (NTRS)

    Banks, Bruce A.; Miller, Sharon K.; Waters, Deborah L.

    2010-01-01

    An atomic oxygen fluence monitor was flown as part of the Materials International Space Station Experiment-6 (MISSE-6). The monitor was designed to measure the accumulation of atomic oxygen fluence with time as it impinged upon the ram surface of the MISSE 6B Passive Experiment Container (PEC). This was an active experiment for which data was to be stored on a battery-powered data logger for post-flight retrieval and analysis. The atomic oxygen fluence measurement was accomplished by allowing atomic oxygen to erode two opposing wedges of pyrolytic graphite that partially covered a photodiode. As the wedges of pyrolytic graphite erode, the area of the photodiode that is illuminated by the Sun increases. The short circuit current, which is proportional to the area of illumination, was to be measured and recorded as a function of time. The short circuit current from a different photodiode, which was oriented in the same direction and had an unobstructed view of the Sun, was also to be recorded as a reference current. The ratio of the two separate recorded currents should bear a linear relationship with the accumulated atomic oxygen fluence and be independent of the intensity of solar illumination. Ground hyperthermal atomic oxygen exposure facilities were used to evaluate the linearity of the ratio of short circuit current to the atomic oxygen fluence. In flight, the current measurement circuitry failed to operate properly, thus the overall atomic oxygen mission fluence could only be estimated based on the physical erosion of the pyrolytic graphite wedges. The atomic oxygen fluence was calculated based on the knowledge of the space atomic oxygen erosion yield of pyrolytic graphite measured from samples on the MISSE 2. The atomic oxygen fluence monitor, the expected result and comparison of mission atomic oxygen fluence based on the erosion of the pyrolytic graphite and Kapton H atomic oxygen fluence witness samples are presented in this paper.

  8. Ditch the Calculators.

    ERIC Educational Resources Information Center

    Hunsaker, Diane

    1997-01-01

    Discusses the overuse of calculators in mathematics classrooms. Argues that the sole purpose of teaching mathematics is for thinking and discipline and these goals cannot be obtained when using calculators. (ASK)

  9. Personal Finance Calculations.

    ERIC Educational Resources Information Center

    Argo, Mark

    1982-01-01

    Contains explanations and examples of mathematical calculations for a secondary level course on personal finance. How to calculate total monetary cost of an item, monthly payments, different types of interest, annual percentage rates, and unit pricing is explained. (RM)

  10. Calculators in the Classroom?

    ERIC Educational Resources Information Center

    Royce, George; Shank, James

    1977-01-01

    Reports results of a student attitude survey among junior high school students who had been allowed to utilize classroom calculators to check results of mathematical computations. Students displayed a significant preference for using calculators in the classroom. (SL)

  11. Oxygenation in fetal lambs supported by extrauterine right atrium to artery extracorporeal membrane oxygenation

    Microsoft Academic Search

    Toshiya Kamimura; Yuji Murata; Edward J. Quilligan; Satoshi Ibara; Keiya Fujimori; Yasutoshi Nakamura; Hiroshi Sakamoto

    1996-01-01

    OBJECTIVE: Our purpose was to determine the adequacy of oxygenation, particularly cranial and cardiac oxygenation, in exteriorized fetal lambs on right atrium to artery extracorporeal membrane oxygenation. STUDY DESIGN: Thirteen fetal lambs were placed on right atrium to artery extracorporeal membrane oxygenation between the gestational ages of 113 and 133 days. Various PO2 and oxygen saturation (SO2) values were obtained

  12. Calculator-Active Materials.

    ERIC Educational Resources Information Center

    Crow, Tracy, Ed.; Harris, Julia, Ed.

    1997-01-01

    This journal contains brief descriptions of calculator-active materials that were found using Resource Finder, the searchable online catalog of curriculum resources from the Eisenhower National Clearinghouse (ENC). It features both the calculators themselves and the activity books that are used with them. Among the calculators included are those…

  13. Calculating a Mineral's Density

    NSDL National Science Digital Library

    Andrea Distelhurst

    2011-10-05

    Students will use the Density=Mass/Volume formula to calculate the density of an unknown mineral. By using water displacement and a triple beam balance students will collect measurements of volume and mass for an unknown mineral. With this data, they will calculate the mineral's density then identify the mineral based on calculated density.

  14. Ecological Footprint Calculators

    NSDL National Science Digital Library

    EcoBusinessLinks

    This website contains interactive calculators for determining various environmental impacts. The site includes more than 15 different calculators to determine greenhouse gas emissions, ecological footprints, electricity pollution, air travel pollution, commuting costs, appliance costs, pollution prevention and more. These calculators can be used for computer-based classroom activities or to enable students to see which types of activities have the greatest environmental impact.

  15. Calculators in the Classroom

    ERIC Educational Resources Information Center

    Pendleton, Deedee

    1975-01-01

    Presents the pro and con of the use of calculators in the classroom. Some feel that calculators make learning mathematics more fun and when used for creative problem solving provide student motivation. Others feel that dependence on the calculators will result in students unable to do simple mathematics on paper. (GS)

  16. The effect of dissolved oxygen tension and the utility of oxygen uptake rate in insect cell culture.

    PubMed

    Palomares, L A; Ramirez, O T

    1996-01-01

    Dissolved oxygen tension and oxygen uptake rate are critical parameters in animal cell culture. However, only scarce information of such variables is available for insect cell culture. In this work, the effect of dissolved oxygen tension (DOT) and the utility of on-line oxygen uptake rate (OUR) measurements in monitoring Spodoptera frugiperda (Sf9) cultures were determined. Sf9 cells were grown at constant dissolved oxygen tensions in the range of 0 to 30%. Sf9 metabolism was affected only at DOT below 10%, as no significant differences on specific growth rate, cell concentration, amino acid consumption/production nor carbohydrates consumption rates were found at DOT between 10 and 30%. The specific growth rate and specific oxygen uptake rate followed typical Monod kinetics with respect to DOT. The calculated ?(max) and [Formula: see text] max were 0.033 h(-1) and 3.82×10(-10) mole cell(-1)h(-1), respectively, and the corresponding saturation constants were 1.91 and 1.57%, respectively. In all aerated cultures, lactate was consumed only after glucose and fructose had been exhausted. The yield of lactate increased with decreasing DOT. It is proposed, that an 'apparent' DOT in non-instrumented cultures can be inferred from the lactate yield of bioreactors as a function of DOT. Such a concept, can be a useful and important tool for determining the average dissolved oxygen tension in non-instrumented cultures. It was shown that the dynamic behavior of OUR can be correlated with monosaccharide (fructose and glucose) depletion and viable cell concentration. Accordingly, OUR can have two important applications in insect cell culture: for on-line estimation of viable cells, and as a possible feed-back control variable in automatic strategies of nutrient addition. PMID:22358933

  17. Biodegradation of gasoline ether oxygenates.

    PubMed

    Hyman, Michael

    2013-06-01

    Ether oxygenates such as methyl tertiary butyl ether (MTBE) are added to gasoline to improve fuel combustion and decrease exhaust emissions. Ether oxygenates and their tertiary alcohol metabolites are now an important group of groundwater pollutants. This review highlights recent advances in our understanding of the microorganisms, enzymes and pathways involved in both the aerobic and anaerobic biodegradation of these compounds. This review also aims to illustrate how these microbiological and biochemical studies have guided, and have helped refine, molecular and stable isotope-based analytical approaches that are increasingly being used to detect and quantify biodegradation of these compounds in contaminated environments. PMID:23116604

  18. High Temperature Sorbents for Oxygen

    NASA Technical Reports Server (NTRS)

    Sharma, Pramod K. (Inventor)

    1996-01-01

    A sorbent capable of removing trace amounts of oxygen (ppt) from a gas stream at a high temperature above 200 C is introduced. The sorbent comprises a porous alumina silicate support such as zeolite containing from 1 to 10 percent by weight of ion exchanged transition metal such as copper or cobalt ions and 0.05 to 1.0 percent by weight of an activator selected from a platinum group metal such as platinum. The activation temperature, oxygen sorption and reducibility are all improved by the presence of the platinum activator.

  19. High temperature sorbents for oxygen

    NASA Technical Reports Server (NTRS)

    Sharma, Pramod K. (inventor)

    1994-01-01

    A sorbent capable of removing trace amounts of oxygen (ppt) from a gas stream at a high temperature above 200 C comprising a porous alumina silicate support, such as zeolite, containing from 1 to 10 percent by weight of ion exchanged transition metal, such as copper or cobalt ions, and 0.05 to 1.0 percent by weight of an activator selected from a platinum group metal such as platinum is described. The activation temperature, oxygen sorption, and reducibility are all improved by the presence of the platinum activator.

  20. Monatomic Oxygen Makes Materials Biocompatible

    NASA Technical Reports Server (NTRS)

    Spaulding, Glenn; Koontz, Steven L.

    1993-01-01

    Treatment with monatomic oxygen activates surfaces of biomedical and biotechnical materials without adversely affecting properties of bulk and without introducing toxic or otherwise dangerous solvent residues. Treatment used to create carpetlike texture increasing surface area and encouraging cells to adhere and grow. On silicone tubing for vascular implants, carpet surface improves acceptance by body. On polymer beads and vessels, surface increases effectiveness of growing, storing, and separating cell cultures. Monatomic oxygen relatively abundant in upper atmosphere of Earth, thus treatments carried out on Space Shuttle missions. Alternatively, one of several high-energy neutral-beam devices used in terrestrial laboratories.

  1. Pilot Plant Makes Oxygen Difluoride

    NASA Technical Reports Server (NTRS)

    Humphrey, Marshall F.; Lawton, Emil A.

    1989-01-01

    Pilot plant makes oxygen difluoride highly-energetic, space-storable oxidizer not made commercially. Designed to handle reactants, product, and byproduct, most of which highly reactive, corrosive, and toxic. Oxygen difluoride evolves continuously from reactor containing potassium hydroxide in water at 10 degree C. Collection tanks alternated; one filled while other drained to storage cylinder. Excess OF2 and F2 dissipated in combustion of charcoal in burn barrel. Toxic byproduct, potassium fluoride, reacted with calcium hydroxide to form nontoxic calcium fluoride and to regenerate potassium hydroxide. Equipment processes toxic, difficult-to-make substance efficiently and safely.

  2. Modification of the oxygen diffusivity in limiting current oxygen sensors

    Microsoft Academic Search

    S. Nazarpour; C. Zamani; F. M. Ramos; Albert Cirera

    2011-01-01

    Effect of sacrificial carbon on microstructure of protective layer and sensing properties of limiting current oxygen sensors were studied. Graphite and carbon nanofiber with different concentrations were examined as sacrificial layer. Therefore, several YSZ-based electrochemical gas sensors were fabricated with dissimilarity in the diffusivity of the layer covering their measuring electrodes.Gas sensors were tested as potentiometric and amperometric devices under

  3. Singlet oxygen generation by 9-acetoxy-2,7,12,17-tetrakis-(?-methoxyethyl)-porphycene (ATMPn) in solution

    NASA Astrophysics Data System (ADS)

    Baumer, Daniela; Maier, Max; Engl, Roland; Markus Szeimies, Rolf; Bäumler, Wolfgang

    2002-12-01

    Despite the approval of Photofrin ® in various countries, chemically pure sensitizers for photodynamic therapy (PDT) are still needed. Based on numerous experiments in vitro, singlet oxygen is considered to play the major role in PDT. Therefore, the generation of singlet oxygen by the promising, hydrophobic photosensitizer 9-acetoxy-2,7,12,17-tetrakis-(?-methoxyethyl)-porphycene (ATMPn) in deuterated ethanol (EtOD) has been investigated in detail by time-resolved near-infrared spectroscopy. Using a new, highly sensitive infrared photomultiplier the complete time dependence of singlet oxygen luminescence was measured at 1270 nm. The respective relaxation rates and rate constants of the involved ATMPn triplet T 1 state and oxygen 1?g state were determined, in particular at different oxygen concentrations. Therefore, the oxygen concentration dependence of the proportion PT of the ATMPn triplet T 1 state population quenched by oxygen, which is proportional to the singlet oxygen quantum yield ??, could be calculated. The result shows that PT decreased significantly with decreasing oxygen concentration. The completely different oxygen concentrations in vitro and in vivo lead therefore to a different quantum yield of singlet oxygen generation in both situations. Thus, one has to be careful when transferring results from in vitro experiments to photodynamic therapy in vivo, in particular regarding the role of singlet oxygen (type-II reaction) as compared to the type-I reaction.

  4. Oxygen Stability and Leakage Current Mechanism in Ferroelectric La-Substituted Bi4Ti3O12 Single Crystals

    Microsoft Academic Search

    Yuji Noguchi; Masayuki Soga; Masatake Takahashi; Masaru Miyayama

    2005-01-01

    We have investigated the effects of La substitution on the oxygen stability, defects, leakage current and polarization properties in ferroelectric bismuth titanate (Bi4Ti3O12) by measuring the properties of single crystals and by ab initio electronic structure calculations. It is shown that electron holes arising from the incorporation of oxygen at oxygen vacancies act as detrimental carriers for leakage current at

  5. In situ measurement of sediment oxygen demand in catfish ponds

    Microsoft Academic Search

    C. R. Berthelson; T. P. Cathcart; J. W. Pote

    1996-01-01

    Sediment oxygen demand (SOD) was measured in catfish aquaculture ponds using a computer-controlled data acquisition system coupled with in situ respirometers. A total of 86 rate determinations were made in northwest Mississippi. Calculated SOD rates averaged 4·44 g\\/m2 per day at an average temperature of 29°C. These rates exceeded those recorded previously in catfish ponds and may have reflected differences

  6. Numerical analysis of response time for resistive oxygen gas sensors

    Microsoft Academic Search

    Noriya Izu; Woosuck Shin; Norimitsu Murayama

    2002-01-01

    The response time (t90) for resistive-type oxygen gas sensors based on thick films formed with cerium oxide (CeO2??) powder can be calculated as a function of the diffusion coefficient (DV), surface reaction coefficient (kV) and particle size (R). In the case of large particle size the kinetics of the sensors were controlled by diffusion, while in the case of small

  7. Calculation of secondary electron emission yield ? from MgO surface

    Microsoft Academic Search

    Yasushi Motoyama; Fumio Sato

    2006-01-01

    Secondary electron emission yield ? values for rare-gas particles (He, Ne, Ar, Kr, and Xe ions of atoms and molecules, metastable atoms, and excimers) of MgO deposited under optimum conditions for the highest ? values were calculated assuming the Auger transitions between the valence band, and the F (oxygen ion vacancy + two electrons) and F+ (oxygen ion vacancy +

  8. Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

    NASA Technical Reports Server (NTRS)

    Good, Brian

    2011-01-01

    Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

  9. Reactivity of oxygen deficient cerium oxide clusters with small gaseous molecules.

    PubMed

    Nagata, Toshiaki; Miyajima, Ken; Hardy, Robert Allan; Metha, Gregory F; Mafuné, Fumitaka

    2015-06-01

    Oxygen deficient cerium oxide cluster ions, CenOm(+) (n = 2-10, m = 1-2n) were prepared in the gas phase by laser ablation of a cerium oxide rod. The reactivity of the cluster ions was investigated using mass spectrometry, finding that oxygen deficient clusters are able to extract oxygen atoms from CO, CO2, NO, N2O, and O2 in the gas phase. The oxygen transfer reaction is explained in terms of the energy balance between the bond dissociation energy of an oxygen containing molecule and the oxygen affinity of the oxygen-deficient cerium oxide clusters, which is supported by DFT calculations. The reverse reaction, i.e., formation of the oxygen deficient cluster ions from the stoichiometric ones was also examined. It was found that intensive heating of the stoichiometric clusters results in formation of oxygen deficient clusters via CenO2n(+) ? CenO2n-2(+) + O2, which was found to occur at different temperatures depending on cluster size, n. PMID:25965076

  10. hp calculators HP 50g Calculator Modes and Customization

    E-print Network

    Vetter, Frederick J.

    hp calculators HP 50g Calculator Modes and Customization Choosing how to use your Calculator and Customization #12;hp calculators HP 50g Calculator Modes and Customization hp calculators - 2 - HP 50g Calculator Modes and Customization Choosing how to Use your Calculator The HP 50g gives you many ways

  11. Liquid-Oxygen Expert System

    NASA Technical Reports Server (NTRS)

    Jamieson, John R., Jr.; Delaune, Carl I.

    1988-01-01

    Complicated system monitored for equipment failures. Report summarizes structure, capabilities, and development history of Liquid-Oxygen Expert System (LES). Designed to detect immediately signs of trouble among measurements fed into current Launch Processing System (LPS). LES contains three elements: knowledge base, constraint mechanism, and diagnoser. Output of LES in form of written reports.

  12. Bifunctional oxygen electrodes. Final report

    Microsoft Academic Search

    D. Tryk; W. Aldred; Z. Chen; C. Fierro; J. Hashiguchi; M. Hossain; Z. Zhang; F. Zhao

    1985-01-01

    Objective of the research on bifunctional oxygen electrodes for alkaline electrolytes has been to improve significantly both the cathodic and anodic polarization as well as the cycle life of such electrodes. The research has focused on finding high-efficiency, long-life electrocatalysts for Oâ reduction and generation and achieving an understanding of the mechanisms of the catalysis. Catalyst systems which have been

  13. OXYGEN AERATION AT NEWTOWN CREEK

    EPA Science Inventory

    A successful initial feasibility investigation of oxygen aeration at the 0.11-cu m/sec (2.5-mgd) municipal wastewater treatment plant in Batavia, New York, prompted a larger demonstration at New York City's 13.6-cu m/sec (310-mgd) Newtown Creek Plant. A 34-mo evaluation was perfo...

