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Sample records for hot atom chemistry

  1. Hot hydrogen atoms - Initiators of reactions of interest in interstellar chemistry and evolution

    NASA Technical Reports Server (NTRS)

    Hong, K.-Y.; Hong, J.-H.; Becker, R. S.

    1974-01-01

    Hot hydrogen atoms possess kinetic (or translational) energy in excess of that to be expected if the atoms were in thermal equilibrium with the surroundings. In the investigation reported the hot hydrogen atoms were generated by the photolysis of donor molecules. The light sources for the photolysis were 1000-watt xenon or 500-watt mercury lamps combined with a filter system. The experiments show that hot hydrogen atoms can initiate reactions among simple molecules to produce biomolecules of significance.

  2. Hot hydrogen atoms reactions of interest in molecular evolution and interstellar chemistry

    NASA Technical Reports Server (NTRS)

    Becker, R. S.; Hong, K.; Hong, J. H.

    1974-01-01

    Hot hydrogen atoms which are photochemically generated initiate reactions among mixtures of methane, ethane, water and ammonia, to produce ethanol, organic amines, organic acids, and amino acids. Both ethanol and ethyl amine can also act as substrates for formation of amino acids. The one carbon substrate methane is sufficient as a carbon source to produce amino acids. Typical quantum yields for formation of amino acids are approximately 0.00002 to 0.00004. In one experiment, 6 protein amino acids were identified and 8 nonprotein amino acids verified utilizing gas chromatography-mass spectroscopy. We propose that hot atoms, especially hydrogen, initiate reactions in the thermodynamic nonequilibrium environment of interstellar space as well as in the atmospheres of planets.

  3. Hot hydrogen in prebiological and interstellar chemistry

    NASA Technical Reports Server (NTRS)

    Sagan, C.

    1975-01-01

    Two articles discuss the recent experimental work of Hong et al. on the production of amino acids and gas-phase organic compounds from the ultraviolet irradiation of simple gases, with hot hydrogen atoms used as the principal energy conversion agent. The reaction possibilities involving frozen ices are mentioned in both articles, as well as the significance of three-body collisions in this situation.

  4. Semiempirical hot atom theory. I - Initialization and application

    NASA Technical Reports Server (NTRS)

    Aronowitz, S.; Chang, S.; Scattergood, T.

    1981-01-01

    A semiempirical approach to the modeling of the kinetics of reaction systems containing both hot and nonhot atoms is proposed. The approach is based on the probabilistic kinetic theory of hot-atom reactions formulated by Wolfgang (1963), with transmission probabilities estimated for a rectangular potential barrier for hot-atom and nonhot-atom reactions. A computational scheme for determining product concentrations following hot and nonhot reactions in a system containing photolytically produced hot atoms is then applied to the DBr + CH4 and HBr + CD4 hot hydrogen atom systems studied by Martin and Willard (1964), and good agreement is obtained between theoretical and experimental results.

  5. Cold Light from Hot Atoms and Molecules

    SciTech Connect

    Lister, Graeme; Curry, John J.

    2011-05-11

    The introduction of rare earth atoms and molecules into lighting discharges led to great advances in efficacy of these lamps. Atoms such as Dy, Ho and Ce provide excellent radiation sources for lighting applications, with rich visible spectra, such that a suitable combination of these elements can provide high quality white light. Rare earth molecules have also proved important in enhancing the radiation spectrum from phosphors in fluorescent lamps. This paper reviews some of the current aspects of lighting research, particularly rare earth chemistry and radiation, and the associated fundamental atomic and molecular data.

  6. Exploring Equilibrium Chemistry for Hot Exoplanets

    NASA Astrophysics Data System (ADS)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Challener, Ryan

    2015-11-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Young 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime of 0.1 to 1 bar. These results are compared to a variety of exoplanets (Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an updated thermodynamic library) is validated with the thermochemical model presented in Venot et al. (2012) for HD 209458b and HD 189733b. This same analysis has then been extended to the cooler planet HD 97658b. Spectra are generated from both models’ abundances using the open source code transit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. This work was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  7. High Temperature Chemistry at NASA: Hot Topics

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.

    2014-01-01

    High Temperature issues in aircraft engines Hot section: Ni and Co based Superalloys Oxidation and Corrosion (Durability) at high temperatures. Thermal protection system (TPS) and RCC (Reinforced Carbon-Carbon) on the Space Shuttle Orbiter. High temperatures in other worlds: Planets close to their stars.

  8. Plasmonic hot electron transport drives nano-localized chemistry

    PubMed Central

    Cortés, Emiliano; Xie, Wei; Cambiasso, Javier; Jermyn, Adam S.; Sundararaman, Ravishankar; Narang, Prineha; Schlücker, Sebastian; Maier, Stefan A.

    2017-01-01

    Nanoscale localization of electromagnetic fields near metallic nanostructures underpins the fundamentals and applications of plasmonics. The unavoidable energy loss from plasmon decay, initially seen as a detriment, has now expanded the scope of plasmonic applications to exploit the generated hot carriers. However, quantitative understanding of the spatial localization of these hot carriers, akin to electromagnetic near-field maps, has been elusive. Here we spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for different plasmonic nanostructures. We combine experiments employing a six-electron photo-recycling process that modify the terminal group of a self-assembled monolayer on plasmonic silver nanoantennas, with theoretical predictions from first-principles calculations of non-equilibrium hot-carrier transport in these systems. The resulting localization of reactive regions, determined by hot-carrier transport from high-field regions, paves the way for improving efficiency in hot-carrier extraction science and nanoscale regio-selective surface chemistry. PMID:28348402

  9. Plasmonic hot electron transport drives nano-localized chemistry.

    PubMed

    Cortés, Emiliano; Xie, Wei; Cambiasso, Javier; Jermyn, Adam S; Sundararaman, Ravishankar; Narang, Prineha; Schlücker, Sebastian; Maier, Stefan A