  14. Lights, X-rays, oxygen!

    PubMed

    Jez, Joseph M; Blankenship, Robert E

    2014-08-14

    Photosystem II uses metal ions to oxidize water to form O2. Two recent papers employ the new technique of serial femtosecond crystallography utilizing X-ray free-electron lasers and nanocrystals to obtain initial structures of intermediate states of photosystem II catalysis at the site of oxygen production. PMID:25126779

  15. Integrated-Optic Oxygen Sensors

    NASA Technical Reports Server (NTRS)

    Mendoza, Edgar A.; Lieberman, Robert A.

    2004-01-01

    Compact optical oxygen sensors with self-calibration capabilities are undergoing development. A sensor of this type features a single-chip, integrated-optic design implemented by photolithographic fabrication of optical waveguides in a photosensitive porous glass. The porosity serves as both a matrix for retention of an oxygen-sensitive fluorescent indicator chemical and a medium for diffusion of oxygen to the chemical from the ambient air to be monitored. Each sensor includes at least one such waveguide exposed to the atmosphere and at least one covered with metal for isolation from the atmosphere. The covered one serves as a reference channel. In operation, the concentration of oxygen is deduced from the intensity and lifetime of the fluorescence in the exposed channel, with the help of calibration data acquired via the reference channel. Because the sensory chemical is placed directly in and throughout the cross section of the light path, approximately 99 percent of the light in the waveguide is available for interaction with the chemical, in contradistinction to only about 1 percent of the light in an optical sensor that utilizes evanescentwave coupling. Hence, a sensor of this type is significantly more sensitive.

  16. Exhaust oxygen sensor dynamic study

    Microsoft Academic Search

    Da Yu Wang; Eric Detwiler

    2006-01-01

    We used transfer function approach to investigate the dynamics of oxygen sensors in engine exhaust environment, operated in both Lambda and wide range sensing modes. We measured the sensor transfer functions of the sensor responses and compared with the model. All the dynamic mechanisms involved were identified. The dynamic contributions are from the louver-shield, the protection coating-layer, the sensing electrode

  17. Making oxygen with ruthenium complexes.

    PubMed

    Concepcion, Javier J; Jurss, Jonah W; Brennaman, M Kyle; Hoertz, Paul G; Patrocinio, Antonio Otávio T; Murakami Iha, Neyde Yukie; Templeton, Joseph L; Meyer, Thomas J

    2009-12-21

    Mastering the production of solar fuels by artificial photosynthesis would be a considerable feat, either by water splitting into hydrogen and oxygen or reduction of CO(2) to methanol or hydrocarbons: 2H(2)O + 4hnu --> O(2) + 2H(2); 2H(2)O + CO(2) + 8hnu --> 2O(2) + CH(4). It is notable that water oxidation to dioxygen is a key half-reaction in both. In principle, these solar fuel reactions can be coupled to light absorption in molecular assemblies, nanostructured arrays, or photoelectrochemical cells (PECs) by a modular approach. The modular approach uses light absorption, electron transfer in excited states, directed long range electron transfer and proton transfer, both driven by free energy gradients, combined with proton coupled electron transfer (PCET) and single electron activation of multielectron catalysis. Until recently, a lack of molecular catalysts, especially for water oxidation, has limited progress in this area. Analysis of water oxidation mechanism for the "blue" Ru dimer cis,cis-[(bpy)(2)(H(2)O)Ru(III)ORu(III)(OH(2))(bpy)(2)](4+) (bpy is 2,2'-bipyridine) has opened a new, general approach to single site catalysts both in solution and on electrode surfaces. As a catalyst, the blue dimer is limited by competitive side reactions involving anation, but we have shown that its rate of water oxidation can be greatly enhanced by electron transfer mediators such as Ru(bpy)(2)(bpz)(2+) (bpz is 2,2'-bipyrazine) in solution or Ru(4,4'-((HO)(2)P(O)CH(2))(2)bpy)(2)(bpy)(2+) on ITO (ITO/Sn) or FTO (SnO(2)/F) electrodes. In this Account, we describe a general reactivity toward water oxidation in a class of molecules whose properties can be "tuned" systematically by synthetic variations based on mechanistic insight. These molecules catalyze water oxidation driven either electrochemically or by Ce(IV). The first two were in the series Ru(tpy)(bpm)(OH(2))(2+) and Ru(tpy)(bpz)(OH(2))(2+) (bpm is 2,2'- bipyrimidine; tpy is 2,2':6',2''-terpyridine), which undergo hundreds of turnovers without decomposition with Ce(IV) as oxidant. Detailed mechanistic studies and DFT calculations have revealed a stepwise mechanism: initial 2e(-)/2H(+) oxidation, to Ru(IV)=O(2+), 1e(-) oxidation to Ru(V)=(3+), nucleophilic H(2)O attack to give Ru(III)-OOH(2+), further oxidation to Ru(IV)(O(2))(2+), and, finally, oxygen loss, which is in competition with further oxidation of Ru(IV)(O(2))(2+) to Ru(V)(O(2))(3+), which loses O(2) rapidly. An extended family of 10-15 catalysts based on Mebimpy (Mebimpy is 2,6-bis(1-methylbenzimidazol-2-yl)pyridine), tpy, and heterocyclic carbene ligands all appear to share a common mechanism. The osmium complex Os(tpy)(bpy)(OH(2))(2+) also functions as a water oxidation catalyst. Mechanistic experiments have revealed additional pathways for water oxidation one involving Cl(-) catalysis and another, rate enhancement of O-O bond formation by concerted atom-proton transfer (APT). Surface-bound [(4,4'-((HO)(2)P(O)CH(2))(2)bpy)(2)Ru(II)(bpm)Ru(II)(Mebimpy)(OH(2))](4+) and its tpy analog are impressive electrocatalysts for water oxidation, undergoing thousands of turnovers without loss of catalytic activity. These catalysts were designed for use in dye-sensitized solar cell configurations on TiO(2) to provide oxidative equivalents by molecular excitation and excited-state electron injection. Transient absorption measurements on TiO(2)-[(4,4'((HO)(2)P(O)CH(2))(2)bpy)(2)Ru(II)(bpm)Ru(II)(Mebimpy)(OH(2))](4+), (TiO(2)-Ru(II)-Ru(II)OH(2)) and its tpy analog have provided direct insight into the interfacial and intramolecular electron transfer events that occur following excitation. With added hydroquinone in a PEC configuration, APCE (absorbed-photon-to-current-efficiency) values of 4-5% are obtained for dehydrogenation of hydroquinone, H(2)Q + 2hnu --> Q + H(2). In more recent experiments, we are using the same PEC configuration to investigate water splitting. PMID:19817345

  18. Models of the distribution of ultra-violet oxygen emission at a wavelength of 1356 A in the ionosphere

    Microsoft Academic Search

    K. B. Serafimov

    1981-01-01

    Models of the vertical distribution of oxygen ultraviolet emissions at a wavelength of 1356 A in the ionosphere are formed using a complete expression for the local emission of this line, in which three basic generation mechanisms are considered: radiative recombination, ion neutralization, and direct electron collisions with oxygen atoms. The calculated models are based on the radiative and ion

  19. Oxygen intake in ion irradiated fullerene films

    NASA Astrophysics Data System (ADS)

    Kumar, Amit; Khan, S. A.; Kumar, Manvendra; Agarwal, D. C.; Singh, Fouran; Tripathi, A.; Govind; Shivaprasad, S. M.; Salomon, J.; Pichon, L.; Pivin, J. C.; Avasthi, D. K.

    2008-04-01

    The present work reports the change in the oxygen content in energetic ion irradiated fullerene films. The oxygen contents in irradiated films have been studied using on-line elastic recoil detection analysis (ERDA) and off-line X-ray photo electron emission (XPS) and nuclear reaction analysis (NRA) techniques. The XPS and NRA techniques show that the oxygen content increases with ion fluence, whereas on-line ERDA measurements reveal that the oxygen content decreases with ion fluence. These experiments give clear evidence that oxygen content in irradiated films increases after exposure to the atmospheric oxygen.

  20. Experimental thermal conductivity, thermal diffusivity, and specific heat values for mixtures of nitrogen, oxygen, and argon

    NASA Technical Reports Server (NTRS)

    Perkins, R. A.; Cieszkiewicz, M. T.

    1991-01-01

    Experimental measurements of thermal conductivity and thermal diffusivity obtained with a transient hot-wire apparatus are reported for three mixtures of nitrogen, oxygen, and argon. Values of the specific heat, Cp, are calculated from these measured values and the density calculated with an equation of state. The measurements were made at temperatures between 65 and 303 K with pressures between 0.1 and 70 MPa. The data cover the vapor, liquid, and supercritical gas phases for the three mixtures. The total reported points are 1066 for the air mixture (78.11 percent nitrogen, 20.97 percent oxygen, and 0.92 percent argon), 1058 for the 50 percent nitrogen, 50 percent oxygen mixture, and 864 for the 25 percent nitrogen, 75 oxygen mixture. Empirical thermal conductivity correlations are provided for the three mixtures.

  1. Correlations between the oxygen deficiency and the laser damage resistance of different oxide films

    NASA Astrophysics Data System (ADS)

    Xu, Cheng; Yi, Peng; Fan, Heliang; Qi, Jianwei; Qiang, Yinghuai; Liu, Jiongtian; Tao, Chunxian; Li, Dawei

    2014-01-01

    Ta2O5, ZrO2 and HfO2 films are deposited on BK7 substrates by electron beam evaporation method. The effects of oxygen deficiency on the optical properties and laser-induced damage threshold (LIDT) are investigated by the combination of experimental methods and first principles calculations. The results show that the oxygen deficiency weakens the transmittance, whereas it enhances the absorption of all the films. Once the oxide vacancy appears, the band gaps decrease greatly, which seriously decrease the LIDT. The calculated negative vacancy energies indicate that, when the oxygen vacancy exists, Ta2O5 is most easily to be damaged, next is ZrO2 and the last is HfO2. It is consistent with the LIDT results that Ta2O5 increases 64.8%, ZrO2 increases 19.4% and HfO2 increases 12.9% when the oxygen vacancy is eliminated.

  2. One year of Seaglider dissolved oxygen concentration profiles at the PAP site

    NASA Astrophysics Data System (ADS)

    Binetti, Umberto; Kaiser, Jan; Heywood, Karen; Damerell, Gillian; Rumyantseva, Anna

    2015-04-01

    Oxygen is one of the most important variables measured in oceanography, influenced both by physical and biological factors. During the OSMOSIS project, 7 Seagliders were used in 3 subsequent missions to measure a multidisciplinary suite of parameters at high frequency in the top 1000 m of the water column for one year, from September 2012 to September 2013. The gliders were deployed at the PAP time series station (nominally at 49° N 16.5° W) and surveyed the area following a butterfly-shaped path. Oxygen concentration was measured by Aanderaa optodes and calibrated using ship CTD O2 profiles during 5 deployment and recovery cruises, which were in turn calibrated by Winkler titration of discrete samples. The oxygen-rich mixed layer deepens in fall and winter and gets richer in oxygen when the temperature decreases. The spring bloom did not happen as expected, but instead the presence of a series of small blooms was measured throughout spring and early summer. During the summer the mixed layer become very shallow and oxygen concentrations decreased. A Deep Oxygen Maximum (DOM) developed along with a deep chlorophyll maximum during the summer and was located just below the mixed layer . At this depth, phytoplankton had favourable light and nutrient conditions to grow and produce oxygen, which was not subject to immediate outgassing. The oxygen concentration in the DOM was not constant, but decreased, then increased again until the end of the mission. Intrusions of oxygen rich water are also visible throughout the mission. These are probably due to mesoscale events through the horizontal transport of oxygen and/or nutrients that can enhance productivity, particularly at the edge of the fronts. We calculate net community production (NCP) by analysing the variation in oxygen with time. Two methods have been proposed. The classical oxygen budget method assumes that changes in oxygen are due to the sum of air-sea flux, isopycnal advection, diapycnal mixing and NCP. ERA-Interim provides climatological data to calculate air-sea gas exchange fluxes based on wind-speed parameterisations of the gas exchange coefficient. The second method exploits the high frequency of the measurements to determine the increment of oxygen over time during daylight hours to measure NCP. Together with the O2 concentration decrease during the night (due to community respiration), this method also allows us to derive gross oxygen production rates. The results of these two methods are compared.

  3. Oxygen consumption rates in subseafloor basaltic crust derived from a reaction transport model.

    PubMed

    Orcutt, Beth N; Wheat, C Geoffrey; Rouxel, Olivier; Hulme, Samuel; Edwards, Katrina J; Bach, Wolfgang

    2013-01-01

    Oceanic crust is the largest potential habitat for life on Earth and may contain a significant fraction of Earth's total microbial biomass; yet, empirical analysis of reaction rates in basaltic crust is lacking. Here we report the first assessment of oxygen consumption in young (~8?Ma) and cool (<25?°C) basaltic crust, which we calculate from modelling dissolved oxygen and strontium pore water gradients in basal sediments collected during Integrated Ocean Drilling Program Expedition 336 to 'North Pond' on the western flank of the Mid-Atlantic Ridge. Dissolved oxygen is completely consumed within the upper to middle section of the sediment column, with an increase in concentration towards the sediment-basement interface, indicating an upward supply from oxic fluids circulating within the crust. A parametric reaction transport model of oxygen behaviour in upper basement suggests oxygen consumption rates of 1?nmol? cm(-3)ROCK d(-1) or less in young and cool basaltic crust. PMID:24071791

  4. Assessment of Strain-Generated Oxygen Vacancies Using SrTiO3 Bicrystals.

    PubMed

    Choi, Si-Young; Kim, Sung-Dae; Choi, Minseok; Lee, Hak-Sung; Ryu, Jungho; Shibata, Naoya; Mizoguchi, Teruyasu; Tochigi, Eita; Yamamoto, Takahisa; Kang, Suk-Joong L; Ikuhara, Yuichi

    2015-06-10

    Atomic-scale defects strongly influence the electrical and optical properties of materials, and their impact can be more pronounced in localized dimensions. Here, we directly demonstrate that strain triggers the formation of oxygen vacancies in complex oxides by examining the tilt boundary of SrTiO3 bicrystals. Through transmission electron microscopy and electron energy loss spectroscopy, we identify strains along the tilt boundary and oxygen vacancies in the strain-imposed regions between dislocation cores. First-principles calculations support that strains, irrespective of their type or sign, lower the formation energy of oxygen vacancies, thereby enhancing vacancy formation. Finally, current-voltage measurements confirm that such oxygen vacancies at the strained boundary result in a decrease of the nonlinearity of the I-V curve as well as the resistivity. Our results strongly indicate that oxygen vacancies are preferentially formed and are segregated at the regions where strains accumulate, such as heterogeneous interfaces and grain boundaries. PMID:26000901

  5. Radioactive Decay Calculator

    NSDL National Science Digital Library

    Alan Enns

    This online calculator computes radioactive decay, timed decay, and timed solid disposal for a databank containing 116 isotopes. It also features University of British Columbia disposal limits and a unit converter and date/time calculators. These tools calculate the half-life for selected isotopes; radioactive decay final activity, given the initial activity and decay time; the decay time, given the initial and final activities; and the decay time, given the mass of a solid and the initial activity.

  6. Calculator Java Applet

    NSDL National Science Digital Library

    This applet is a handy scientific calculator with the ability to do unit conversions on the fly. When you click on the link below, it will pop up in its own window so you can continue browsing after loading the calculator. The calculator window is resizable and will pop up to your preferred size after you close it once and come back to this page again.

  7. Low marine sulphate and protracted oxygenation of the Proterozoic biosphere.

    PubMed

    Kah, Linda C; Lyons, Timothy W; Frank, Tracy D

    2004-10-14

    Progressive oxygenation of the Earth's early biosphere is thought to have resulted in increased sulphide oxidation during continental weathering, leading to a corresponding increase in marine sulphate concentration. Accurate reconstruction of marine sulphate reservoir size is therefore important for interpreting the oxygenation history of early Earth environments. Few data, however, specifically constrain how sulphate concentrations may have changed during the Proterozoic era (2.5-0.54 Gyr ago). Prior to 2.2 Gyr ago, when oxygen began to accumulate in the Earth's atmosphere, sulphate concentrations are inferred to have been <1 mM and possibly <200 microM, on the basis of limited isotopic variability preserved in sedimentary sulphides and experimental data showing suppressed isotopic fractionation at extremely low sulphate concentrations. By 0.8 Gyr ago, oxygen and thus sulphate levels may have risen significantly. Here we report large stratigraphic variations in the sulphur isotope composition of marine carbonate-associated sulphate, and use a rate-dependent model for sulphur isotope change that allows us to track changes in marine sulphate concentrations throughout the Proterozoic. Our calculations indicate sulphate levels between 1.5 and 4.5 mM, or 5-15 per cent of modern values, for more than 1 Gyr after initial oxygenation of the Earth's biosphere. Persistence of low oceanic sulphate demonstrates the protracted nature of Earth's oxygenation. It links biospheric evolution to temporal patterns in the depositional behaviour of marine iron- and sulphur-bearing minerals, biological cycling of redox-sensitive elements and availability of trace metals essential to eukaryotic development. PMID:15483609

  8. Methods for separating oxygen from oxygen-containing gases

    DOEpatents

    Mackay, Richard (Lafayette, CO); Schwartz, Michael (Boulder, CO); Sammells, Anthony F. (Boulder, CO)

    2000-01-01

    This invention provides mixed conducting metal oxides particularly useful for the manufacture of catalytic membranes for gas-phase oxygen separation processes. The materials of this invention have the general formula: A.sub.x A'.sub.x A".sub.2-(x+x') B.sub.y B'.sub.y B".sub.2-(y+y') O.sub.5+z ; where x and x' are greater than 0; y and y' are greater than 0; x+x' is less than or equal to 2; y+y' is less than or equal to 2; z is a number that makes the metal oxide charge neutral; A is an element selected from the f block lanthanide elements; A' is an element selected from Be, Mg, Ca, Sr, Ba and Ra; A" is an element selected from the f block lanthanides or Be, Mg, Ca, Sr, Ba and Ra; B is an element selected from the group consisting of Al, Ga, In or mixtures thereof; and B' and B" are different elements and are independently selected from the group of elements Mg or the d-block transition elements. The invention also provides methods for oxygen separation and oxygen enrichment of oxygen deficient gases which employ mixed conducting metal oxides of the above formula. Examples of the materials used for the preparation of the membrane include A.sub.x Sr.sub.x' B.sub.y Fe.sub.y' Co.sub.2-(y+y') O.sub.5+z, where x is about 0.3 to about 0.5, x' is about 1.5 to about 1.7, y is 0.6, y' is between about 1.0 and 1.4 and B is Ga or Al.

  9. Sediment oxygen profiles in a super-oxygenated antarctic lake

    NASA Technical Reports Server (NTRS)

    Wharton, R. A. Jr; Meyer, M. A.; McKay, C. P.; Mancinelli, R. L.; Simmons, G. M. Jr; Wharton RA, J. r. (Principal Investigator)

    1994-01-01

    Perennially ice-covered lakes are found in the McMurdo Dry Valleys of southern Victoria Land, Antarctica. In contrast to temperate lakes that have diurnal photic periods, antarctic (and arctic) lakes have a yearly photic period. An unusual feature of the antarctic lakes is the occurrence of O2 at supersaturated levels in certain portions of the water column. Here we report the first sediment O2 profiles obtained using a microelectrode from a perennially ice-covered antarctic lake. Sediment cores collected in January and October 1987 from Lake Hoare in Taylor Valley show oxygenation down to 15, and in some cases, 25 cm. The oxygenation of sediments several centimeters below the sediment-water interface is atypical for lake sediments and may be characteristic of perennially ice-covered lakes. There is a significant difference between the observed January and October sediment O2 profiles. Several explanations may account for the difference, including seasonality. A time-dependent model is presented which tests the feasibility of a seasonal cycle resulting from the long photoperiod and benthic primary production in sediments overlain by a highly oxygenated water column.

  10. Metastable Oxygen Production by Electron-Impact of Oxygen

    NASA Astrophysics Data System (ADS)

    Hein, J. D.; Malone, C. P.; Johnson, P. V.; Kanik, I.

    2014-12-01

    Electron-impact excitation processes involving atomic and molecular oxygen are important in atmospheric interactions. The production of long-lived metastable O(1S) and O(1D) through electron impact of oxygen-containing molecules plays a significant role in the dynamics of planetary atmospheres (Earth, Mars, Europa, Io, Enceladus) and cometary bodies (Hale-Bopp). The electron-impact excitation channels to O(1S) and O(1D) are important for determining energy partitioning and dynamics. To reliably model natural phenomena and interpret observational data, the accurate determination of underlying collision processes (cross sections, dissociation dynamics) through fundamental experimental studies is essential. The detection of metastable species in laboratory experiments requires a novel approach. Typical radiative de-excitation detection techniques cannot be performed due to the long-lived nature of excited species, and conventional particle detectors are insensitive to the low internal energies O(1S) and O(1D). We have recently constructed an apparatus to detect and characterize metastable oxygen production by electron impact using the "rare gas conversion technique." Recent results will be presented, including absolute excitation functions for target gases O2, CO, CO2, and N2O. This work was performed at the Jet Propulsion Laboratory (JPL), California Institute of Technology, under a contract with the National Aeronautics and Space Administration (NASA). Financial support through NASA's OPR, PATM, and MFRP programs, as well as the NASA Postdoctoral Program (NPP) are gratefully acknowledged.

  11. Chemisorption of atomic and molecular oxygen on Au and Ag cluster anions: discrimination of different isomers

    Microsoft Academic Search

    Y. D. Kim; G. Gantefor; Q. Sun; P. Jena

    2004-01-01

    Structures of coinage metal clusters reacted with atomic and molecular oxygen were studied using Ultraviolet Photoelectron Spectroscopy and Density Functional Theory calculations. We show that O2 partially dissociates on Ag2-, and this dissociative chemisorption is a kinetically hindered step. For Au4O2-, in addition to the previously observed molecularly adsorbed oxygen, we are now able to synthesize a second isomer using

  12. The Role of Oxygen in Coal Gasification

    E-print Network

    Klosek, J.; Smith, A. R.; Solomon, J.

    Air Products supplies oxygen to a number of coal gasification and partial oxidation facilities worldwide. At the high operating pressures of these processes, economics favor the use of 90% and higher oxygen purities. The effect of inerts...

  13. The Role of Oxygen in Coal Gasification 

    E-print Network

    Klosek, J.; Smith, A. R.; Solomon, J.

    1986-01-01

    Air Products supplies oxygen to a number of coal gasification and partial oxidation facilities worldwide. At the high operating pressures of these processes, economics favor the use of 90% and higher oxygen purities. The effect of inerts...

  14. Observations of nitrogen and oxygen isotopes in the low energy cosmic rays. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Vidor, S. B.

    1975-01-01

    The isotopic composition of low-energy nitrogen and oxygen cosmic rays was measured with an electron/isotope spectrometer aboard the IMP-7 satellite to determine the possible source of the particles. Instrument calibration showed the standard range-energy tables to be inadequate to calculate the isotope response, and corrections were obtained. The low-energy nitrogen and oxygen cosmic rays were found to be primarily 14N and 16O. Upper limits were obtained for the abundances of the other stable nitrogen and oxygen isotopes. The nitrogen composition differs from higher energy measurements which indicate that 15N, which is thought to be secondary, is the dominant isotope.

  15. Oxygen-Mass-Flow Calibration Cell

    NASA Technical Reports Server (NTRS)

    Martin, Robert E.

    1996-01-01

    Proposed calibration standard for mass flow rate of oxygen based on conduction of oxygen ions through solid electrolyte membrane made of zirconia and heated to temperature of 1,000 degrees C. Flow of oxygen ions proportional to applied electric current. Unaffected by variations in temperature and pressure, and requires no measurement of volume. Calibration cell based on concept used to calibrate variety of medical and scientific instruments required to operate with precise rates of flow of oxygen.

  16. A Conjunctiva Oxygen Sensor for Transcutaneous Monitoring

    Microsoft Academic Search

    Takanori Sawada; T. Saito; Chu Ming Xing; H. Kudo; H. Saito; K. Otsuka; K. Mitsubayashi

    2006-01-01

    A flexible and thin oxygen sensor was developed for transcutaneous oxygen monitoring at conjunctiva. The wearable oxygen sensor (width: 3 mm, thickness: 84 mum) was fabricated by pouching KCl electrolyte solution between non-permeable membrane and gas-permeable membrane with Pt-and Ag\\/AgCl-electrodes patterned using photolithography and sputtering. This wearable oxygen sensor was applied to electrochemical measurement with a constant voltage of -400

  17. Aerotactic responses in bacteria to photoreleased oxygen

    Microsoft Academic Search

    Hyung Suk Yu; Jimmy H. Saw; Shaobin Hou; Randy W. Larsen; Kylie J. Watts; Mark S. Johnson; Michael A. Zimmer; George W. Ordal; Barry L. Taylor; Maqsudul Alam

    2002-01-01

    Bacterial aerotaxis is a rapid response towards or away from oxygen. Here we report on the use of computer-assisted motion analysis coupled to flash photolysis of caged oxygen to quantify aerotactic responses in bacteria. The caged compound (?-peroxo)(?-hydroxo)bis[bis(bipyridyl) cobalt(III)] perchlorate liberates molecular oxygen upon irradiation with near-UV light. A mixture of cells and the caged oxygen compound was placed in

  18. Aeronautic Instruments. Section VI : Oxygen Instruments

    NASA Technical Reports Server (NTRS)

    Hunt, F L

    1923-01-01

    This report contains statements as to amount of oxygen required at different altitudes and the methods of storing oxygen. The two types of control apparatus - the compressed oxygen type and the liquid oxygen type - are described. Ten different instruments of the compressed type are described, as well as the foreign instruments of the liquid types. The performance and specifications and the results of laboratory tests on all representative types conclude this report.

  19. Rhenium-Oxygen Interactions at High Temperatures

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Myers, Dwight L.; Zhu, Dongming; Humphrey, Donald

    2000-01-01

    The reaction of pure rhenium metal with dilute oxygen/argon mixtures was studied from 600 to 1400 C. Temperature, oxygen pressure, and flow rates were systematically varied to determine the rate-controlling steps. At lower temperatures the oxygen/rhenium chemical reaction is rate limiting; at higher temperatures gas-phase diffusion of oxygen through the static boundary layer is rate limiting. At all temperatures post-reaction microstructures indicate preferential attack along certain crystallographic planes and defects.

  20. Cellular oxygen sensing in health and disease

    Microsoft Academic Search

    David R. Mole; Peter J. Ratcliffe

    2008-01-01

    To avoid localised problems resulting from excess or inadequate oxygen, all cells and tissues have the ability to sense and\\u000a respond to changes in oxygen levels. Despite their rich blood supply, the kidneys have unique properties with respect to oxygen\\u000a that enable them to act as specialised organs, sensing oxygen delivery as well as rendering them prone to hypoxic injury.

  1. hp calculators HP 50g House Payment Calculations

    E-print Network

    Vetter, Frederick J.

    hp calculators HP 50g House Payment Calculations The FINANCE menu House Payments Practice solving house payment calculation problems #12;hp calculators HP 50g House Payment Calculations hp calculators - 2 - HP 50g House Payment Calculations The FINANCE menu The Finance solver is accessed from the WHITE

  2. Calculating centres of mass

    E-print Network

    Vickers, James

    Calculating centres of mass 15.2 Introduction In this section we show how the idea of integration as the limit of a sum can be used to find the centre of mass of an object such as a thin plate completing this Section you should be able to . . . calculate the position of the centre of mass

  3. Statistical Tables Calculator

    NSDL National Science Digital Library

    Dinov, Ivo

    This page, created by Ino Dinov of the University of California, Berkeley, provides distribution calculators for the binomial, normal, Student's T, Chi-square, and Fisher's F distributions. Users set the parameters and enter either the probability or the test statistic and the calculators return the missing value. This is a simple, yet effective, statistical tool for instructors and students.

  4. Heat Loss Calculation Exercise

    NSDL National Science Digital Library

    Garrison, Kirk

    This class exercise from Kirk Garrison is intended for construction students learning about home insulation and heating. The class will learn to calculate heat loss in a home by using an online home heat loss calculator. This exercise document includes student worksheets. This document may be downloaded in PDF file format.

  5. Calculators and Unary Operations.

    ERIC Educational Resources Information Center

    Weaver, J. F.

    1981-01-01

    Suggests and illustrates ways in which systematic consideration of selected unary operations can be facilitated by using electronic calculators. Emphasis is placed upon unary operations suitable for exploration and investigation at the pre-algebra level, using calculation algorithms as a basis for generating examples and non-examples to develop…

  6. Composite oxygen ion transport element

    DOEpatents

    Chen, Jack C. (Getzville, NY); Besecker, Charles J. (Batavia, IL); Chen, Hancun (Williamsville, NY); Robinson, Earil T. (Mentor, OH)

    2007-06-12

    A composite oxygen ion transport element that has a layered structure formed by a dense layer to transport oxygen ions and electrons and a porous support layer to provide mechanical support. The dense layer can be formed of a mixture of a mixed conductor, an ionic conductor, and a metal. The porous support layer can be fabricated from an oxide dispersion strengthened metal, a metal-reinforced intermetallic alloy, a boron-doped Mo.sub.5Si.sub.3-based intermetallic alloy or combinations thereof. The support layer can be provided with a network of non-interconnected pores and each of said pores communicates between opposite surfaces of said support layer. Such a support layer can be advantageously employed to reduce diffusion resistance in any type of element, including those using a different material makeup than that outlined above.

  7. Oxygen generation subsystem for spacecraft

    NASA Technical Reports Server (NTRS)

    Schubert, F. H.; Burke, K. A.; Quattrone, P. D.

    1981-01-01

    Recovery of oxygen from water will be needed on future long-duration manned space missions. An oxygen generation subsystem (OGS) for NASA based on the alkaline electrolyte, static feed water electrolysis concept. Recent advances in hardware development have resulted in the design, fabrication and testing of a self-contained, one-person capacity OGS (WS-1). This subsystem consists of three major parts: a six-cell electrochemical module to generate the product O2, a coolant control assembly to maintain module temperature and a pressure controller which maintains product gas pressures. The subsystem provides 0. 82 kg/d O2 while operating at a current density of 206 mA/ sq cm, a temperature of 339 K and a pressure of 1240 kPa.

  8. THERMODYNAMIC DATA ON OXYGEN AND NITROGEN

    Microsoft Academic Search

    Brewer

    1961-01-01

    The following data, which were compiled from published literature, are ; presented graphically as a function of temperature and pressure: viscosity of ; nitrogen, viscosity of air, viscosity of saturated liquid (oxygen, nitrogen, and ; mixtures), vapor-liquid equilibrium ratios in oxygennitrogen system, dew points ; in oxygen-nitrogen systems, bubble points in oxygen-nitrogen system, thermal ; conductivity of nitrogen, thermal conductivity

  9. Dense diffusion barrier limiting current oxygen sensors

    Microsoft Academic Search

    Fernando Garzon; Ian Raistrick; Eric Brosha; Robert Houlton; Brandon W. Chung

    1998-01-01

    A new type of miniature amperometric oxygen sensor has been developed. The sensors are high temperature micro-electrochemical devices that use a dense diffusion barrier of a metal oxide that readily transports oxygen and conduct electrons. The diffusion barrier is deposited in thin film form on top of a zirconia-based electrochemical pump. When a voltage is applied to the pump, oxygen

  10. Oxygen sensing by the carotid body chemoreceptors

    Microsoft Academic Search

    NANDURI R. PRABHAKAR

    2000-01-01

    Prabhakar, Nanduri R. Oxygen sensing by the carotid body chemore- ceptors. J Appl Physiol 88: 2287-2295, 2000.—Carotid bodies are sensory organs that detect changes in arterial blood oxygen, and the ensuing reflexes are critical for maintaining homeostasis during hypoxemia. During the past decade, tremendous progress has been made toward understanding the cellular mechanisms underlying oxygen sensing at the carotid body.

  11. Oxygen Detection via Nanoscale Optical Indicators

    E-print Network

    Ghosh, Ruby N.

    dissolved oxygen in the 0.2­17 mg/L range at temperatures of 10-25 °C. The sensor output was validated usingOxygen Detection via Nanoscale Optical Indicators Ruby N. Ghosh Dept. of Physics Michigan State University East Lansing, MI, USA weekschr@msu.edu Abstract--Oxygen plays a ubiquitous role in terrestrial

  12. Oxygen Absorbers for Extension of Crackers Shelflife

    Microsoft Academic Search

    Sigalit Berenzon; I. Sam Saguy

    1998-01-01

    Applicability of oxygen absorbers for extending shelf-life of military ration crackers packaged in hermetically sealed tin cans and stored at 15, 25 and 35 °C for up to 52 weeks was assessed. Lipid oxidation began immediately after baking. Storage temperature was the major factor affecting the rate of oxygen depletion within the can. Residual headspace oxygen of the crackers stored

  13. Liquid and gaseous oxygen safety review

    NASA Technical Reports Server (NTRS)

    Lapin, A.

    1973-01-01

    Materials used in oxygen systems and allowable oxygen environments are specified for each material. Design criteria, cleaning procedures and quality control methods are covered. Guidelines for protection against hazards involved with production, transportation, storage and use of oxygen are presented. Study also lists extensive references.

  14. Recent Advances in Hyperbaric Oxygen Therapy

    Microsoft Academic Search

    Tarun Sahni; S. Hukku; Madhur Jain; Arun Prasad; Rajendra Prasad; Kuldeep Singh

    Hyperbaric Medicine is the fascinating use of barometric pressure for delivering increased oxygen dissolved in plasma to body tissues. Hyperbaric oxygen therapy (HBO) is a form of treatment in which a patient breathes 100% oxygen at higher than normal atmospheric pressure that is greater than 1 atmosphere absolute (ATA). Therapy is given in special therapeutic chambers, which were earlier used

  15. Hyperbaric Oxygen as an Adjuvant for Athletes

    Microsoft Academic Search

    Yoshimasa Ishii; Masataka Deie; Nobuo Adachi; Yuji Yasunaga; Patrick Sharman; Yutaka Miyanaga; Mitsuo Ochi

    2005-01-01

    treatment in sports therapy, especially in Japan. Oxygen naturally plays a crucial role in recovery from injury and physiological fatigue. By performing HBO treatment, more oxygen is dissolved in the plasma of the pulmonary vein via the alveolar, increasing the oxygen reaching the peripheral tissues. HBO treatment is therefore expected to improve recovery from injury and fatigue. HBO treatment has

  16. Nitrogen–Oxygen Phase Diagram

    Microsoft Academic Search

    C. S. Barrett; Lothar Meyer; Sandra C. Greer; J. Wasserman

    1968-01-01

    We have determined the phase diagram for the notrogen–oxygen system by examining the x-ray diffraction patterns of polycrystalline samples of the solidified mixtures over the temperature range 21°–50°K. The diagram exhibits a surprising complexity: a eutectic line divides the liquid and the two-phase region of (?-O2 + ?-N2), and a peritectoid line separates this two-phase region and a new phase,

  17. Autonomous Generator for Technical Oxygen

    Microsoft Academic Search

    A. T. Rosca; V. Stanciu; V. Cimpoiasu; R. Scorei; D. Rosca

    2004-01-01

    The Autonomous Generator of Technical Oxygen(AGTO)has been achieved at ICMET Craiova, in cooperation with ICSI Rm. Valcea. It represents a product finalizing a scientific research theme financed by the romanian Ministry of Education and Research.The AGTO is intended to the brazing, welding and oxygas flame cutting processes, technical fields which can be actually found in all industrial applications. The presented

  18. Oxygen uptake of benthic systems 

    E-print Network

    Priebe, William Franklin

    1972-01-01

    initiated within 24 hours of the sampling time, providing conditions within the bottle which were similar to those actually encountered in the Ship Channel. The sludge was analyzed for total organic carbon (TOC) and chemical oxygen demand (COD) both... before and after test runs ac- cording to the procedure outlined in Standard Methods (44) . A 14 representative sample was tested for heavy metals content using the atomic absorption spectrophotometer (AA), total solids, and volatile solids...