    2017-03-28

    Nanoscale localization of electromagnetic fields near metallic nanostructures underpins the fundamentals and applications of plasmonics. The unavoidable energy loss from plasmon decay, initially seen as a detriment, has now expanded the scope of plasmonic applications to exploit the generated hot carriers. However, quantitative understanding of the spatial localization of these hot carriers, akin to electromagnetic near-field maps, has been elusive. Here we spatially map hot-electron-driven reduction chemistry with 15 nm resolution as a function of time and electromagnetic field polarization for different plasmonic nanostructures. We combine experiments employing a six-electron photo-recycling process that modify the terminal group of a self-assembled monolayer on plasmonic silver nanoantennas, with theoretical predictions from first-principles calculations of non-equilibrium hot-carrier transport in these systems. The resulting localization of reactive regions, determined by hot-carrier transport from high-field regions, paves the way for improving efficiency in hot-carrier extraction science and nanoscale regio-selective surface chemistry.

  10. Escape of Hot Oxygen Atoms from the Atmosphere of Mars

    NASA Astrophysics Data System (ADS)

    Rahmati, A.; Croxell, J. A.; Cravens, T.; Pothapragada, S.; Nagy, A. F.; Ledvina, S. A.

    2013-12-01

    The main source of the production of hot oxygen atoms in the Martian atmosphere is the dissociative recombination (DR) reaction of O2+ ions with electrons. In this study, the primary production rate of hot O atoms is found for four energy channels of DR reaction. The one-dimensional energy and altitude dependent up and down flux differential equations are solved using a two-stream transport method, by taking into account the primary, secondary and cascade productions of hot O and also, the interactions with the background atmosphere. The forward and backward scattering probabilities and energy loss coefficients for 12 neutral target species are found using a Monte-Carlo simulation. The neutral target species are H, H2, He, C, N, O, CO, N2, NO, O2, Ar and CO2 for which the density profiles appropriate for Viking landers condition are used. From the up and down fluxes, the energy distribution function of hot O atoms and the escape flux at the exobase of Mars is calculated and by using the Liouville equation, the density profile of hot O is found above the exobase, extending out to several Martian radii. The results are used to study the interaction of escaping hot O atoms with the solar wind and specifically, the fluxes of energetic O+ pickup ions are determined.

  11. Atomic processes in the hot gas in our galaxy

    NASA Astrophysics Data System (ADS)

    Shelton, Robin L.

    2017-03-01

    Our galaxy contains vast regions of very hot, very low density plasma that provide scientists with unique opportunities to observe atomic processes in extreme conditions. With temperatures of ˜ 105 to ˜ 106 K, the atoms in these regions are ionized to high charge states. Collisional ionization and excitation dominate the atomic physics in the interiors of these regions, and charge exchange becomes important where the highly ionized gas borders cool gas. Examples of very hot regions include the bubbles blown by supernova explosions and the interstellar gas above and below the disk of our galaxy. Examples of charge exchange sites include the heliosphere, supernova shock fronts, and high velocity clouds. Highly ionized plasmas are primarily studied via ultraviolet and X-ray observations using telescopes mounted on satellites, rockets, or space shuttles. Observations have been made of both the emitted spectrum and the number of ions along a path. The sensitivity and spectral resolution of the observing instruments have already reached the stage where some individual transitions can be detected, even in weak plasmas. Where the spectrum is crowded with emission lines from multiple elements, ionization levels, and transitions, spectral modeling is performed in order to estimate the contribution from each. The goal of this paper is to provide examples of interesting atomic physics occurring in our galaxy especially that in the hot component of our galaxy, highlight some areas where new atomic calculations and measurements are needed, and explain how astrophysical atomic transitions are observed.

  12. Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using thermal random phase wavefunctions

    SciTech Connect

    Amaran, Saieswari; Kosloff, Ronnie; Tomza, Michał; Skomorowski, Wojciech; Pawłowski, Filip; Moszynski, Robert; Rybak, Leonid; Levin, Liat; Amitay, Zohar; Berglund, J. Martin; Reich, Daniel M.; Koch, Christiane P.

    2013-10-28

    Two-photon photoassociation of hot magnesium atoms by femtosecond laser pulses, creating electronically excited magnesium dimer molecules, is studied from first principles, combining ab initio quantum chemistry and molecular quantum dynamics. This theoretical framework allows for rationalizing the generation of molecular rovibrational coherence from thermally hot atoms [L. Rybak, S. Amaran, L. Levin, M. Tomza, R. Moszynski, R. Kosloff, C. P. Koch, and Z. Amitay, Phys. Rev. Lett. 107, 273001 (2011)]. Random phase thermal wavefunctions are employed to model the thermal ensemble of hot colliding atoms. Comparing two different choices of basis functions, random phase wavefunctions built from eigenstates are found to have the fastest convergence for the photoassociation yield. The interaction of the colliding atoms with a femtosecond laser pulse is modeled non-perturbatively to account for strong-field effects.

  13. Modeling hot spring chemistries with applications to martian silica formation

    USGS Publications Warehouse

    Marion, G.M.; Catling, D.C.; Crowley, J.K.; Kargel, J.S.