  19. Ammonia-Oxygen Fuel Cell

    Microsoft Academic Search

    E. J. Cairns; E. L. Simons; A. D. Tevebaugh

    1968-01-01

    EARLIER publications have shown that the `Teflon'-bonded platinum black electrodes developed by Niedrach and Alford1 for use in fuel cells with aqueous electrolytes are mechanically stable over a temperature range from 25° to 200° C and perform well with both oxygen and air and with a variety of fuels and electrolytes1-6. This communication presents the initial results that we have

  20. Singlet oxygen reactions with flavonoids. A theoretical-experimental study.

    PubMed

    Morales, Javier; Günther, Germán; Zanocco, Antonio L; Lemp, Else

    2012-01-01

    Detection of singlet oxygen emission, ?(max)?=?1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, k(T), and the reactive reaction rate constant, k(r), for the reaction between singlet oxygen and several flavonoids. Values of k(T) determined in deuterated water, ranging from 2.4×10(7) M(-1) s(-1) to 13.4×10(7) M(-1) s(-1), for rutin and morin, respectively, and the values measured for k(r), ranging from 2.8×10(5) M(-1) s(-1) to 65.7×10(5) M(-1) s(-1) for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid. PMID:22802966

  1. Singlet Oxygen Reactions with Flavonoids. A Theoretical – Experimental Study

    PubMed Central

    Morales, Javier; Günther, Germán; Zanocco, Antonio L.; Lemp, Else

    2012-01-01

    Detection of singlet oxygen emission, ?max?=?1270 nm, following laser excitation and steady-state methods were employed to measure the total reaction rate constant, kT, and the reactive reaction rate constant, kr, for the reaction between singlet oxygen and several flavonoids. Values of kT determined in deuterated water, ranging from 2.4×107 M?1s?1 to 13.4×107 M?1s?1, for rutin and morin, respectively, and the values measured for kr, ranging from 2.8×105 M?1s?1 to 65.7×105 M?1s?1 for kaempferol and morin, respectively, being epicatechin and catechin chemically unreactive. These results indicate that all the studied flavonoids are good quenchers of singlet oxygen and could be valuable antioxidants in systems under oxidative stress, in particular if a flavonoid-rich diet was previously consumed. Analysis of the dependence of rate constant values with molecular structure in terms of global descriptors and condensed Fukui functions, resulting from electronic structure calculations, supports the formation of a charge transfer exciplex in all studied reactions. The fraction of exciplex giving reaction products evolves through a hydroperoxide and/or an endoperoxide intermediate produced by singlet oxygen attack on the double bond of the ring C of the flavonoid. PMID:22802966

  2. Oxygen isotopic ratios in intermediate-mass red giants

    E-print Network

    Lebzelter, Thomas; Hinkle, Kenneth; Nowotny, Walter; Aringer, Bernhard

    2015-01-01

    Context. The abundances of the three main isotopes of oxygen are altered in the course of the CNO-cycle. When the first dredge-up mixes the burning products to the surface, the nucleosynthesis processes can be probed by measuring oxygen isotopic ratios. Aims. By measuring 16O/17O and 16O/18O in red giants of known mass we compare the isotope ratios with predictions from stellar and galactic evolution modelling. Methods. Oxygen isotopic ratios were derived from the K-band spectra of six red giants. The sample red giants are open cluster members with known masses of between 1.8 and 4.5 Msun . The abundance determination employs synthetic spectra calculated with the COMARCS code. The effect of uncertainties in the nuclear reaction rates, the mixing length, and of a change in the initial abundance of the oxygen isotopes was determined by a set of nucleosynthesis and mixing models using the FUNS code. Results. The observed 16O/17O ratios are in good agreement with the model results, even if the measured values do ...

  3. Atmospheric oxygenation caused by a change in volcanic degassing pressure.

    PubMed

    Gaillard, Fabrice; Scaillet, Bruno; Arndt, Nicholas T

    2011-10-13

    The Precambrian history of our planet is marked by two major events: a pulse of continental crust formation at the end of the Archaean eon and a weak oxygenation of the atmosphere (the Great Oxidation Event) that followed, at 2.45?billion years ago. This oxygenation has been linked to the emergence of oxygenic cyanobacteria and to changes in the compositions of volcanic gases, but not to the composition of erupting lavas--geochemical constraints indicate that the oxidation state of basalts and their mantle sources has remained constant since 3.5?billion years ago. Here we propose that a decrease in the average pressure of volcanic degassing changed the oxidation state of sulphur in volcanic gases, initiating the modern biogeochemical sulphur cycle and triggering atmospheric oxygenation. Using thermodynamic calculations simulating gas-melt equilibria in erupting magmas, we suggest that mostly submarine Archaean volcanoes produced gases with SO(2)/H(2)S?

  4. Experimental Effects of Atomic Oxygen on the Development of an Electric Discharge Oxygen Iodine Laser

    E-print Network

    Carroll, David L.

    Experimental Effects of Atomic Oxygen on the Development of an Electric Discharge Oxygen Iodine of the electric discharge iodine laser continues, the role of oxygen atoms downstream of the discharge region of atomic iodine where the O2(a1 ) was produced in a flowing electric discharge. Excess atomic oxygen

  5. Oxygen reduction at the platinum/Nafion{reg_sign} interface: Electrode kinetics and mass transport

    SciTech Connect

    Parthasarathy, A.

    1992-12-31

    Research in solid polymer electrolyte fuel cells is gaining momentum because of the prospects of attaining high energy efficiencies and power densities, essential for transportation and space applications. The most advanced solid polymer electrolytes for these fuel cells are the perfluorosulfonate ionomers (PFSIs) such as duPont`s Naflon and the Dow PFSIs. The high oxygen solubility, chemical stability, proton conductivity and permselectivity exhibited by Naflon and the Dow PFSI`s make them ideal candidates as electrolytes for fuel cells. Furthermore, the minimal anion adsorption on electrodes from fluorinated acids enhances oxygen reduction kinetics. The primary objectives of this work were to determine the concentration and diffusion coefficient of oxygen in Naflon, and the electrode kinetic parameters for the reduction of oxygen at the Pt/Nafion interface under totally solid-state conditions. Cyclic voltammetric and potentiostatic transient measurements were made at the Pt/Nafion interface. Slow sweep voltammograms yielded Tafel parameters for oxygen reduction. From the two-section Tafel, plot, the calculated exchange current densities were found to be higher than those obtained at any other Pt/acid interface. From an analysis of the transients, the values of oxygen solubility and diffusion coefficient in Naflon were determined. Electrochemical impedance spectroscopic (EIS) investigations were then used to study oxygen reduction under lower humidfication conditions. EIS clearly permits the discrimination of electrode kinetics, mass transport of O{sub 2} and the electrical characteristics of the membrane. A temperature-dependence study in the range of 30{degrees}C to 80{degrees}C yielded the activation energy for oxygen reduction at the Pt/Naflon interface. The diffusion coefficient of oxygen in Nafion increases with temperature while its solubility decreases. the pressure-dependence of oxygen reduction kinetics shows that the reaction order of oxygen is unity.

  6. Response of Benthic Foraminiferal Size to Oxygen Concentration in Antarctic Sediment Cores

    NASA Astrophysics Data System (ADS)

    Guo, D.; Keating-Bitonti, C.; Payne, J.

    2014-12-01

    Oxygen availability is important for biological reactions and the demand of oxygen is determined by the size of the organism. Few marine organisms can tolerate low oxygen conditions, but benthic foraminifera, a group of amoeboid protists that are highly sensitive to environmental factors, are known to live in these conditions. Benthic foraminifera may be able to live in oxygen stressed environments by changing the size and shape of their test. Low oxygen concentrations should favor smaller, thinner-shelled, flattened test morphologies. We hypothesize that the volume-to-surface area ratio of benthic foraminifera will decrease with decreasing dissolved oxygen concentrations. To test this hypothesis, we picked two calcareous species (Epistominella exigua and Cassulinoides porrectus) and one agglutinated species (Portatrochammina antarctica) from three sediment cores collected from Explorer's Cove, Antarctica. Starting at the sediment-water interface, each core spans approximately 5-8 cm of depth. Profiles of dissolved oxygen concentrations were measured at the time of collection. At specific depths within the cores, we measured the three dimensions of picked foraminiferal tests using NIS-Elements. We calculated the volume and surface area of the tests assuming the shape of the foraminifers was an ellipsoid. The size trends of E. exigua confirm our hypothesis that the test volume-to-surface area ratios correlate positively with dissolved oxygen concentrations (p-value < 0.001). However, the size trends of the other species refute our hypothesis: P. antarctica shows no correlation and C. porrectus shows a negative correlation (p-value < 0.001) to dissolved oxygen concentrations. Thus, our results show that the change in size in response to variations in dissolved oxygen concentrations is species dependent. Moreover, we find that calcareous species are more sensitive to oxygen fluctuations than agglutinated species.

  7. Metallic filament formation by aligned oxygen vacancies in ZnO-based resistive switches

    SciTech Connect

    Gu, Tingkun, E-mail: gutk@sdu.edu.cn [School of Electrical Engineering, Shandong University, Jinan 250061 (China)

    2014-05-28

    The electronic structure of ZnO with defects of oxygen vacancies were investigated by using first-principles methods. Some structure models were constructed in order to investigate the effects of the distribution of oxygen vacancies on the electronic properties of ZnO. By analyzing the calculated results, we found that only the aligned oxygen vacancies can form the conducting channel in ZnO, and the transformation of the oxygen vacancy from charged state to neutral state is consistent with the energetics rule of the forming aligned oxygen vacancies. As for the heterojunction of Pt/ZnO/Pt, the oxygen vacancies near the interface of Pt/ZnO depress the local Schottky barrier effectively, and the aligned oxygen vacancies in ZnO form a conducting filament connecting two Pt electrodes. The metallic filament formation in Pt/ZnO/Pt resistive switching cells should be closely related to the carrier injection from Pt electrode into ZnO and the arrangement of oxygen vacancies in ZnO slab.

  8. The effect of plutonium dioxide water surface coverage on the generation of hydrogen and oxygen

    SciTech Connect

    Veirs, Douglas K. [Los Alamos National Laboratory; Berg, John M. [Los Alamos National Laboratory; Crowder, Mark L. [Savannah River National Laboratory

    2012-06-20

    The conditions for the production of oxygen during radiolysis of water adsorbed onto plutonium dioxide powder are discussed. Studies in the literature investigating the radiolysis of water show that both oxygen and hydrogen can be generated from water adsorbed on high-purity plutonium dioxide powder. These studies indicate that there is a threshold in the amount of water below which oxygen is not generated. The threshold is associated with the number of monolayers of adsorbed water and is shown to occur at approximately two monolayers of molecularly adsorbed water. Material in equilibrium with 50% relative humidity (RH) will be at the threshold for oxygen generation. Using two monolayers of molecularly adsorbed water as the threshold for oxygen production, the total pressure under various conditions is calculated assuming stoichiometric production of hydrogen and oxygen. The specific surface area of the oxide has a strong effect on the final partial pressure. The specific surface areas resulting in the highest pressures within a 3013 container are evaluated. The potential for oxygen generation is mitigated by reduced relative humidity, and hence moisture adsorption, at the oxide surface which occurs if the oxide is warmer than the ambient air. The potential for oxygen generation approaches zero as the temperature difference between the ambient air and the material approaches 6 C.

  9. Watershed modeling of dissolved oxygen and biochemical oxygen demand using a hydrological simulation Fortran program.

    PubMed

    Liu, Zhijun; Kieffer, Janna M; Kingery, William L; Huddleston, David H; Hossain, Faisal

    2007-11-01

    Several inland water bodies in the St. Louis Bay watershed have been identified as being potentially impaired due to low level of dissolved oxygen (DO). In order to calculate the total maximum daily loads (TMDL), a standard watershed model supported by U.S. Environmental Protection Agency, Hydrological Simulation Program Fortran (HSPF), was used to simulate water temperature, DO, and bio-chemical oxygen demand (BOD). Both point and non-point sources of BOD were included in watershed modeling. The developed model was calibrated at two time periods: 1978 to 1986 and 2000 to 2001 with simulated DO closely matched the observed data and captured the seasonal variations. The model represented the general trend and average condition of observed BOD. Water temperature and BOD decay are the major factors that affect DO simulation, whereas nutrient processes, including nitrification, denitrification, and phytoplankton cycle, have slight impacts. The calibrated water quality model provides a representative linkage between the sources of BOD and in-stream DO\\BOD concentrations. The developed input parameters in this research could be extended to similar coastal watersheds for TMDL determination and Best Management Practice (BMP) evaluation. PMID:17990165

  10. Singlet oxygen in DNA nanotechnology.

    PubMed

    Tørring, Thomas; Helmig, Sarah; Ogilby, Peter R; Gothelf, Kurt V

    2014-06-17

    CONSPECTUS: Singlet oxygen ((1)O2), the first excited electronic state of molecular oxygen, is a significant molecule, despite its minute size. For more than half a century, the molecule has been widely used and studied in organic synthesis, due to its characteristic oxygenation reactions. Furthermore, (1)O2 plays a key role in mechanisms of cell death, which has led to its use in therapies for several types of cancer and other diseases. The high abundance of oxygen in air provides a wonderful source of molecules that can be excited to the reactive singlet state, for example, by UV/vis irradiation of a photosensitizer molecule. Although convenient, this oxygen abundance also presents some challenges for purposes that require (1)O2 to be generated in a controlled manner. In the past decade, we and others have employed DNA nanostructures to selectively control and investigate the generation, lifetime, and reactions of (1)O2. DNA-based structures are one of the most powerful tools for controlling distances between molecules on the nanometer length scale, in particular for systems that closely resemble biological settings, due to their inherent ability to specifically form duplex structures with well-defined and predictable geometries. Here, we present some examples of how simple DNA structures can be employed to regulate (1)O2 production by controlling the behavior of (1)O2-producing photosensitizers through their interactions with independent quencher molecules. We have developed different DNA-based systems in which (1)O2 production can be switched ON or OFF in the presence of specific DNA sequences or by changing the pH of the solution. To further illustrate the interplay between DNA structures and (1)O2, we present three pieces of research, in which (1)O2 is used to activate or deactivate DNA-based systems based on the reaction between (1)O2 and cleavable linkers. In one example, it is demonstrated how a blocked oligonucleotide can be released upon irradiation with light of a specific wavelength. In more complex systems, DNA origami structures composed of more than 200 individual oligonucleotides were employed to study (1)O2 reactions in spatially resolved experiments on the nanoscale. PMID:24712829

  11. Oxygen vacancy motion in perovskite oxides

    SciTech Connect

    Warren, W.L.; Vanheusden, K.; Dimos, D.; Pike, G.E.; Tuttle, B.A. [Sandia National Labs., Albuquerque, NM (United States). Advanced Materials Lab.

    1996-02-01

    Using electron paramagnetic resonance, the motion of oxygen vacancies within the oxygen octahedron in perovskite BaTiO{sub 3} is observed via the alignment of oxygen vacancy-related defect dipoles induced by bias/heat combinations. The vacancy motion is found to have an activation energy of 0.91 eV, in excellent agreement with the predicted. It is found that the onset of resistance degradation is also concurrent with oxygen vacancy motion. This result spectroscopically demonstrates that oxygen vacancy migration in the lattice is likely responsible for the observed degradation.

  12. Stability and Migration of Charged Oxygen Interstitials in ThO2 and CeO2

    SciTech Connect

    Xiao, Haiyan Y.; Zhang, Yanwen; Weber, William J.

    2013-09-30

    Density functional theory calculations have been carried out to study the stability and migration of charged oxygen interstitials in ThO2 and CeO2. The calculations demonstrate that the oxygen interstitial is likely to lose electrons under p-type conditions and gain electrons under n-type conditions. Neutral and singly positive O–O?1 1 0? split interstitials, and doubly negative octahedral () oxygen interstitial are found to be the lowest-energy configurations within a certain Fermi energy range. In both oxides, the is the most mobile, and the migration energies of the split oxygen interstitials in ThO2 are lower than in CeO2, indicating higher oxygen interstitial mobility in ThO2 than in CeO2.

  13. Stability and migration of charged oxygen interstitials in ThO2 and CeO2

    SciTech Connect

    Xiao, Haiyan [University of Tennessee, Knoxville (UTK)] [University of Tennessee, Knoxville (UTK); Zhang, Yanwen [ORNL] [ORNL; Weber, William J [ORNL] [ORNL

    2013-01-01

    Density functional theory calculations have been carried out to study the stability and migration of charged oxygen interstitial in ThO2 and CeO2. The calculations demonstrate that the oxygen interstitial is likely to lose electrons under p-type conditions and gain electrons under n-type conditions. Neutral (Osplit0) and singly positive (Osplit+) O-O<110> split interstitials, and doubly negative octahedral (Oocta.2-) oxygen interstitial are found to be the lowest-energy configurations within a certain Fermi energy range. In both oxides, the Osplit+ is the most mobile, and the migration energies of the split oxygen interstitials in ThO2 are lower than in CeO2, indicating high oxygen interstitial mobility in ThO2 than in CeO2.

  14. ON-LINE CALCULATOR: FORWARD CALCULATION JOHNSON ETTINGER MODEL

    EPA Science Inventory

    On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...

  15. Fluorocarbon-encapsulated oxygen bubbles for blood oxygenation use: An experimental study

    Microsoft Academic Search

    Yasuhiko H. Mori; Keiji Kaminaga; Takashi Ando

    1990-01-01

    This paper is concerned with a novel class of oxygenators which Li and Asher first proposed and called “liquid membrane oxygenators.”\\u000a They are different from usual bubble blood oxygenators in that oxygen bubbles are individually encapsulated by a liquid fluorocarbon\\u000a membrane and dispersed in blood, instead of bare oxygen bubbles normally used. The fluorocarbon membrane's role is to prevent\\u000a direct

  16. Sulfur and oxygen isotopic systematics of the 1982 eruptions of El Chicho??n Volcano, Chiapas, Mexico

    USGS Publications Warehouse

    Rye, R.O.; Luhr, J.F.; Wasserman, M.D.

    1984-01-01

    Thermometers based on sulfur and oxygen isotopic compositions of anhydrite, pyrrhotite, titanomagnetite, and plagioclase crystals from fresh pumices of the 1982 eruptions of El Chicho??n Volcano indicate a pre-eruption temperature of 810 ?? 40??C, confirming textural evidence that the anhydrite precipitated directly from the melt. The isotopic composition of sulfate leached from fresh ashfall samples shows it to be a mixture of anhydrite microphenocrysts and adsorbed sulfate derived from oxidized sulfur (SO2) in the eruption plume. The leachate data show no evidence for rapid oxidation of significant amounts of H2S in the eruption cloud even though the fugacity ratio of H2S/SO2 in the gas phase of the magma was >400. This may indicate kinetic inhibition of H2S to SO2 conversion in the eruption cloud. Prior to eruption, the magma contained an estimated 2.6 wt. % sulfur (as SO3). The estimated ?? 34S of the bulk magma is 5.8???. Such a high value may reflect assimilation of 34S-enriched evaporites or the prior loss of 34S-depleted H2S to a fluid or gas phase during formation of a small prophyry-type hydrothermal system or ore deposit. In either case, the original magma must have been very sulfur rich. It is likely that the initial high sulfur content of the magma and at least some of its 34S enrichment reflects involvement of subducted volcanogenic massive sulfides deposits during Benioff-zone partial melting. Isotopic data on mineralized, accidental lithic fragments support the possible development of a porphyry-type system at El Chicho??n. ?? 1984.

  17. Hybrid fiber optical sensor for determining the oxygen partial pressure and the oxygen flux in biomedical applications

    NASA Astrophysics Data System (ADS)

    Luebbers, Dietrich W.; Koester, Thomas; Holst, Gerhard A.

    1995-05-01

    The development and improvement of oxygen sensors is continuously matter of research because it is important to quantify oxygen concentrations in biological systems. The presented hybrid fiberoptical sensor combines the common advantages of fiber optic sensors e.g. flexible connection to the place of interest and potential separation between place of measurement and measuring device with the special advantage of the optical analysis that does not consume the analyte oxygen. The O2 sensing was tested by using (1) solutions with the dissolved oxygen indicator dye (tris(1,10-phenantroline) ruthenium (II) chloride hexahydrate), and (2) and O2 flux optode. The O2 flux optode consist of an oxygen permeable membrane (test membrane) combined with oxygen optodes to measure the pO2 differences across the membrane. The O2 flux can be calculated from the pO2 gradient across the test membranes and its permeability. The developed measuring systems `FLOX' detects the phase shift between the sinusoidally modulated excitation light and the resulting fluorescence of the indicator. The phase shift is caused by the fluorescence lifetime that depends on the oxygen concentration. Many investigations have shown that measurements of lifetime are preferable to measurements of intensity because of higher stability. The FLOX system uses a blue light emitting diode (LED, (lambda) peak equals 450 nm) as light source together with optical filters and a photo multiplier tube as detector. The coupling between the place of measurement and the FLOX is performed by a bifurcated fiber bundle in which single multimode fibers are statistically mixed. Its measuring end could be either immersed directly in an aqueous solution of the fluorophore or provided with a special sensor head for the measurement of the oxygen flux into a surface, for example into the surface of the human skin. First measurements demonstrated the applicability of the FLOX system to measure the O2 flux into human skin; for example an about 20 - 50% increase of the O2 flux after stop of the circulation could be clearly shown.

  18. Influence of tissue metabolism and capillary oxygen supply on arteriolar oxygen transport: a computational model

    PubMed Central

    Moschandreou, T.E.; Ellis, C.G.; Goldman, D.

    2011-01-01

    We present a theoretical model for steady-state radial and longitudinal oxygen transport in arterioles containing flowing blood (plasma and red blood cells) and surrounded by living tissue. This model combines a detailed description of convective and diffusive oxygen transport inside the arteriole with a novel boundary condition at the arteriolar lumen surface, and the results provide new mass transfer coefficients for computing arteriolar O2 losses based on far-field tissue O2 tension and in the presence of spatially distributed capillaries. A numerical procedure is introduced for calculating O2 diffusion from an arteriole to a continuous capillary-tissue matrix immediately adjacent to the arteriole. The tissue O2 consumption rate is assumed to be constant and capillaries act as either O2 sources or sinks depending on the local O2 environment. Using the model, O2 saturation (SO2) and tension (PO2) are determined for the intraluminal region of the arteriole, as well as for the extraluminal region in the neighbouring tissue. Our model gives results that are consistent with available experimental data and previous intraluminal transport models, including appreciable radial decreases in intraluminal PO2 for all vessel diameters considered (12–100µm) and slower longitudinal decreases in PO2 for larger vessels than for smaller ones, and predicts substantially less diffusion of O2 from arteriolar blood than do models with PO2 specified at the edge of the lumen. The dependence of the new mass transfer coefficients on vessel diameter, SO2 and far-field PO2 is calculated allowing their application to a wide range of physiological situations. This novel arteriolar O2 transport model will be a vital component of future integrated models of microvascular regulation of O2 supply to capillary beds and the tissue regions they support. PMID:21439980

  19. Oxygen Transport Studies in Nanocrystalline Ceria Films

    SciTech Connect

    Saraf, Laxmikant V.; Wang, Chong M.; Shutthanandan, V.; Zhang, Yanwen; Marina, Olga A.; Baer, Donald R.; Thevuthasan, Suntharampillai; Nachimuthu, Ponnusamy; Lindle, Dennis W.

    2005-05-01

    Oxygen uptake and conductivity were measured by nuclear reaction analysis and ac impedance technique at the intermediate temperature range on sol-gel grown nanocrystalline ceria films with average grain-sizes 7 nm and 38 nm synthesized at 723 K and 1173 K, respectively. Higher oxygen uptake and lower ionic conductivity are observed in ceria films with {approx}7 nm grain-size. High permeation-assisted oxygen diffusion in nanocrystallites combined with oxygen trapping in the disordered region contributes in higher oxygen uptake. However the lower ionic conductivity in the film results from absence of long-range lattice ordering. Relationship between oxygen uptake and conductivity in ceria is discussed in details by considering grain-size dependent defect density, related surface area and enhanced oxygen mobility.

  20. AJ Geometric Formulas Calculator

    NSDL National Science Digital Library

    Jimmy Raymond

    Solve various attributes of shapes and solids. Includes calculations for circle, parallelogram, rectangle, square, trapezoid, right circular cone, right circular cylinder, rectangular solid, and sphere geometric formulas. Geometry attributes include volume, area, perimeter, surface area, radius, length and circumference.

  1. PHYSICOCHEMICAL PROPERTY CALCULATIONS

    EPA Science Inventory

    Computer models have been developed to estimate a wide range of physical-chemical properties from molecular structure. The SPARC modeling system approaches calculations as site specific reactions (pKa, hydrolysis, hydration) and `whole molecule' properties (vapor pressure, boilin...

  2. Hydrogen Solution Calculator

    NSDL National Science Digital Library

    David Joiner

    This calculator prints the closed form solution of the hydrogen wave function for given energy states. In addition, closed form expressions for the Associated Legendre Functions and Laguerre Polynomials (radial solution of hydrogen wave function) are included.

  3. Healthy Body Calculator

    NSDL National Science Digital Library

    Joanne Larsen, MS, RD, LD

    2007-12-12

    This is a very complete interactive health calculator that incorporates a variety of health variables. Users input weight, height, body mass index, activity, and hours of sleep to get a very complete health profile and explanation of each evaluation.

  4. The CIPW Normative Calculation.

    ERIC Educational Resources Information Center

    Bickel, Charles

    1979-01-01

    The author has rewritten rules for CIPW norm calculation and has written FORTRAN IV programs to assist the student in this procedure. Includes a set of problems utilizing the CIPW norm to illustrate principles of chemical petrology. (MA)

  5. Activities for Calculators.

    ERIC Educational Resources Information Center

    Hiatt, Arthur A.

    1987-01-01

    Ten activities that give learners in grades 5-8 a chance to explore mathematics with calculators are provided. The activity cards involve such topics as odd addends, magic squares, strange projects, and conjecturing rules. (MNS)

  6. Density functional calculations on model tyrosyl radicals.

    PubMed Central

    Himo, F; Gräslund, A; Eriksson, L A

    1997-01-01

    A gradient-corrected density functional theory approach (PWP86) has been applied, together with large basis sets (IGLO-III), to investigate the structure and hyperfine properties of model tyrosyl free radicals. In nature, these radicals are observed in, e.g., the charge transfer pathways in photosystem II (PSII) and in ribonucleotide reductases (RNRs). By comparing spin density distributions and proton hyperfine couplings with experimental data, it is confirmed that the tyrosyl radicals present in the proteins are neutral. It is shown that hydrogen bonding to the phenoxyl oxygen atom, when present, causes a reduction in spin density on O and a corresponding increase on C4. Calculated proton hyperfine coupling constants for the beta-protons show that the alpha-carbon is rotated 75-80 degrees out of the plane of the ring in PSII and Salmonella typhimurium RNR, but only 20-30 degrees in, e.g., Escherichia coli, mouse, herpes simplex, and bacteriophage T4-induced RNRs. Furthermore, based on the present calculations, we have revised the empirical parameters used in the experimental determination of the oxygen spin density in the tyrosyl radical in E. coli RNR and of the ring carbon spin densities, from measured hyperfine coupling constants. Images FIGURE 1 FIGURE 5 PMID:9083661

  7. Spreadsheet calculates oil

    SciTech Connect

    Boone, D.M

    1989-05-01

    This article describes a Lotus 1-2-3 spreadsheet program designed to run on a IBM-compatible computer and aid the reservoir engineer in making every day calculations. It is called OILMBE. The OILMBE program performs the material balance calculation for an oil reservoir and makes use of extensive algorithms to help estimate reservoir fluid properties. The program is a Lotus spreadsheet that runs within the Lotus Corp.'s 1-2-3 spreadsheet program.

  8. Calculating a Biodiversity Index

    NSDL National Science Digital Library

    In this Biodiversity Counts activity, students learn how scientists calculate a biodiversity index using a page from the phone book as their data source. The printable five-page PDF handout includes a series of inquiry-based questions to get students thinking about what they already know about biodiversity and how living and non-living things are connected, step-by-step directions for calculating a biodiversity index, and a worksheet that includes brainstorming questions and areas for recording answers.

  9. Systematics and limit calculations

    SciTech Connect

    Fisher, Wade; /Fermilab

    2006-12-01

    This note discusses the estimation of systematic uncertainties and their incorporation into upper limit calculations. Two different approaches to reducing systematics and their degrading impact on upper limits are introduced. An improved {chi}{sup 2} function is defined which is useful in comparing Poisson distributed data with models marginalized by systematic uncertainties. Also, a technique using profile likelihoods is introduced which provides a means of constraining the degrading impact of systematic uncertainties on limit calculations.

  10. A Cabin Air Separator for EVA Oxygen

    NASA Technical Reports Server (NTRS)

    Graf, John C.

    2011-01-01

    Presently, the Extra-Vehicular Activities (EVAs) conducted from the Quest Joint Airlock on the International Space Station use high pressure, high purity oxygen that is delivered to the Space Station by the Space Shuttle. When the Space Shuttle retires, a new method of delivering high pressure, high purity oxygen to the High Pressure Gas Tanks (HPGTs) is needed. One method is to use a cabin air separator to sweep oxygen from the cabin air, generate a low pressure/high purity oxygen stream, and compress the oxygen with a multistage mechanical compressor. A main advantage to this type of system is that the existing low pressure oxygen supply infrastructure can be used as the source of cabin oxygen. ISS has two water electrolysis systems that deliver low pressure oxygen to the cabin, as well as chlorate candles and compressed gas tanks on cargo vehicles. Each of these systems can feed low pressure oxygen into the cabin, and any low pressure oxygen source can be used as an on-board source of oxygen. Three different oxygen separator systems were evaluated, and a two stage Pressure Swing Adsorption system was selected for reasons of technical maturity. Two different compressor designs were subjected to long term testing, and the compressor with better life performance and more favorable oxygen safety characteristics was selected. These technologies have been used as the basis of a design for a flight system located in Equipment Lock, and taken to Preliminary Design Review level of maturity. This paper describes the Cabin Air Separator for EVA Oxygen (CASEO) concept, describes the separator and compressor technology trades, highlights key technology risks, and describes the flight hardware concept as presented at Preliminary Design Review (PDR)

  11. Sounding rocket observation of a hot atomic oxygen geocorona

    NASA Technical Reports Server (NTRS)

    Cotton, Daniel M.; Gladstone, G. Randall; Chakrabarti, Supriya

    1993-01-01

    A sounding rocket measurement of the ultraviolet, atomic oxygen dayglow reveals an excess of emission compared to standard thermospheric model calculations at exospheric altitudes. We explore two explanations for this discrepancy: a breakdown of the radiative transfer model due to nonlocal thermal equilibrium (non-LTE) conditions above the exobase and a hot atomic oxygen geocorona. In particular, the effects of non-LTE on the 3P2, 1, 0 sublevel populations are modeled, and a hot O component in the upper thermosphere and lower exosphere is added to investigate the effects on the modeled emissions. For both cases, the data are reanalyzed and compared with the results using a standard LTE model. A hot O geocorona having a peak density of 10(exp 6)/cc at 550 km and a temperature of 4000 K is consistent with the data and appears to be the most reasonable explanation of the high-altitude enhanced emissions observed in the data.

  12. Exploring monovalent copper compounds with oxygen and hydrogen

    PubMed Central

    Korzhavyi, Pavel A.; Soroka, Inna L.; Isaev, Eyvaz I.; Lilja, Christina; Johansson, Börje

    2012-01-01

    New important applications of copper metal, e.g., in the areas of hydrogen production, fuel cell operation, and spent nuclear fuel disposal, require accurate knowledge of the physical and chemical properties of stable and metastable copper compounds. Among the copper(I) compounds with oxygen and hydrogen, cuprous oxide Cu2O is the only one stable and the best studied. Other such compounds are less known (CuH) or totally unknown (CuOH) due to their instability relative to the oxide. Here we combine quantum-mechanical calculations with experimental studies to search for possible compounds of monovalent copper. Cuprous hydride (CuH) and cuprous hydroxide (CuOH) are proved to exist in solid form. We establish the chemical and physical properties of these compounds, thereby filling the existing gaps in our understanding of hydrogen- and oxygen-related phenomena in Cu metal. PMID:22219370

  13. Quenching of spectroscopic factors for proton removal in oxygen isotopes

    E-print Network

    Ø. Jensen; G. Hagen; M. Hjorth-Jensen; B. Alex Brown; A. Gade

    2011-04-08

    We present microscopic coupled-cluster calculations of the spectroscopic factors for proton removal from the closed-shell oxygen isotopes $^{14,16,22,24,28}$O with the chiral nucleon-nucleon interaction at next-to-next-to-next-to-leading order. We include coupling-to-continuum degrees of freedom by using a Hartree-Fock basis built from a Woods-Saxon single-particle basis. This basis treats bound and continuum states on an equal footing. We find a significant quenching of spectroscopic factors in the neutron-rich oxygen isotopes, pointing to enhanced many-body correlations induced by strong coupling to the scattering continuum above the neutron emission thresholds.

  14. Photochemistry. Evidence for direct molecular oxygen production in CO? photodissociation.

    PubMed

    Lu, Zhou; Chang, Yih Chung; Yin, Qing-Zhu; Ng, C Y; Jackson, William M

    2014-10-01

    Photodissociation of carbon dioxide (CO2) has long been assumed to proceed exclusively to carbon monoxide (CO) and oxygen atom (O) primary products. However, recent theoretical calculations suggested that an exit channel to produce C + O2 should also be energetically accessible. Here we report the direct experimental evidence for the C + O2 channel in CO2 photodissociation near the energetic threshold of the C((3)P) + O2(X(3)?(g)(-)) channel with a yield of 5 ± 2% using vacuum ultraviolet laser pump-probe spectroscopy and velocity-map imaging detection of the C((3)PJ) product between 101.5 and 107.2 nanometers. Our results may have implications for nonbiological oxygen production in CO2-heavy atmospheres. PMID:25278605

  15. Chemistry - Oxygen Vacancies and Catalysis on Ceria Surfaces

    SciTech Connect

    Campbell, Charles T.; Peden, Charles HF.