    2011-01-01

    Many recent studies have implicated hydrothermal systems as the origin of martian minerals across a wide range of martian sites. Particular support for hydrothermal systems include silica (SiO2) deposits, in some cases >90% silica, in the Gusev Crater region, especially in the Columbia Hills and at Home Plate. We have developed a model called CHEMCHAU that can be used up to 100??C to simulate hot springs associated with hydrothermal systems. The model was partially derived from FREZCHEM, which is a colder temperature model parameterized for broad ranges of temperature (<-70 to 25??C), pressure (1-1000 bars), and chemical composition. We demonstrate the validity of Pitzer parameters, volumetric parameters, and equilibrium constants in the CHEMCHAU model for the Na-K-Mg-Ca-H-Cl-ClO4-SO4-OH-HCO3-CO3-CO2-O2-CH4-Si-H2O system up to 100??C and apply the model to hot springs and silica deposits.A theoretical simulation of silica and calcite equilibrium shows how calcite is least soluble with high pH and high temperatures, while silica behaves oppositely. Such influences imply that differences in temperature and pH on Mars could lead to very distinct mineral assemblages. Using measured solution chemistries of Yellowstone hot springs and Icelandic hot springs, we simulate salts formed during the evaporation of two low pH cases (high and low temperatures) and a high temperature, alkaline (high pH) sodic water. Simulation of an acid-sulfate case leads to precipitation of Fe and Al minerals along with silica. Consistency with martian mineral assemblages suggests that hot, acidic sulfate solutions are plausibility progenitors of minerals in the past on Mars. In the alkaline pH (8.45) simulation, formation of silica at high temperatures (355K) led to precipitation of anhydrous minerals (CaSO4, Na2SO4) that was also the case for the high temperature (353K) low pH case where anhydrous minerals (NaCl, CaSO4) also precipitated. Thus we predict that secondary minerals associated with

  14. Modeling hot spring chemistries with applications to martian silica formation

    NASA Astrophysics Data System (ADS)

    Marion, G. M.; Catling, D. C.; Crowley, J. K.; Kargel, J. S.

    2011-04-01

    Many recent studies have implicated hydrothermal systems as the origin of martian minerals across a wide range of martian sites. Particular support for hydrothermal systems include silica (SiO 2) deposits, in some cases >90% silica, in the Gusev Crater region, especially in the Columbia Hills and at Home Plate. We have developed a model called CHEMCHAU that can be used up to 100 °C to simulate hot springs associated with hydrothermal systems. The model was partially derived from FREZCHEM, which is a colder temperature model parameterized for broad ranges of temperature (<-70 to 25 °C), pressure (1-1000 bars), and chemical composition. We demonstrate the validity of Pitzer parameters, volumetric parameters, and equilibrium constants in the CHEMCHAU model for the Na-K-Mg-Ca-H-Cl-ClO 4-SO 4-OH-HCO 3-CO 3-CO 2-O 2-CH 4-Si-H 2O system up to 100 °C and apply the model to hot springs and silica deposits. A theoretical simulation of silica and calcite equilibrium shows how calcite is least soluble with high pH and high temperatures, while silica behaves oppositely. Such influences imply that differences in temperature and pH on Mars could lead to very distinct mineral assemblages. Using measured solution chemistries of Yellowstone hot springs and Icelandic hot springs, we simulate salts formed during the evaporation of two low pH cases (high and low temperatures) and a high temperature, alkaline (high pH) sodic water. Simulation of an acid-sulfate case leads to precipitation of Fe and Al minerals along with silica. Consistency with martian mineral assemblages suggests that hot, acidic sulfate solutions are plausibility progenitors of minerals in the past on Mars. In the alkaline pH (8.45) simulation, formation of silica at high temperatures (355 K) led to precipitation of anhydrous minerals (CaSO 4, Na 2SO 4) that was also the case for the high temperature (353 K) low pH case where anhydrous minerals (NaCl, CaSO 4) also precipitated. Thus we predict that secondary

  15. Presentation of Atomic Structure in Turkish General Chemistry Textbooks

    ERIC Educational Resources Information Center

    Niaz, Mansoor; Costu, Bayram

    2009-01-01

    Research in science education has recognized the importance of teaching atomic structure within a history and philosophy of science perspective. The objective of this study is to evaluate general chemistry textbooks published in Turkey based on the eight criteria developed in previous research. Criteria used referred to the atomic models of…

  16. Hot hydrogen atom reactions moderated by H2 and He.

    PubMed

    Aronowitz, S; Scattergood, T; Flores, J; Chang, S

    1986-01-01

    Photolysis experiments were performed on the H2-CD4-NH3 and the He-CD4-NH3 systems. The photolysis (1849 angstoms) involved only NH3. Mixtures of H2:CD4:NH3 included all combinations of the ratios (200,400,800):(10,20,40):4. Two He:CD4:NH3 mixtures were examined where the ratios equalled the combinations 100:(10,20):4. Abstraction of a D from CD4 by the photolytically produced hot hydrogen from ammonia was monitored by mass spectrometric determination of HD. Both experiment and semiempirical hot-atom theory show that H2 is a very poor thermalizer of hot hydrogens with excess kinetic energy of about 2 eV. Applications of the hard-sphere collision model to the H2-CD4-NH3 system results in predicted ratios of net HD production to NH3 decomposition that were two orders of magnitude smaller than the experimental ratios. On the other hand, helium is found to be a very efficient thermalizer; here, the classical model yields reasonable agreement with experiments. Application of a semiempirical hot-atom program gave quantitative agreement with experiment for either system.

  17. H atom probes of radiation chemistry: Solids and liquids

    SciTech Connect

    Trifunac, A.D.; Shkrob, I.A.

    1998-12-31

    H atoms are ubiquitous in radiation chemistry. Radiolysis of most substances yield H atoms and studies of the mechanisms of their production are as old as the field of radiation chemistry. The problem is that study or products does not easily reveal the chemical mechanisms involved even with the clever use of isotopes. Time-resolved pulsed electron paramagnetic resonance (EPR) was used to study formation and decay kinetics of spin-polarized mobile H atoms in radiolysis of wet fused silica containing {approximately} 1,200 ppm of SiOH groups. Two reactions of H atoms can be distinguished: a slow component corresponding to scavenging of H atoms by metastable paramagnetic centers and a fast component which is ascribed to a reaction of a short-lived small polaron (intrinsic hole) with H atoms.