    2005-07-29

    Chemistry occurring at the surface of metal oxides is critical in a variety of industrial applications including catalysis and photocatalysis, optical display technology, solar energy devices and corrosion prevention. Defects have long been recognized to be the most reactive sites on the surfaces of many oxide materials. The most common types of defects present on the surfaces of metal oxides are oxygen vacancies and step edges. The nature of surface oxygen vacancies, and their number, distribution and diffusion across the surface of oxides, are thus issues of major scientific importance. One of the most interesting oxides in this respect is CeO2, since oxygen vacancies play the key role in giving this material it's industrially important ''oxygen-storage capacity''. This capacity makes modern automotive exhaust treatment catalysts containing CeO2 much more effective than their predecessors without CeO2. Ceria is also well known as a support which enhances the performance of transition metal catalysts, relative to other oxide supports, in a variety of other reactions including water-gas shift, steam reforming of oxygenates and PROX 1-7, all of which hold promise for enabling a hydrogen economy 1. Related to ceria's facile redox capacity (ability to rapidly form and eliminate oxygen vacancy defects) is the poorly understood observation that some less reducible oxides, such as zirconia (ZrO2), are used as additives that actually enhance this ''oxygen storage'' property of CeO2. In this issue, Esch and coworkers in Trieste, Italy report an exciting study that for the first time clearly elucidates the structure, distribution and formation of oxygen vacancies on a cerium oxide surface 8. They have elegantly combined beautiful, atomic-resolution imaging using scanning-tunneling microscopy (STM) on a ceria surface with state-of-the-art quantum mechanical calculations using Density Functional Theory (DFT) to raise our understanding of CeO2 surfaces to a much higher level. They show that surface oxygen vacancies on CeO2(111) are immobile at room temperature, but at higher temperatures linear clusters of these vacancies are formed which expose exclusively Ce3+ ions to gas-phase reactants. The resulting exposed Ce3+ ions are thus grouped into rather large ensembles, with the sites immediately adjacent to these vacancy clusters remaining as pure Ce4+ ions. The authors further show that one subsurface oxygen vacancy is required to nucleate each such vacancy cluster. Guided by this knowledge, they performed DFT calculations that suggest an exciting new explanation for the role of Zr promoters in ceria-based catalysts: to enable growth of these linear vacancy chains without the need for a subsurface vacancy, which is energetically more costly. It should be noted that Namai et al. 9,10 also recently reported such linear vacancy clusters on CeO2(111), for which Esch et al. now provide much needed atomic-level structural detail.

  16. Quantum Chemical Design of Doped Ca2MnAlO5+? as Oxygen Storage Media.

    PubMed

    Ling, Chen; Zhang, Ruigang; Jia, Hongfei

    2015-07-01

    Brownmillerite Ca2MnAlO5 has an exceptional capability to robustly adsorb half-molecules of oxygen and form Ca2MnAlO5.5. To utilize this unique property to regulate oxygen-involved reactions, it is crucial to match the oxygen release-intake equilibrium with targeted reaction conditions. Here we perform a comprehensive investigation of the strategy of tuning the oxygen storage property of Ca2MnAlO5 through chemical doping. For undoped Ca2MnAlO5+?, our first-principles calculation predicts that the equilibrium temperature at a pressure of 1 atm of O2 is 848 K, which is in excellent agreement with experimental results. Furthermore, the doping of alkaline earth ions at the Ca site, trivalent ions at the Al site, and 3d transition metal ions at the Mn site is analyzed. By the doping of 12.5% of Ga, V, and Ti, the equilibrium temperature shifts to high values by approximately 110-270 K, while by the doping of 12.5% of Fe, Sr, and Ba, the equilibrium temperature is lowered by approximately 20-210 K. The doping of these elements is thermodynamically stable, and doping other elements including Mg, Sc, Y, Cr, Co, and Ni generates metastable compounds. The doping of a higher content of Fe, however, lowers the oxygen storage capacity. Finally, on the basis of our calculated data, we prove that the formation energetics of nondilute interacting oxygen vacancy in doped Ca2MnAlO5.5 scale linearly with a simple descriptor, the oxygen p-band position relative to the Fermi level. The higher-oxygen p-band position leads to a lower vacancy formation energy and thus a lower oxygen release temperature. Understanding such a relationship between fundamental quantum chemical properties and macroscopic properties paves the road to the design and optimization of novel functional oxides. PMID:26066573

  17. Metastable Oxygen Production by Electron-Impact of Oxygen

    NASA Astrophysics Data System (ADS)

    Hein, J. D.; Malone, C. P.; Kanik, I.; Johnson, P. V.

    2013-12-01

    Electron-impact excitation processes involving atomic and molecular oxygen are important in atmospheric interactions. The production of long-lived metastable O(1S) and O(1D) through electron impact of atomic O and molecular O2 play a significant role in the dynamics of oxygen-containing atmospheres (Earth, Europa, Io). Emissions from metastable O (1S ? 1D) produce the well-recognized green light from terrestrial aurora. Electron-impact excitation to 1S and 1D are sensitive channels for determining energy partitioning and dynamics from space weather. Electron-impact excitation cross sections determined through fundamental experimental studies are necessary for modeling of natural phenomena and observation data. The detection of metastable states in laboratory experiments requires a novel approach, since typical detection techniques (e.g., fluorescence by radiative de-excitation) cannot be performed due to the long-lived nature of the excited species. In this work, metastable O is incident on a cryogenically cooled rare gas matrix, where excimer production and subsequent rapid radiative de-excitation provides measurable signal that is directly related to the originating electron-impact excitation process.

  18. Measuring Oxygen Isotopes with COSIMA

    NASA Astrophysics Data System (ADS)

    Paquette, J. A.; Engrand, C.; Stenzel, O.; Hilchenbach, M.

    2014-12-01

    Oxygen isotopes in a variety of solar system solids show non-mass-dependent fractionation, i.e. are fractionated along a slope = 1 line in a three isotope plot, rather than the equilibrium fractionation line whose slope is close to 0.5 (Clayton, 1973). Many models have been put forward to explain this observation, such as galactic chemical evolution (Clayton, 1988), photochemical self-shielding (Thiemens and Jackson, 1987; Clayton, 2002; Yurimoto and Kuramoto, 2004; Lyons and Young, 2005), quantum chemical explanations (Hathorn and Marcus, 1999, 2000; Gao and Marcus, 2002; Marcus, 2004), the processing of solids via nebular lightning (Nuth et al, 2011), and others. Some of the models were invalidated when the Genesis results showed that the oxygen isotopic fractionation of solar wind (and hence of the Sun) was relatively much richer in 16O than such bodies as the Earth or the Moon. Whatever the process that produced non-mass-dependent fractionation in some chondrules and calcium aluminum inclusions, its signature may also be detectable in other solar system solids. If at least some cometary dust was produced in the inner nebula and only later transported outward to be incorporated into comets, then such dust may also show some degree of non-mass-dependent fractionation. The COSIMA instrument on the Rosetta spacecraft (Kissel et al 2009) is a secondary ion mass spectrometer designed to measure the composition of cometary dust. Using calibration data from the COSIMA reference model and flight data if possible, measurement all three isotopes of oxygen will be attempted, and the results compared to other solar system bodies.

  19. Oxygen isotope systematics of eclogite mineral phases from South Africa

    NASA Astrophysics Data System (ADS)

    Caporuscio, F. A.

    1990-11-01

    Eleven eclogite xenoliths from the Bobbejaan and Roberts Victor mines, South Africa have been characterized by a variety of geochemical techniques. The samples include nine bimineralic eclogites and two grospydites that span the range of mantle eclogite major element compositions. Primary phase end-member compositions range from Py 75Al 16Gr 09, Jd 18Di 82CaEs 0 to Py 28Al 21Gr 51, Jd 49Di 36CaEs 15. Oxygen isotope analyses of mineral separates were performed for clinopyroxene and garnet. Isotopic values ( ?18O) range from +4.0 to +7.8 for clinopyroxene and +3.6 to +7.2 for garnet. Differences in isotopic values between the primary phases ( ? = clinopyroxene minus garnet) range in value from -0.6 to 0.6. Although oxygen isotopes are not expected to fractionate at mantle temperatures, the anion electrostatic site potential values determined by Smyth (1989) are consistent with small degrees of fractionation in the mantle. Oxygen isotope fractionation between minerals may be calculated by the equation of Smyth and Clayton ( F= {A×10 6}/{T 2}, where A=0.7911 eV). Fractionation values at 1300°K range from 0.6 (Jd-Pyr) to 0.03 (CaTs-Grs), while at 1600°K these values are between 0.39 and 0.02, respectively. The re-equilibration temperatures of the studied eclogite suite are 1050 to 1250°C at 30 kbar, therefore the obtained differences between the mineral phases are consistent with the calculated isotope fractionation values. The data obtained for eclogite oxygen isotopes suggest that 18O may fractionate to a small extent at mantle PT-conditions.

  20. D0 Detector Assemble Hall Platform Oxygen Deficiency Hazard Analysis

    SciTech Connect

    Clark, D.; Michael, J.; /Fermilab

    1991-01-29

    Liquid cryogens, released and warming to atmosphere conditions, expand to, on average, seven hundred times their liquid volume, and displace vital atmospheric oxygen. An oxygen deficiency hazard analysis assesses the increased risk to personnel in areas containing cryogenic systems. The D0 detector platform area ODH analysis has been approached four different ways using established methods. In each case, the analysis shows the platform area to be ODH class 0 as equipped (with ventilation fans) and requiring no special safety provisions. System designers have provided for a reduced oxygen level detection and warning system as well as emergency procedures to address fault conditions. The Oxygen Deficiency Hazard of any particular area is defined by these parameters: the nature of the accidental supply of inert gas (probability of occurrence and quantity then released), the area's volume, the area's ventilation rate, and to a small degree the elevation of the area. Once this information is assembled, the ODH classification can be determined through standardized calculations. The platform area under the D0 detector contains much of the cryogenic and gas system piping necessary for the D0 experiment. Prior to moving the detector into the Collision Hall, the liquid argon calorimeters are cooled down and operated in the Assembly Hall. The first phase of this operation involved the cooldown of the Central Calorimeter, which was done in February 1991. This engineering note assesses the increased risk to personnel in the platform level to a reduced oxygen atmosphere during the cool down and subsequent operation of the calorimeters in the Assembly Hall. In addition, it outlines the steps taken to warn personnel of an emergency and to direct the subsequent evacuation. This note analyses only the Assembly Hall area. A similar engineering note, EN-332, covers the analysis of the Collision Hall area.

  1. Steroids, triterpenoids and molecular oxygen

    PubMed Central

    Summons, Roger E; Bradley, Alexander S; Jahnke, Linda L; Waldbauer, Jacob R

    2006-01-01

    There is a close connection between modern-day biosynthesis of particular triterpenoid biomarkers and presence of molecular oxygen in the environment. Thus, the detection of steroid and triterpenoid hydrocarbons far back in Earth history has been used to infer the antiquity of oxygenic photosynthesis. This prompts the question: were these compounds produced similarly in the past? In this paper, we address this question with a review of the current state of knowledge surrounding the oxygen requirement for steroid biosynthesis and phylogenetic patterns in the distribution of steroid and triterpenoid biosynthetic pathways. The hopanoid and steroid biosynthetic pathways are very highly conserved within the bacterial and eukaryotic domains, respectively. Bacteriohopanepolyols are produced by a wide range of bacteria, and are methylated in significant abundance at the C2 position by oxygen-producing cyanobacteria. On the other hand, sterol biosynthesis is sparsely distributed in distantly related bacterial taxa and the pathways do not produce the wide range of products that characterize eukaryotes. In particular, evidence for sterol biosynthesis by cyanobacteria appears flawed. Our experiments show that cyanobacterial cultures are easily contaminated by sterol-producing rust fungi, which can be eliminated by treatment with cycloheximide affording sterol-free samples. Sterols are ubiquitous features of eukaryotic membranes, and it appears likely that the initial steps in sterol biosynthesis were present in their modern form in the last common ancestor of eukaryotes. Eleven molecules of O2 are required by four enzymes to produce one molecule of cholesterol. Thermodynamic arguments, optimization of function and parsimony all indicate that an ancestral anaerobic pathway is highly unlikely. The known geological record of molecular fossils, especially steranes and triterpanes, is notable for the limited number of structural motifs that have been observed. With a few exceptions, the carbon skeletons are the same as those found in the lipids of extant organisms and no demonstrably extinct structures have been reported. Furthermore, their patterns of occurrence over billion year time-scales correlate strongly with environments of deposition. Accordingly, biomarkers are excellent indicators of environmental conditions even though the taxonomic affinities of all biomarkers cannot be precisely specified. Biomarkers are ultimately tied to biochemicals with very specific functional properties, and interpretations of the biomarker record will benefit from increased understanding of the biological roles of geologically durable molecules. PMID:16754609

  2. Oxygen scavengers - The chemistry of sulfite under hydrothermal conditions

    Microsoft Academic Search

    1987-01-01

    Control of oxygen corrosion is critical to the reliability of steam generator systems. Mechanical deaeration and chemical oxygen scavenging effectively reduce oxygen levels in boiler feedwater systems. This paper reviews the use of sulfites to reduce oxygen and provide corrosion control throughout the boiler feedwater circuit as well as mechanical and operational oxygen reduction methods. The mechanism of oxygen pitting,

  3. Measuring tissue oxygen saturation using NIR spectroscopy

    NASA Astrophysics Data System (ADS)

    Sircan-Kucuksayan, Aslinur; Uyuklu, Mehmet; Canpolat, Murat

    2014-05-01

    Tissue oxygen saturation (StO2) is known quite useful parameter for medical applications. A spectroscopic method has been developed to diagnose pathologic tissues due to lack of normal blood circulation by measuring tissue oxygen saturation. In the study, human blood samples with different level of oxygen saturations have been prepared and spectra were taken using an optical fiber probe to investigate correlation between the oxygen saturations and the spectra. The experimental set up for the spectroscopic measurements was consists of a miniature NIR light spectrometer, an optical fiber probe, a halogen-tungsten light source and a laptop. A linear correlation between the oxygen saturation of the blood samples and the ratio of the light of wavelengths 660 nm to 790 nm has been found from the spectra. Then, oxygen saturations of the blood samples were estimated from the spectroscopic measurements within an error of 2.9%. Furthermore, it has been shown that the linear dependence between the ratio and the oxygen saturation of the blood samples was valid for the blood samples with different hematocrits. Tissue oxygen saturation has been estimated from the spectroscopic measurements were taken from the fingers of healthy volunteers using the correlation between the spectra and blood oxygen saturation. The tissue StO2 measured was 80% as expected. The technique developed to measure tissue oxygen saturation has potential to diagnose premalignant tissues, follow up prognosis of cancerous tissues, and evaluation of ischemia reperfusion tissues.

  4. The debate on continuous home oxygen therapy.

    PubMed

    Díaz Lobato, Salvador; García González, José Luis; Mayoralas Alises, Sagrario

    2015-01-01

    Two studies published in the early 80s, namely the Nocturnal Oxygen Therapy Trial (NOTT) and the Medical Research Council Trial (MRC), laid the foundations for modern home oxygen therapy. Since then, little progress has been made in terms of therapeutic indications, and several prescription-associated problems have come to light. Advances in technology have gone hand in hand with growing disregard for the recommendations in clinical guidelines on oxygen therapy. The introduction of liquid oxygen brought with it a number of technical problems, clinical problems related to selecting candidate patients for portable delivery devices, and economic problems associated with the rising cost of the therapy. Continuous home oxygen therapy has been further complicated by the recent introduction of portable oxygen concentrators and the development in quick succession of a range of delivery devices with different levels of efficiency and performance. Modern oxygen therapy demands that clinicians evaluate the level of mobility of their patients and the mobility permitted by available oxygen sources, correctly match patients with the most appropriate oxygen source and adjust the therapy accordingly. The future of continuous home oxygen therapy lies in developing the ideal delivery device, improving the regulations systems and information channels, raise patient awareness and drive research. PMID:24976235

  5. Meso- to submesocale oxygen variability and lateral oxygen fluxes in the oxygen minimum zone of the eastern tropical North Atlantic

    NASA Astrophysics Data System (ADS)

    Hahn, Johannes; Brandt, Peter; Krahmann, Gerd

    2015-04-01

    The oxygen minimum zone (OMZ) of the eastern tropical North Atlantic (ETNA) is located between the oxygen-rich equatorial region and the Cape Verde Frontal Zone at 20°N in a depth range between 300m - 700m. Its southern boundary is predominantly set by the equatorial zonal current system, where the northernmost current branch is represented by the eastward flowing North Equatorial Counter Current / North Equatorial Undercurrent (NECC/NEUC) at 5°N. Recent studies have shown enhanced oxygen variability for this location at the OMZ core depth which is generated due to mesoscale stirring induced by tropical instability waves as well as seasonal variability of the NECC/NEUC. An extensive measurement program was carried out in the past decade consisting of repeat ship sections as well as moored and glider observations along the 23°W section in order to study oxygen ventilation and oxygen variability in the ETNA OMZ regime. Moored and shipboard observations of oxygen and velocity reveal an eddy-driven northward oxygen flux towards the OMZ core, which results in an oxygen supply of up to 60% of the observed oxygen consumption. Based on the several year long moored observations at 5°N and 8°N, a seasonal variability of the eddy-driven meridional oxygen flux is found. Corresponding frequency spectra of the mooring time series are used to discuss time scales of enhanced variability of oxygen and meridional velocity. In this study, we explicitly present a measurement program which was conducted at 5°N, 23°W consisting of a triangular mooring array (Nov. 2012 - Apr. 2014) as well as a glider swarm experiment with a fleet of 3 gliders (Nov. - Dec. 2012). Based on this data set, a variogram of oxygen is derived to study spatial scales on the meso- to submesoscale in the NECC/NEUC regime.