  18. Surface Chemistry in Electrochemical Atomic Layer Processing

    DTIC Science & Technology

    2007-11-02

    example, where a thin film of a material is formed an atomic layer at a time. That is, surface limited reactions are used to deposit individual atomic...The present studies were designed to investigate these surface limited reactions. To determine what the structures of the deposits were, and how that structure influenced subsequent deposition .

  19. Molecular Beam Studies of Hot Atom Chemical Reactions: Reactive Scattering of Energetic Deuterium Atoms

    DOE R&D Accomplishments Database

    Continetti, R. E.; Balko, B. A.; Lee, Y. T.

    1989-02-01

    A brief review of the application of the crossed molecular beams technique to the study of hot atom chemical reactions in the last twenty years is given. Specific emphasis is placed on recent advances in the use of photolytically produced energetic deuterium atoms in the study of the fundamental elementary reactions D + H{sub 2} -> DH + H and the substitution reaction D + C{sub 2}H{sub 2} -> C{sub 2}HD + H. Recent advances in uv laser and pulsed molecular beam techniques have made the detailed study of hydrogen atom reactions under single collision conditions possible.

  20. Hot-atom synthesis of organic compounds on Jupiter

    NASA Technical Reports Server (NTRS)

    Lewis, J. S.; Fegley, B., Jr.

    1979-01-01

    Results of recent laboratory 'simulations' of photochemical processes on Jupiter are combined with available data on mixing rates and exposure times in the Jovian atmosphere to give quantitative predictions of the rate at which hot-atom reactions produce organic molecules. It is shown that abstraction reactions on methane by hot H atoms from solar UV photolysis of H2S will produce no more than 4 times 10 to the -17th power g/sq cm/sec for a steady-state mole fraction of total organics of approximately 10 to the -16th power. This is roughly 10 to the 7th power times less than the limit of detection of the most sensitive gas analysis experiments ever flown on a spacecraft. By far the most common organic molecule produced by this mechanism is CH3SH, methyl mercaptan, which is produced at a rate at least 600 times smaller than the rate of production of ethane by direct photolysis of CH4 at high altitudes.

  1. Primordial chemistry and enzyme evolution in a hot environment.

    PubMed

    Wolfenden, Richard

    2014-08-01

    Ever since the publication of Darwin's Origin of Species, questions have been raised about whether enough time has elapsed for living organisms to have reached their present level of complexity by mutation and natural selection. More recently, it has become apparent that life originated very early in Earth's history, and there has been controversy as to whether life originated in a hot or cold environment. This review describes evidence that rising temperature accelerates slow reactions disproportionately, and to a much greater extent than has been generally recognized. Thus, the time that would have been required for primordial chemistry to become established would have been abbreviated profoundly at high temperatures. Moreover, if the catalytic effect of a primitive enzyme (like that of modern enzymes) were to reduce a reaction's heat of activation, then the rate enhancement that it produced would have increased as the surroundings cooled, quite aside from changes arising from mutation (which is itself highly sensitive to temperature). Some nonenzymatic catalysts of slow reactions, including PLP as a catalyst of amino acid decarboxylation, and the Ce(IV) ion as a catalyst of phosphate ester hydrolysis, have been shown to meet that criterion. The work reviewed here suggests that elevated temperatures collapsed the time required for early evolution on Earth, furnishing an appropriate setting for exploring the vast range of chemical possibilities and for the rapid evolution of enzymes from primitive catalysts.

  2. Novel Infrared Dynamics of Cold Atoms on Hot Graphene

    NASA Astrophysics Data System (ADS)

    Sengupta, Sanghita; Kotov, Valeri; Clougherty, Dennis

    The low-energy dynamics of cold atoms interacting with macroscopic graphene membranes exhibits severe infrared divergences when treated perturbatively. These infrared problems are even more pronounced at finite temperature due to the (infinitely) many flexural phonons excited in graphene. We have devised a technique to take account (resummation) of such processes in the spirit of the well-known exact solution of the independent boson model. Remarkably, there is also similarity to the infrared problems and their treatment (via the Bloch-Nordsieck scheme) in finite temperature ``hot'' quantum electrodynamics and chromodynamics due to the long-range, unscreened nature of gauge interactions. The method takes into account correctly the strong damping provided by the many emitted phonons at finite temperature. In our case, the inverse membrane size plays the role of an effective low-energy scale, and, unlike the above mentioned field theories, there remains an unusual, highly nontrivial dependence on that scale due to the 2D nature of the problem. We present detailed results for the sticking (atomic damping rate) rate of cold atomic hydrogen as a function of the membrane temperature and size. We find that the rate is very strongly dependent on both quantities.

  3. Hot hydrogen and oxygen atoms in the upper atmospheres of Venus and Mars

    NASA Technical Reports Server (NTRS)

    Nagy, Andrew F.; Kim, Jhoon; Cravens, Thomas E.

    1990-01-01

    Optical observations of hot atoms in the atmospheres of Venus and Mars are briefly reviewed. A summary of hot hydrogen and oxygen production and loss processes is given. Results of some recent model calculations as well as a number of new results of the hot hydrogen and oxygen populations are presented and their implication in terms of solar wind interaction processes is discussed.

  4. Effects of surface chemistry on hot corrosion life

    NASA Technical Reports Server (NTRS)

    Fryxell, R. E.; Gupta, B. K.

    1984-01-01

    Hot corrosion life prediction methodology based on a combination of laboratory test data and field service turbine components, which show evidence of hot corrosion, were examined. Components were evaluated by optical metallography, scanning electron microscopy (SEM), and electron micropulse (EMP) examination.