  6. Application of continuous measurements of FerryBoxes to oxygen fluxes in the North Sea

    NASA Astrophysics Data System (ADS)

    Haller, Michael; Petersen, Wilhelm

    2013-04-01

    The monitoring of marine environments in coastal seas is still a challenge when continuous and reliable observations are needed. The use of ships of opportunity (SoO) is cost-effective and can provide continuous and reliable measurements of near-surface parameters. They are protected from damage by waves and biofouling can be easier handled. So they serve as a valuable tool for further research on coastal seas. In context of acidification and eutrophication of the oceans, research is needed for the evaluation of quantitative values regarding the cycles of oxygen and carbon. In this study we present data analyses of FerryBox transects in the North Sea covering a time period of several years. Onboard the FerryBox systems, oxygen optodes provide continuous measurements of dissolved oxygen concentrations. Together with temperature and salinity observations as well as wind field information, the air-sea exchange of oxygen has been calculated. Only the FerryBox systems on ships of opportunity provide continuous measurements over a longer timescale along transects in coastal oceans. Depending on the ship routes, the time interval at one point is about 1-2 days, so weekly differences are usable for the estimation of oxygen fluxes. Going further, the oxygen flux serves as a proxy of net primary production, so also carbon fluxes can be estimated. Details of the analyses procedure as well as results will be presented. However, this kind of analysis needs precise dissolved oxygen measurements as changes in oxygen concentration are small. So calibration of oxygen optodes is crucial and the errors concerning the estimated oxygen fluxes will be discussed.

  7. Solid electrolyte oxygen regeneration system

    NASA Technical Reports Server (NTRS)

    Shumar, J. W.; See, G. G.; Schubert, F. H.; Powell, J. D.

    1976-01-01

    A program to design, develop, fabricate and assemble a one-man, self-contained, solid electrolyte oxygen regeneration system (SX-1) incorporating solid electrolyte electrolyzer drums was completed. The SX-1 is a preprototype engineering model designed to produce 0.952 kg (2.1 lb)/day of breathable oxygen (O2) from the electrolysis of metabolic carbon dioxide (CO2) and water vapor. The CO2 supply rate was established based on the metabolic CO2 generation rate for one man of 0.998 kg (2.2 lb)/day. The water supply rate (0.254 kg (0.56 lb)/day) was designed to be sufficient to make up the difference between the 0.952 kg (2.1 lb)/day O2 generation specification and the O2 available through CO2 electrolysis, 0.726 kg (1.6 lb)/day. The SX-1 was successfully designed, fabricated and assembled. Design verification tests (DVT) or the CO Disproportionators, H2 separators, control instrumentation, monitor instrumentation, water feed mechanism were successfully completed. The erratic occurrence of electrolyzer drum leakage prevented the completion of the CO2 electrolyzer module and water electrolyzer module DVT's and also prevented the performance of SX-1 integrated testing. Further development work is required to improve the solid electrolyte cell high temperature seals.

  8. Mars oxygen processor demonstration project

    NASA Technical Reports Server (NTRS)

    1987-01-01

    The objective of the 1986-87 space system design project was to design and procure the hardware necessary to demonstrate continuous production of oxygen from simulated Mars atmosphere. The work was an extension of a design project that was started during the previous academic year. A yttria stabilized, zirconium oxide electrochemical cell was operated in a controlled temperature environment to separate oxygen, which has been dissociated thermally from the primary constituent of the Martian atmosphere-carbon dioxide. This system was perhaps the most primitive chemical processor that could be developed as part of an extraterrestrial chemicals production demonstration project. The course began in January, 1987. Speakers were brought in to discuss the Martian environment, concepts for resource extraction and system requirements for an autonomous chemical processor. The class simultaneously refined its work plans, which were developed as part of the fall semester senior seminar course. Hardware was purchased using funds provided by the Planetary Society. However, the key hardware element was the zirconia cell. Development of that type of cell is beyond the capabilities of undergraduate engineering students. Consequently, the cell was borrowed. The design elements emphasized in this project were as follows: (1) System reliability analysis; (2) Autonomous operation and control; (3) High temperature seal design; (4) Design for minimum thermal stress; (5) Passive shut down environmental control; (6) Integrated instrumentation concepts; (7) Identification of extraterrestrial resources; (8) Evaluation of chemical processor concepts; (9) Integrated hardware design; and (10) Finite element analysis.

  9. Hydrogen-Oxygen Reaction Lab

    NSDL National Science Digital Library

    CREAM GK-12 Program, Engineering Education Research Center, College of Engineering and Architecture,

    This lab exercise exposes students to a potentially new alternative energy source—hydrogen gas. Student teams are given a hydrogen generator and an oxygen generator. They balance the chemical equation for the combustion of hydrogen gas in the presence of oxygen. Then they analyze what the equation really means. Two hypotheses are given, based on what one might predict upon analyzing the chemical equation. Once students have thought about the process, they are walked through the experiment and shown how to collect the gas in different ratios. By trial and error, students determine the ideal combustion ratio. For both volume of explosion and kick generated by explosion, they qualitatively record results on a 0-4 scale. Then, students evaluate their collected results to see if the hypotheses were correct and how their results match the theoretical equation. Students learn that while hydrogen will most commonly be used for fuel cells (no combustion situation), it has been used in rocket engines (for which a tremendous combustion occurs).

  10. Type Ia supernovae from exploding oxygen-neon white dwarfs

    E-print Network

    Marquardt, Kai S; Ruiter, Ashley J; Seitenzahl, Ivo R; Ohlmann, Sebastian T; Kromer, Markus; Pakmor, Ruediger; Roepke, Friedrich K

    2015-01-01

    The progenitor problem of Type Ia supernovae (SNe Ia) is still unsolved. Most of these events are thought to be explosions of carbon-oxygen (CO) white dwarfs (WDs), but for many of the explosion scenarios, particularly those involving the externally triggered detonation of a sub-Chandrasekhar mass WD (sub-M Ch WD), there is also a possibility of having an oxygen-neon (ONe) WD as progenitor. We simulate detonations of ONe WDs and calculate synthetic observables from these models. The results are compared with detonations in CO WDs of similar mass and observational data of SNe Ia. We perform hydrodynamic explosion simulations of detonations in initially hydrostatic ONe WDs for a range of masses below the Chandrasekhar mass (M Ch), followed by detailed nucleosynthetic postprocessing with a 384-isotope nuclear reaction network. The results are used to calculate synthetic spectra and light curves, which are then compared with observations of SNe Ia. We also perform binary evolution calculations to determine the nu...

  11. Investigation of oxygen dissociation and vibrational relaxation at temperatures 4000-10,800 K.

    PubMed

    Ibraguimova, L B; Sergievskaya, A L; Levashov, V Yu; Shatalov, O P; Tunik, Yu V; Zabelinskii, I E

    2013-07-21

    The oxygen absorbance was studied at wavelengths 200-270 nm in Schumann-Runge system behind the front of a strong shock wave. Using these data, the vibrational temperature Tv behind the front of shock waves was measured at temperatures 4000-10,800 K in undiluted oxygen. Determination of Tv was based on the measurements of time histories of absorbance for two wavelengths behind the shock front and on the results of detail calculations of oxygen absorption spectrum. Solving the system of standard quasi-one-dimensional gas dynamics equations and using the measured vibrational temperature, the time evolution of oxygen concentration and other gas parameters in each experiment were calculated. Based on these data, the oxygen dissociation rate constants were obtained for thermal equilibrium and thermal non-equilibrium conditions. Furthermore, the oxygen vibrational relaxation time was also determined at high temperatures. Using the experimental data, various theoretical and empirical models of high-temperature dissociation were tested, including the empirical model proposed in the present work. PMID:23883037

  12. Investigation of oxygen dissociation and vibrational relaxation at temperatures 4000-10 800 K

    NASA Astrophysics Data System (ADS)

    Ibraguimova, L. B.; Sergievskaya, A. L.; Levashov, V. Yu.; Shatalov, O. P.; Tunik, Yu. V.; Zabelinskii, I. E.

    2013-07-01

    The oxygen absorbance was studied at wavelengths 200-270 nm in Schumann-Runge system behind the front of a strong shock wave. Using these data, the vibrational temperature Tv behind the front of shock waves was measured at temperatures 4000-10 800 K in undiluted oxygen. Determination of Tv was based on the measurements of time histories of absorbance for two wavelengths behind the shock front and on the results of detail calculations of oxygen absorption spectrum. Solving the system of standard quasi-one-dimensional gas dynamics equations and using the measured vibrational temperature, the time evolution of oxygen concentration and other gas parameters in each experiment were calculated. Based on these data, the oxygen dissociation rate constants were obtained for thermal equilibrium and thermal non-equilibrium conditions. Furthermore, the oxygen vibrational relaxation time was also determined at high temperatures. Using the experimental data, various theoretical and empirical models of high-temperature dissociation were tested, including the empirical model proposed in the present work.

  13. Structure Evolution of Graphene Oxide during Thermally Driven Phase Transformation: Is the Oxygen Content Really Preserved?

    PubMed Central

    Sun, Pengzhan; Wang, Yanlei; Liu, He; Wang, Kunlin; Wu, Dehai; Xu, Zhiping; Zhu, Hongwei

    2014-01-01

    A mild annealing procedure was recently proposed for the scalable enhancement of graphene oxide (GO) properties with the oxygen content preserved, which was demonstrated to be attributed to the thermally driven phase separation. In this work, the structure evolution of GO with mild annealing is closely investigated. It reveals that in addition to phase separation, the transformation of oxygen functionalities also occurs, which leads to the slight reduction of GO membranes and furthers the enhancement of GO properties. These results are further supported by the density functional theory based calculations. The results also show that the amount of chemically bonded oxygen atoms on graphene decreases gradually and we propose that the strongly physisorbed oxygen species constrained in the holes and vacancies on GO lattice might be responsible for the preserved oxygen content during the mild annealing procedure. The present experimental results and calculations indicate that both the diffusion and transformation of oxygen functional groups might play important roles in the scalable enhancement of GO properties. PMID:25372142

  14. Structure evolution of graphene oxide during thermally driven phase transformation: is the oxygen content really preserved?

    PubMed

    Sun, Pengzhan; Wang, Yanlei; Liu, He; Wang, Kunlin; Wu, Dehai; Xu, Zhiping; Zhu, Hongwei

    2014-01-01

    A mild annealing procedure was recently proposed for the scalable enhancement of graphene oxide (GO) properties with the oxygen content preserved, which was demonstrated to be attributed to the thermally driven phase separation. In this work, the structure evolution of GO with mild annealing is closely investigated. It reveals that in addition to phase separation, the transformation of oxygen functionalities also occurs, which leads to the slight reduction of GO membranes and furthers the enhancement of GO properties. These results are further supported by the density functional theory based calculations. The results also show that the amount of chemically bonded oxygen atoms on graphene decreases gradually and we propose that the strongly physisorbed oxygen species constrained in the holes and vacancies on GO lattice might be responsible for the preserved oxygen content during the mild annealing procedure. The present experimental results and calculations indicate that both the diffusion and transformation of oxygen functional groups might play important roles in the scalable enhancement of GO properties. PMID:25372142

  15. Spin Resonance Strength Calculations

    SciTech Connect

    Courant, E. D. [Brookhaven National Laboratory, Upton NY 11973 (United States)

    2009-08-04

    In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.

  16. Three recent TDHF calculations

    SciTech Connect

    Weiss, M.S.

    1981-05-01

    Three applications of TDHF are discussed. First, vibrational spectra of a post grazing collision /sup 40/Ca nucleus is examined and found to contain many high energy components, qualitatively consistent with recent Orsay experiments. Second, the fusion cross section in energy and angular momentum are calculated for /sup 16/O + /sup 24/Mg to exhibit the parameters of the low l window for this system. A sensitivity of the fusion cross section to the effective two body potential is discussed. Last, a preliminary analysis of /sup 86/Kr + /sup 139/La at E/sub lab/ = 505 MeV calculated in the frozen approximation is displayed, compared to experiment and discussed.

  17. Nitrogen Oxide Calculator

    NSDL National Science Digital Library

    Pratte, John

    In this activity, students will analyze their nitrogen oxide emissions from all sources (including coal-fired power plants, natural gas combustion, gas-powered lawnmowers, etc.) and combine them with vehicle emissions calculated in the previous activity (Ground-level Ozone: Your Vehicle) to derive an estimate of total emissions of smog-forming NOx. They will use an online nitrogen calculator and enter values for private transportation, public transportation, heat and power, and number of people living the household to receive the total emissions figure.

  18. A survey of alternative oxygen production technologies

    NASA Astrophysics Data System (ADS)

    Lueck, Dale E.; Parrish, Clyde F.; Buttner, William J.; Surma, Jan M.

    2001-02-01

    Utilization of the Martian atmosphere for the production of fuel and oxygen has been extensively studied. The baseline fuel production process is a Sabatier reactor, which produces methane and water from carbon dioxide and hydrogen. The oxygen produced from the electrolysis of the water is only half of that needed for methane-based rocket propellant, and additional oxygen is needed for breathing air, fuel cells and other energy sources. Zirconia electrolysis cells for the direct reduction of CO2 are being developed as an alternative means of producing oxygen, but present many challenges for a large-scale oxygen production system. The very high operating temperatures and fragile nature of the cells coupled with fairly high operating voltages leave room for improvement. This paper will survey alternative oxygen production technologies, present data on operating characteristics, materials of construction, and some preliminary laboratory results on attempts to implement each. .

  19. Calculation of Phase Equilibria in Ternary Systems Uranyl Salt-Water-Organic Solvent

    Microsoft Academic Search

    M. A. Myagkova-Romanova; L. L. Makarov

    2001-01-01

    Simulation of extraction equilibria in systems consisting of uranyl salt (nitrate, haloacetates), water, and oxygen-containing organic solvent was performed. A method based on a thermodynamic approach was suggested for calculating equilibria, and phase diagrams of 12 extraction systems were calculated. The results were compared with available experimental data, and the efficiency of systems that were not studied experimentally was predicted.

  20. Measurements of oxygen permeability coefficients of rice (Oryza sativa L.) roots using a new perfusion technique

    PubMed Central

    Kotula, Lukasz; Steudle, Ernst

    2009-01-01

    A new approach is described to analyse the barrier properties of the outer part of rice (Oryza sativa L.) roots towards oxygen. By using a root-sleeving O2 electrode, radial oxygen loss at different distances from the root apex was measured and related to the corresponding root structure. In addition, internal oxygen concentrations were precisely adjusted using a newly developed perfusion technique. Thus, the oxygen permeability coefficient of the outer part of the root (OPR) could be calculated, since both (i) the oxygen flow across the OPR and (ii) the oxygen concentration gradient across the OPR from inside to outside were known. On the basis of the permeability coefficient, it can be decided whether or not different rates of oxygen loss across the OPR are due to changes in the OPR structure and/or to changes in the concentration gradient. The technique was applied to rice root segments, which enabled rapid perfusion of aerenchyma. In the present study, roots of rice grown under aerobic conditions were used which should have a higher O2 permeability compared with that of plants grown in deoxygenated solution. Both radial oxygen losses and permeability coefficients decreased along the root, reaching the lowest values at the basal positions. Values of oxygen permeability coefficients of the OPR were corrected for external unstirred layers. They decreased from (2.8±0.2)×10?6?m s?1 at 30?mm to (1.1±0.2)×10?6?m s?1 at 60?mm from the apex (n=5; ±SE). They were similar to those measured previously for cuticles. Low diffusional oxygen permeability of the OPR suggested that the barrier to radial oxygen loss was effective. This may help to retain oxygen within the root and enhance diffusion of oxygen towards the apex in the presence of a relatively high water permeability. The results are discussed in terms of the inter-relationship between the water and oxygen permeabilities as roots develop in either aerated or deoxygenated (stagnant) media. PMID:19088333

  1. Oxygen adsorption on the Al?Co?(001) surface: first-principles and STM study.

    PubMed

    Villaseca, S Alarcón; Loli, L N Serkovic; Ledieu, J; Fournée, V; Gille, P; Dubois, J-M; Gaudry, E

    2013-09-01

    Atomic oxygen adsorption on a pure aluminum terminated Al9Co2(001) surface is studied by first-principle calculations coupled with STM measurements. Relative adsorption energies of oxygen atoms have been calculated on different surface sites along with the associated STM images. The local electronic structure of the most favourable adsorption site is described. The preferential adsorption site is identified as a 'bridge' type site between the cluster entities exposed at the (001) surface termination. The Al-O bonding between the adsorbate and the substrate presents a covalent character, with s-p hybridization occurring between the states of the adsorbed oxygen atom and the aluminum atoms of the surface. The simulated STM image of the preferential adsorption site is in agreement with experimental observations. This work shows that oxygen adsorption generates important atomic relaxations of the topmost surface layer and that sub-surface cobalt atoms strongly influence the values of the adsorption energies. The calculated Al-O distances are in agreement with those reported in Al2O and Al2O3 oxides and for oxygen adsorption on Al(111). PMID:23883551

  2. First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques

    SciTech Connect

    Fang, H. Z.; Shang, S. L.; Wang, Y.; Liu, Z. K. [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Alfonso, D.; Alman, D. E. [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Shin, Y. K.; Zou, C. Y.; Duin, A. C. T. van [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Lei, Y. K.; Wang, G. F. [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pennsylvania 15261 (United States)

    2014-01-28

    This paper is concerned with the prediction of oxygen diffusivities in fcc nickel from first-principles calculations and large-scale atomic simulations. Considering only the interstitial octahedral to tetrahedral to octahedral minimum energy pathway for oxygen diffusion in fcc lattice, greatly underestimates the migration barrier and overestimates the diffusivities by several orders of magnitude. The results indicate that vacancies in the Ni-lattice significantly impact the migration barrier of oxygen in nickel. Incorporation of the effect of vacancies results in predicted diffusivities consistent with available experimental data. First-principles calculations show that at high temperatures the vacancy concentration is comparable to the oxygen solubility, and there is a strong binding energy and a redistribution of charge density between the oxygen atom and vacancy. Consequently, there is a strong attraction between the oxygen and vacancy in the Ni lattice, which impacts diffusion.