  5. Pre-cometary ice composition from hot core chemistry.

    PubMed

    Tornow, Carmen; Kührt, Ekkehard; Motschmann, Uwe

    2005-10-01

    Pre-cometary ice located around star-forming regions contains molecules that are pre-biotic compounds or pre-biotic precursors. Molecular line surveys of hot cores provide information on the composition of the ice since it sublimates near these sites. We have combined a hydrostatic hot core model with a complex network of chemical reactions to calculate the time-dependent abundances of molecules, ions, and radicals. The model considers the interaction between the ice and gas phase. It is applied to the Orion hot core where high-mass star formation occurs, and to the solar-mass binary protostar system IRAS 16293-2422. Our calculations show that at the end of the hot core phase both star-forming sites produce the same prebiotic CN-bearing molecules. However, in the Orion hot core these molecules are formed in larger abundances. A comparison of the calculated values with the abundances derived from the observed line data requires a chemically unprocessed molecular cloud as the initial state of hot core evolution. Thus, it appears that these objects are formed at a much younger cloud stage than previously thought. This implies that the ice phase of the young clouds does not contain CN-bearing molecules in large abundances before the hot core has been formed. The pre-biotic molecules synthesized in hot cores cause a chemical enrichment in the gas phase and in the pre-cometary ice. This enrichment is thought to be an important extraterrestrial aspect of the formation of life on Earth and elsewhere.

  6. Pre-Cometary Ice Composition from Hot Core Chemistry

    NASA Astrophysics Data System (ADS)

    Tornow, Carmen; Kührt, Ekkehard; Motschmann, Uwe

    2005-10-01

    Pre-cometary ice located around star-forming regions contains molecules that are pre-biotic compounds or pre-biotic precursors. Molecular line surveys of hot cores provide information on the composition of the ice since it sublimates near these sites. We have combined a hydrostatic hot core model with a complex network of chemical reactions to calculate the timedependent abundances of molecules, ions, and radicals. The model considers the interaction between the ice and gas phase. It is applied to the Orion hot core where high-mass star formation occurs, and to the solar-mass binary protostar system IRAS 16293-2422. Our calculations show that at the end of the hot core phase both star-forming sites produce the same prebiotic CN-bearing molecules. However, in the Orion hot core these molecules are formed in larger abundances. A comparison of the calculated values with the abundances derived from the observed line data requires a chemically unprocessed molecular cloud as the initial state of hot core evolution. Thus, it appears that these objects are formed at a much younger cloud stage than previously thought. This implies that the ice phase of the young clouds does not contain CN-bearing molecules in large abundances before the hot core has been formed. The pre-biotic molecules synthesized in hot cores cause a chemical enrichment in the gas phase and in the pre-cometary ice. This enrichment is thought to be an important extraterrestrial aspect of the formation of life on Earth and elsewhere.

  7. Effects of surface chemistry on hot corrosion life

    NASA Technical Reports Server (NTRS)

    Fryxell, R. E.

    1984-01-01

    Baseline burner rig hot corrosion with Udimet 700, Rene' 80; uncoated and with RT21, Codep, or NiCoCrAlY coatings were tested. Test conditions are: 900C, hourly thermal cycling, 0.5 ppm sodium as NaCl in the gas stream, velocity 0.3 Mach. The uncoated alloys exhibited substantial typical sulfidation in the range of 140 to 170 hours. The aluminide coatings show initial visual evidence of hot corrosion at about 400 hours, however, there is no such visual evidence for the NiCoCrAlY coatings. The turbine components show sulfidation. The extent of this distress appeared to be inversely related to the average length of mission which may, reflect greater percentage of operating time near ground level or greater percentage of operation time at takeoff conditions (higher temperatures). In some cases, however, the location of maximum distress did not exhibit the structural features of hot corrosion.

  8. Getting the chemistry right: protonation, tautomers and the importance of H atoms in biological chemistry.

    PubMed

    Bax, Ben; Chung, Chun Wa; Edge, Colin

    2017-02-01

    There are more H atoms than any other type of atom in an X-ray crystal structure of a protein-ligand complex, but as H atoms only have one electron they diffract X-rays weakly and are `hard to see'. The positions of many H atoms can be inferred by our chemical knowledge, and such H atoms can be added with confidence in `riding positions'. For some chemical groups, however, there is more ambiguity over the possible hydrogen placements, for example hydroxyls and groups that can exist in multiple protonation states or tautomeric forms. This ambiguity is far from rare, since about 25% of drugs have more than one tautomeric form. This paper focuses on the most common, `prototropic', tautomers, which are isomers that readily interconvert by the exchange of an H atom accompanied by the switch of a single and an adjacent double bond. Hydrogen-exchange rates and different protonation states of compounds (e.g. buffers) are also briefly discussed. The difference in heavy (non-H) atom positions between two tautomers can be small, and careful refinement of all possible tautomers may single out the likely bound ligand tautomer. Experimental methods to determine H-atom positions, such as neutron crystallography, are often technically challenging. Therefore, chemical knowledge and computational approaches are frequently used in conjugation with experimental data to deduce the bound tautomer state. Proton movement is a key feature of many enzymatic reactions, so understanding the orchestration of hydrogen/proton motion is of critical importance to biological chemistry. For example, structural studies have suggested that, just as a chemist may use heat, some enzymes use directional movement to protonate specific O atoms on phosphates to catalyse phosphotransferase reactions. To inhibit `wriggly' enzymes that use movement to effect catalysis, it may be advantageous to have inhibitors that can maintain favourable contacts by adopting different tautomers as the enzyme `wriggles'.

  9. Getting the chemistry right: protonation, tautomers and the importance of H atoms in biological chemistry

    PubMed Central

    Bax, Ben; Chung, Chun-wa; Edge, Colin

    2017-01-01

    There are more H atoms than any other type of atom in an X-ray crystal structure of a protein–ligand complex, but as H atoms only have one electron they diffract X-rays weakly and are ‘hard to see’. The positions of many H atoms can be inferred by our chemical knowledge, and such H atoms can be added with confidence in ‘riding positions’. For some chemical groups, however, there is more ambiguity over the possible hydrogen placements, for example hydroxyls and groups that can exist in multiple protonation states or tautomeric forms. This ambiguity is far from rare, since about 25% of drugs have more than one tautomeric form. This paper focuses on the most common, ‘prototropic’, tautomers, which are isomers that readily interconvert by the exchange of an H atom accompanied by the switch of a single and an adjacent double bond. Hydrogen-exchange rates and different protonation states of compounds (e.g. buffers) are also briefly discussed. The difference in heavy (non-H) atom positions between two tautomers can be small, and careful refinement of all possible tautomers may single out the likely bound ligand tautomer. Experimental methods to determine H-atom positions, such as neutron crystallography, are often technically challenging. Therefore, chemical knowledge and computational approaches are frequently used in conjugation with experimental data to deduce the bound tautomer state. Proton movement is a key feature of many enzymatic reactions, so understanding the orchestration of hydrogen/proton motion is of critical importance to biological chemistry. For example, structural studies have suggested that, just as a chemist may use heat, some enzymes use directional movement to protonate specific O atoms on phosphates to catalyse phosphotransferase reactions. To inhibit ‘wriggly’ enzymes that use movement to effect catalysis, it may be advantageous to have inhibitors that can maintain favourable contacts by adopting different tautomers as the enzyme

  10. Infusing the Chemistry Curriculum with Green Chemistry Using Real-World Examples, Web Modules, and Atom Economy in Organic Chemistry Courses

    ERIC Educational Resources Information Center

    Cann, Michael C.; Dickneider, Trudy A.

    2004-01-01

    Green chemistry is the awareness of the damaging environmental effects due to chemical research and inventions. There is emphasis on a need to include green chemistry in synthesis with atom economy in organic chemistry curriculum to ensure an environmentally conscious future generation of chemists, policy makers, health professionals and business…

  11. The Relation Between Alloy Chemistry and Hot-Cracking

    NASA Technical Reports Server (NTRS)

    Nunes, A. C., Jr.; Talia, J. E.

    2000-01-01

    Hot cracking is a problem in welding 2195 aluminum-lithium alloy. Weld wire additives seem to reduce the problem. This study proposes a model intended to clarify the way alloying elements affect hot-cracking. The brittle temperature range of an alloy extends wherever the tensile stress required to move the meniscus of the liquid film at the grain/dendrite boundaries is less than the bulks flow stress Sigma(sub B) of the grains: 2gamma/delta <= sigma(sub B) + P where gamma is boundary film surface tension delta= boundary film thickness P = gas pressure (Some alloys outgas.) If the above condition is not met, the grains deform under stress and the liquid film remains in place. Curves of 2gamma/delta and sigma(sub B) vs. temperature in the range just below the melting temperature determine the hot cracking susceptibility of an alloy. Both are zero at onset of solidification. sigma(sub B) rises as the thermal activation of the slip mechanism is reduced. 2gamma/delta rises as the film thickness delta which can be estimated from the Scheil equation, drops. But, given an embrittled alloy, whether the alloy actually cracks is determined by the strain imposed upon it in the embrittled condition. A critical strain is estimated, Epsilon(sub C) on the order of Epsilon(sub C) is approximately delta/l where L = grain size and where the the volume increment due to the strain, concentrated at the liquid film, is on the order of the liquid film volume. In the early 80's an empirical critical strain cracking envelope Epsilon(sub C)(T) was incorporated into a damage criterion to estimate the effect of welding parameters on the formation of microfissures in a superalloy with good results. These concepts, liquid film decoherence vs. grain bulk deformation and critical strain, form the key elements of a quantitative theory of hot-cracking applicable for assessing the effect of alloying elements on hot-cracking during welding.

  12. Hydrogen atom initiated chemistry. [chemical evolution in planetary atmospheres

    NASA Technical Reports Server (NTRS)

    Hong, J. H.; Becker, R. S.

    1979-01-01

    H Atoms have been created by the photolysis of H2S. These then initiated reactions in mixtures involving acetylene-ammonia-water and ethylene-ammonia-water. In the case of the acetylene system, the products consisted of two amino acids, ethylene and a group of primarily cyclic thio-compounds, but no free sulfur. In the case of the ethylene systems, seven amino acids, including an aromatic one, ethane, free sulfur, and a group of solely linear thio-compounds were produced. Total quantum yields for the production of amino acids were about 3 x 10 to the -5th and about 2 x 10 to the -4th with ethylene and acetylene respectively as carbon substrates. Consideration is given of the mechanism for the formation of some of the products and implications regarding planetary atmosphere chemistry, particularly that of Jupiter, are explored.

  13. Effects of surface chemistry on hot corrosion life

    NASA Technical Reports Server (NTRS)

    Fryxell, R. E.; Leese, G. E.

    1986-01-01

    Burner rig tests were conducted under the following conditions: 900 C, hourly thermal cycling, 0.5 ppm sodium as NaCl in the gas stream, and Mach 0.3 velocity. The alloys tested were Udimet 700 (U700) and Rene 80, uncoated and with RT21, Codep, or NiCoCrAlY coatings. The tests, up to 1000 hours, included specimens in the as-processed condition and after aging at 1100 C in oxidizing or inert environments for up to 600 hours. Coil-inductance changes were measured for periodic nondestructive inspection of speciments and found useful in the following course of corrosion. Typical sulfidation observed in all cases was similar to that observed in service-run turbine components. Aging at 1100 C caused severe decrease in the hot corrosion life of RT21 and Codep coatings and a significant but lesser decrease in the life of NiCoCrAlY coatings. The extent of these decreases was much greater for all three coatings on U700 than on Rene substrates. A coating hot corrosion life-predicitin model was proposed. The model requires time/temperature information for a turbine component at takeoff conditions as well as environmental contaminant information.