  3. SIGNAL TRANSDUCTION: How Do Cells Sense Oxygen?

    NSDL National Science Digital Library

    Hao Zhu (Harvard Medical School; Hematology Division of the Department of Medicine, Brigham and Women's Hospital)

    2001-04-20

    Access to the article is free, however registration and sign-in are required. How do organisms sense the amount of oxygen in the environment and respond appropriately when the amount of oxygen decreases (a condition called hypoxia)? In their Perspective, Zhu and Bunn discuss new findings (Ivan et al., Jaakkola et al.) that reveal how the HIF transcription factor, which switches on a group of hypoxia-response proteins, is itself regulated by changes in oxygen tension.

  4. Recombinant Hemoglobins as Artificial Oxygen Carriers

    PubMed Central

    Fronticelli, Clara; Koehler, Raymond C.; Brinigar, William S.

    2008-01-01

    This paper describes the approaches we have taken to construct a) mutant hemoglobins with different oxygen affinities, and b) mutant hemoglobins and myoglobins that polymerize to high molecular weight aggregates in an effort to prevent extravasation and the associated vasoactivity. In vivo testing indicates that exchange transfusion of polymeric hemoglobins in mice does not result in vasoactivity and that polymeric hemoglobins are effective oxygen carriers to ischemic tissues irrespective of their oxygen affinity and cooperativity. PMID:17364470

  5. Assessment of oxygen supplementation during air travel

    Microsoft Academic Search

    D. Cramer; S. Ward; D. Geddes

    1996-01-01

    BACKGROUND: The aim of this study was to simulate an in flight environment at sea level with a fractional inspired concentration of oxygen (FiO2) of 0.15 to determine how much supplemental oxygen was needed to restore a subject's oxygen saturation (SaO2) to 90% or to the level previously attained when breathing room air (FiO2 of 0.21). METHODS: Three groups were

  6. Tipping point analysis of atmospheric oxygen concentration

    NASA Astrophysics Data System (ADS)

    Livina, Valerie N.; Vaz Martins, Teresa M.; Forbes, Alistair

    2015-04-01

    We apply tipping point analysis to atmospheric oxygen concentration records. We warn that decrease of oxygen concentration from 21% to 19% would lead to significant health problems for humans and other animals, and estimate the time scale of such decline under various antropogenic scenarios. We suggest that society should be careful with introduction of new mass technologies that utilise double sink of atmospheric oxygen by both combustion and air-consuming synthesis in energy generation and product manufacturing.

  7. Structure of Organic Oxygen Compounds of Sulphur

    Microsoft Academic Search

    Yu A. Kolesnik; V. V. Kozlov

    1968-01-01

    The nature of the sulphur-oxygen bond, the geometry of molecules of the types XYSO, XYSO2, XSOOH, and XSO2OH, and the character of the intramolecular interactions in these compounds are discussed. Apart from the sigma-bond between sulphur and oxygen, interaction obviously occurs by means of the 3d-orbital of sulphur and the 2p-orbital of oxygen (2p-3d hybridisation). The interaction of a sulphinyl

  8. Hyperbaric Oxygen for Acute Carbon Monoxide Poisoning

    Microsoft Academic Search

    Lindell K. Weaver; Ramona O. Hopkins; Karen J. Chan; Susan Churchill; C. Gregory Elliott; Terry P. Clemmer; James F. Orme; Frank O. Thomas; Alan H. Morris

    2002-01-01

    Background Patients with acute carbon monoxide poisoning commonly have cognitive sequelae. We conducted a double-blind, randomized trial to evaluate the effect of hyperbaric-oxygen treatment on such cognitive sequelae. Methods We randomly assigned patients with symptomatic acute carbon monoxide poisoning in equal proportions to three chamber sessions within a 24-hour period, consisting of either three hyperbaric-oxygen treatments or one normobaric-oxygen treatment

  9. Prospects for detecting oxygen, water, and chlorophyll on an exo-Earth.

    PubMed

    Brandt, Timothy D; Spiegel, David S

    2014-09-16

    The goal of finding and characterizing nearby Earth-like planets is driving many NASA high-contrast flagship mission concepts, the latest of which is known as the Advanced Technology Large-Aperture Space Telescope (ATLAST). In this article, we calculate the optimal spectral resolution R = ?/?? and minimum signal-to-noise ratio per spectral bin (SNR), two central design requirements for a high-contrast space mission, to detect signatures of water, oxygen, and chlorophyll on an Earth twin. We first develop a minimally parametric model and demonstrate its ability to fit synthetic and observed Earth spectra; this allows us to measure the statistical evidence for each component's presence. We find that water is the easiest to detect, requiring a resolution R ? 20, while the optimal resolution for oxygen is likely to be closer to R = 150, somewhat higher than the canonical value in the literature. At these resolutions, detecting oxygen will require approximately two times the SNR as water. Chlorophyll requires approximately six times the SNR as oxygen for an Earth twin, only falling to oxygen-like levels of detectability for a low cloud cover and/or a large vegetation covering fraction. This suggests designing a mission for sensitivity to oxygen and adopting a multitiered observing strategy, first targeting water, then oxygen on the more favorable planets, and finally chlorophyll on only the most promising worlds. PMID:25197095

  10. Oxygen Electrocatalysts for Water Electrolyzers and Reversible Fuel Cells: Status and Perspective

    SciTech Connect

    Park, Seh Kyu; Shao, Yuyan; Liu, Jun; Wang, Yong

    2012-11-01

    Hydrogen production by electrochemical water electrolysis has received great attention as an alternative technology for energy conversion and storage. The oxygen electrode has a substantial effect on the performance and durability in water electrolyzers and reversible fuel cells because of its intrinsically slow kinetics for oxygen evolution/reduction and poor durability under harsh operating environments. To improve oxygen kinetics and durability of the electrode, extensive studies for highly active and stable oxygen electrocatalyst have been performed. However, due to the thermodynamic instability of transition metals in acidic media, noble metal compounds have been primarily utilized as electrocatalysts in water electrolyzers and reversible fuel cells. For water electrolyzer applications, single noble metal oxides such as ruthenium oxide and iridium oxide have been studied, and binary or ternary metal oxides have been developed to take synergestic effects of each component. On the other hand, a variety of bifunctional electrocatalysts with a combination of monofunctional electrocatalysts such as platinum for oxygen reduction and iridium oxide for oxygen evolution for reversible fuel cell applications have been mainly proposed. Practically, supported iridium oxide-on-platinum, its reverse type, and non-precious metal-supported platinum and iridium bifunctional electrocatalysts have been developed. Recent theoretical calculations and experimental studies in terms of water electrolysis and fuel cell technology suggest effective ways to cope with current major challenges of cost and durability of oxygen electrocatalysts for technical applications.

  11. Exposure of LDEF materials to atomic oxygen: Results of EOIM 3

    NASA Technical Reports Server (NTRS)

    Jaggers, C. H.; Meshishnek, M. J.

    1995-01-01

    The third Effects of Oxygen Atom Interaction with Materials (EOIM 3) experiment flew on STS-46 from July 31 to August 8, 1992. The EOIM-3 sample tray was exposed to the low-earth orbit space environment for 58.55 hours at an altitude of 124 nautical miles resulting in a calculated total atomic oxygen (AO) fluence of 1.99 x 10(exp 20) atoms/sq cm. Five samples previously flown on the Long Duration Exposure Facility (LDEF) Experiment M0003 were included on the Aerospace EOIM 3 experimental tray: (1) Chemglaze A276 white thermal control paint from the LDEF trailing edge (TE); (2) S13GLO white thermal control paint from the LDEF TE; (3) S13GLO from the LDEF leading edge (LE) with a visible contamination layer from the LDEF mission; (4) Z306 black thermal control paint from the LDEF TE with a contamination layer from the LDEF mission; and (5) anodized aluminum from the LDEF TE with a contamination layer from the LDEF mission. The purpose of this experiment was twofold: (l) investigate the response of trailing edge LDEF materials to atomic oxygen exposure, thereby simulating LDEF leading edge phenomena; (2) investigate the response of contaminated LDEF samples to atomic oxygen in attempts to understand LDEF contamination-atomic oxygen interactions. This paper describes the response of these materials to atomic oxygen exposure, and compares the results of the EOIM 3 experiment to the LDEF mission and to ground-based atomic oxygen exposure studies.

  12. Combustion Effects in Laser-oxygen Cutting: Basic Assumptions, Numerical Simulation and High Speed Visualization

    NASA Astrophysics Data System (ADS)

    Zaitsev, Alexander V.; Ermolaev, Grigory V.

    Laser-oxygen cutting is very complicated for theoretical description technological process. Iron-oxygen combustion playing a leading role making it highly effective, able to cut thicker plates and, at the same time, producing special types of striations and other defects on the cut surface. In this paper results of numerical simulation based on elementary assumptions on iron-oxygen combustion are verified with high speed visualization of laser-oxygen cutting process. On a base of assumption that iron oxide lost its protective properties after melting simulation of striation formation due cycles of laser induced non self-sustained combustion is proposed. Assumption that reaction limiting factor is oxygen transport from the jet to cutting front allows to calculate reaction intensity by solving Navier - Stokes and diffusion system in gas phase. Influence of oxygen purity and pressure is studied theoretically. The results of numerical simulation are examined with high speed visualization of laser-oxygen cutting of 4-20 mm mild steel plates at cutting conditions close to industrial.

  13. Oxygen vacancy enhanced photocatalytic activity of pervoskite SrTiO(3).

    PubMed

    Tan, Huaqiao; Zhao, Zhao; Zhu, Wan-Bin; Coker, Eric N; Li, Binsong; Zheng, Min; Yu, Weixing; Fan, Hongyou; Sun, Zaicheng

    2014-11-12

    A facile and general method has been developed to fabricate oxygen vacancies on perovskite SrTiO3 (STO) nanocrystals through a controllable solid-state reaction of NaBH4 and SrTiO3 nanocrystals. STO samples with tunable color, oxygen vacancy concentration on nanocrystal surface have been synthesized. TEM results reveal that these STO samples have a crystalline core/amorphous shell structure (SrTiO3@SrTiO3-x). XPS and EPR results disclose that the oxygen vacancy concentration increases with the increase of reaction time and temperature. The concentration of oxygen vacancies calculated from TGA data, could reach 5.07% (atom) in this study. UV-vis spectra and photocatalytic results indicate that oxygen vacancies on STO surface play an important role in influencing the light absorption and photocatalytic performance. However, an excess amount of oxygen vacancies leads to a decrease of photocatalytic performance. The optimal photocatalytic activity for H2 production under UV-vis irradiation is up to 2.2 mmol h(-1) g(-1), which is about 2.3 times than the original SrTiO3, corresponding to 3.28% (atom) of oxygen vacancy concentration. PMID:25311356

  14. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    NASA Astrophysics Data System (ADS)

    López-Moreno, S.; Romero, A. H.

    2015-04-01

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

  15. A technique for mass spectrometer measurements of atomic and molecular oxygen in the lower thermosphere

    NASA Technical Reports Server (NTRS)

    Kayser, D. C.; Potter, W. E.

    1978-01-01

    A neutral mass spectrometer with a quasi-open ion source was flown on each of the Atmosphere Explorer (AE) C, D, and E satellites. The three instruments provided an opportunity to study the effects of different source insert materials on the source surface chemistry. It was found that, after a period of conditioning in space, the recombination coefficient of atomic oxygen on gold appears to be substantially lower than it is on Nichrome V. The lower recombination coefficient on gold allows the spectrometer to directly measure a significant fraction of the incident atomic oxygen, making it possible to distinguish between ambient O and O2. Equations are developed to calculate the atomic and molecular oxygen densities. Preliminary measurements of molecular oxygen densities obtained by this technique agree well with measurements taken in the fly-through mode of operation.

  16. Oxygen and iron isotope studies of magnetite produced by magnetotactic bacteria

    PubMed

    Mandernack; Bazylinski; Shanks; Bullen

    1999-09-17

    A series of carefully controlled laboratory studies was carried out to investigate oxygen and iron isotope fractionation during the intracellular production of magnetite (Fe(3)O(4)) by two different species of magnetotactic bacteria at temperatures between 4 degrees and 35 degrees C under microaerobic and anaerobic conditions. No detectable fractionation of iron isotopes in the bacterial magnetites was observed. However, oxygen isotope measurements indicated a temperature-dependent fractionation for Fe(3)O(4) and water that is consistent with that observed for Fe(3)O(4) produced extracellularly by thermophilic Fe(3+)-reducing bacteria. These results contrast with established fractionation curves estimated from either high-temperature experiments or theoretical calculations. With the fractionation curve established in this report, oxygen-18 isotope values of bacterial Fe(3)O(4) may be useful in paleoenvironmental studies for determining the oxygen-18 isotope values of formation waters and for inferring paleotemperatures. PMID:10489363

  17. Oxygen and iron isotope studies of magnetite produced by magnetotactic bacteria

    USGS Publications Warehouse

    Mandernack, K.W.; Bazylinski, D.A.; Shanks, Wayne C., III; Bullen, T.D.

    1999-01-01

    A series of carefully controlled laboratory studies was carried out to investigate oxygen and iron isotope fractionation during the intracellular production of magnetite (Fe3O4) by two different species of magnetotactic bacteria at temperatures between 4??and 35??C under microaerobic and anaerobic conditions. No detectable fractionation of iron isotopes in the bacterial magnetites was observed. However, oxygen isotope measurements indicated a temperature-dependent fractionation for Fe3O4 and water that is consistent with that observed for Fe3O4 produced extracellularly by thermophilic Fe3+-reducing bacteria. These results contrast with established fractionation curves estimated from either high-temperature experiments or theoretical calculations. With the fractionation curve established in this report, oxygen-18 isotope values of bacterial Fe3O4 may be useful in paleoenvironmental studies for determining the oxygen-18 isotope values of formation waters and for inferring paleotemperatures.

  18. Boosting activation of oxygen molecules on C60 fullerene by boron doping.

    PubMed

    Li, Qiao-Zhi; Zheng, Jia-Jia; Dang, Jing-Shuang; Zhao, Xiang

    2015-02-01

    The activation of oxygen molecules on boron-doped C60 fullerene (C59 B) and the subsequent water formation reaction are systematically investigated by using hybrid density functional calculations. Results indicate that C59 B shows a favorable ability to activate oxygen molecules both kinetically and thermodynamically. The oxygen molecule is first adsorbed on the boron atom, which is identified to be the most reactive site in C59 B for O2 adsorption because of its high positive charge and spin density. The adsorption structure C59 B?O2 can further isomerize to form two products with small reaction barriers. Water formation reactions upon these two structures are energetically favorable and suggest a four-electron mechanism for the oxygen reduction reaction catalyzed by C59 B. This work provides a reliable theoretical insight into the catalytic properties of boron-doped fullerene, which is believed to be helpful to explore fullerene catalysts. PMID:25399745

  19. Impact of uniaxial strain and doping on oxygen diffusion in CeO2

    NASA Astrophysics Data System (ADS)

    Rushton, M. J. D.; Chroneos, A.

    2014-08-01

    Doped ceria is an important electrolyte for solid oxide fuel cell applications. Molecular dynamics simulations have been used to investigate the impact of uniaxial strain along the <100> directions and rare-earth doping (Yb, Er, Ho, Dy, Gd, Sm, Nd, and La) on oxygen diffusion. We introduce a new potential model that is able to describe the thermal expansion and elastic properties of ceria to give excellent agreement with experimental data. We calculate the activation energy of oxygen migration in the temperature range 900-1900 K for both unstrained and rare-earth doped ceria systems under tensile strain. Uniaxial strain has a considerable effect in lowering the activation energies of oxygen migration. A more pronounced increase in oxygen diffusivities is predicted at the lower end of the temperature range for all the dopants considered.

  20. Airborne antenna pattern calculations

    NASA Technical Reports Server (NTRS)

    Knerr, T. J.; Owens, T. M.; Mielke, R. R.

    1981-01-01

    Calculated principal-and off-principal plane patterns are presented for the following aircraft: de Havilland DHC-7, Rockwell Sabreliner 75A, Piper PA-31T Cheyenne, Lockheed Jet Star II, Piper PA-31-350 Navajo Chieftain, Beechcraft Duke B60, Rockwell Commander 700, Cessna Citation 3, Piper PA-31P Pressurized Navajo, Lear Jet, and Twin Otter DHC-6.