  14. A hot-atom reaction kinetic model for H abstraction from solid surfaces

    NASA Astrophysics Data System (ADS)

    Kammler, Th.; Kolovos-Vellianitis, D.; Küppers, J.

    2000-07-01

    Measurements of the abstraction reaction kinetics in the interaction of gaseous H atoms with D adsorbed on metal and semiconductor surfaces, H(g)+D(ad)/S→ products, have shown that the kinetics of the HD products are at variance with the expectations drawn from the operation of Eley-Rideal mechanisms. Furthermore, in addition to HD product molecules, D 2 products were observed which are not expected in an Eley-Rideal scenario. Products and kinetics of abstraction reactions on Ni(100), Pt(111), and Cu(111) surfaces were recently explained by a random-walk model based solely on the operation of hot-atom mechanistic steps. Based on the same reaction scenario, the present work provides numerical solutions of the appropriate kinetic equations in the limit of the steady-state approximation for hot-atom species. It is shown that the HD and D 2 product kinetics derived from global kinetic rate constants are the same as those obtained from local probabilities in the random walk model. The rate constants of the hot-atom kinetics provide a background for the interpretation of measured data, which was missing up to now. Assuming that reconstruction affects the competition between hot-atom sticking and hot-atom reaction, the application of the present model at D abstraction from Cu(100) surfaces reproduces the essential characteristics of the experimentally determined kinetics.

  15. Let Students Derive, by Themselves, Two-Dimensional Atomic and Molecular Quantum Chemistry from Scratch

    ERIC Educational Resources Information Center

    Ge, Yingbin

    2016-01-01

    Hands-on exercises are designed for undergraduate physical chemistry students to derive two-dimensional quantum chemistry from scratch for the H atom and H[subscript 2] molecule, both in the ground state and excited states. By reducing the mathematical complexity of the traditional quantum chemistry teaching, these exercises can be completed…

  16. Effects of surface chemistry on hot corrosion life

    NASA Technical Reports Server (NTRS)

    Fryxell, R. E.

    1985-01-01

    Burner rig tests were conducted under the following conditions: 900 C, hourly thermal cycling, 0.5 ppm sodium as MaCl in the gas stream, velocity 0.3 Mach. The alloys are Udiment 700, Rene 80, uncoated and with RT21, Codep, or NiCoCrAlY coatings. These tests were completed for specimens in the as-processed condition and after aging at 1100 C in oxidizing or inert evnivronments for time up to 600 hours. Coil inductance changes used for periodic nondestructive inspection of specimens were useful in following the course of corrosion. Typical sulfidation was observed in all cases, structurally similar to that observed for service-run turbine components. Aging at cuased a severe decrease in hot corrosion life of RT21 and Codep coatings and a significant but less decrease in the life of the NiCoCrAlY coating. The extent of these decreases was much greater for all three coatings on U700 substrates than on Rene 80 substrates. Coating/substrate interdiffusion rather than by surface oxidation.

  17. Infrared dynamics of cold atoms on hot graphene membranes

    NASA Astrophysics Data System (ADS)

    Sengupta, Sanghita; Kotov, Valeri N.; Clougherty, Dennis P.

    2016-06-01

    We study the infrared dynamics of low-energy atoms interacting with a sample of suspended graphene at finite temperature. The dynamics exhibits severe infrared divergences order by order in perturbation theory as a result of the singular nature of low-energy flexural phonon emission. Our model can be viewed as a two-channel generalization of the independent boson model with asymmetric atom-phonon coupling. This allows us to take advantage of the exact nonperturbative solution of the independent boson model in the stronger channel while treating the weaker one perturbatively. In the low-energy limit, the exact solution can be viewed as a resummation (exponentiation) of the most divergent diagrams in the perturbative expansion. As a result of this procedure, we obtain the atom's Green function which we use to calculate the atom damping rate, a quantity equal to the quantum sticking rate. A characteristic feature of our results is that the Green's function retains a weak, infrared cutoff dependence that reflects the reduced dimensionality of the problem. As a consequence, we predict a measurable dependence of the sticking rate on graphene sample size. We provide detailed predictions for the sticking rate of atomic hydrogen as a function of temperature and sample size. The resummation yields an enhanced sticking rate relative to the conventional Fermi golden rule result (equivalent to the one-loop atom self-energy), as higher-order processes increase damping at finite temperature.

  18. Unraveling the complex chemistry using dimethylsilane as a precursor gas in hot wire chemical vapor deposition.

    PubMed

    Toukabri, Rim; Shi, Yujun

    2014-05-07

    The gas-phase reaction chemistry when using dimethylsilane (DMS) as a source gas in a hot-wire chemical vapor deposition (CVD) process has been studied in this work. The complex chemistry is unraveled by using a soft 10.5 eV single photon ionization technique coupled with time-of-flight mass spectrometry in combination with the isotope labelling and chemical trapping methods. It has been demonstrated that both free-radical reactions and those involving silylene/silene intermediates are important. The reaction chemistry is characterized by the formation of 1,1,2,2-tetramethyldisilane (TMDS) from dimethylsilylene insertion into the Si-H bond of DMS, trimethylsilane (TriMS) from free-radical recombination, and 1,3-dimethyl-1,3-disilacyclobutane (DMDSCB) from the self dimerization of either dimethylsilylene or 1-methylsilene. At low filament temperatures and short reaction time, silylene chemistry dominates. The free-radical reactions become more important with increasing temperature and time. The same three products have been detected when using tantalum and tungsten filaments, indicating that changing the filament material from Ta to W does not affect much the gas-phase reaction chemistry when using DMS as a source gas in a hot-wire CVD reactor.

  19. Atomically resolved real-space imaging of hot electron dynamics

    PubMed Central

    Lock, D.; Rusimova, K. R.; Pan, T. L.; Palmer, R. E.; Sloan, P. A.

    2015-01-01

    The dynamics of hot electrons are central to understanding the properties of many electronic devices. But their ultra-short lifetime, typically 100 fs or less, and correspondingly short transport length-scale in the nanometre range constrain real-space investigations. Here we report variable temperature and voltage measurements of the nonlocal manipulation of adsorbed molecules on the Si(111)-7 × 7 surface in the scanning tunnelling microscope. The range of the nonlocal effect increases with temperature and, at constant temperature, is invariant over a wide range of electron energies. The measurements probe, in real space, the underlying hot electron dynamics on the 10 nm scale and are well described by a two-dimensional diffusive model with a single decay channel, consistent with 2-photon photo-emission (2PPE) measurements of the real time dynamics. PMID:26387703

  20. Hot atom reactions involving multivalent and univalent species. Final report

    SciTech Connect

    Tang, Y.N.

    1984-01-01

    The main achievements of this contract are in three areas: (1) radiotracer catalytic studies, (2) recoil Carbon-11 atom reactions, and (3) recoil Silicon-31 atom reactions. In radiotracer catalytic studies, we have shown that the major effect of activated carbon as a supporting material is to shift the absorbed hydrogen from the Pd(100) and Pd(110) surfaces to the Pd(111) surface. In the recoil Carbon-11 studies, the results suggest that a direct double bond insertion process is operative at high energy. In addition, these results indicate that while singlet carbon atoms are selective in undergoing double bond interactions, triplet carbon atoms are the sole reactants in the C-H insertion process. In the recoil Silicon-31 studies, we have established the formation of silylenes such as /sup 31/SiF/sub 2/ in these systems. We have studied the interactions of /sup 31/Si atoms and /sup 31/SiF/sub 2/ with alkenes and dienes to give silacyclopentenes or silacyclopentadienes.

  1. Co-Occurring Atomic Contacts for the Characterization of Protein Binding Hot Spots.

    PubMed

    Liu, Qian; Ren, Jing; Song, Jiangning; Li, Jinyan

    2015-01-01

    A binding hot spot is a small area at a protein-protein interface that can make significant contribution to binding free energy. This work investigates the substantial contribution made by some special co-occurring atomic contacts at a binding hot spot. A co-occurring atomic contact is a pair of atomic contacts that are close to each other with no more than three covalent-bond steps. We found that two kinds of co-occurring atomic contacts can play an important part in the accurate prediction of binding hot spot residues. One is the co-occurrence of two nearby hydrogen bonds. For example, mutations of any residue in a hydrogen bond network consisting of multiple co-occurring hydrogen bonds could disrupt the interaction considerably. The other kind of co-occurring atomic contact is the co-occurrence of a hydrophobic carbon contact and a contact between a hydrophobic carbon atom and a π ring. In fact, this co-occurrence signifies the collective effect of hydrophobic contacts. We also found that the B-factor measurements of several specific groups of amino acids are useful for the prediction of hot spots. Taking the B-factor, individual atomic contacts and the co-occurring contacts as features, we developed a new prediction method and thoroughly assessed its performance via cross-validation and independent dataset test. The results show that our method achieves higher prediction performance than well-known methods such as Robetta, FoldX and Hotpoint. We conclude that these contact descriptors, in particular the novel co-occurring atomic contacts, can be used to facilitate accurate and interpretable characterization of protein binding hot spots.

  2. Co-Occurring Atomic Contacts for the Characterization of Protein Binding Hot Spots

    PubMed Central

    Liu, Qian; Ren, Jing; Song, Jiangning; Li, Jinyan

    2015-01-01

    A binding hot spot is a small area at a protein-protein interface that can make significant contribution to binding free energy. This work investigates the substantial contribution made by some special co-occurring atomic contacts at a binding hot spot. A co-occurring atomic contact is a pair of atomic contacts that are close to each other with no more than three covalent-bond steps. We found that two kinds of co-occurring atomic contacts can play an important part in the accurate prediction of binding hot spot residues. One is the co-occurrence of two nearby hydrogen bonds. For example, mutations of any residue in a hydrogen bond network consisting of multiple co-occurring hydrogen bonds could disrupt the interaction considerably. The other kind of co-occurring atomic contact is the co-occurrence of a hydrophobic carbon contact and a contact between a hydrophobic carbon atom and a π ring. In fact, this co-occurrence signifies the collective effect of hydrophobic contacts. We also found that the B-factor measurements of several specific groups of amino acids are useful for the prediction of hot spots. Taking the B-factor, individual atomic contacts and the co-occurring contacts as features, we developed a new prediction method and thoroughly assessed its performance via cross-validation and independent dataset test. The results show that our method achieves higher prediction performance than well-known methods such as Robetta, FoldX and Hotpoint. We conclude that these contact descriptors, in particular the novel co-occurring atomic contacts, can be used to facilitate accurate and interpretable characterization of protein binding hot spots. PMID:26675422

  3. Atomic Structure. Independent Learning Project for Advanced Chemistry (ILPAC). Unit S2.

    ERIC Educational Resources Information Center

    Inner London Education Authority (England).

    This unit on atomic structure is one of 10 first year units produced by the Independent Learning Project for Advanced Chemistry (ILPAC). The unit consists of two levels. Level one focuses on the atomic nucleus. Level two focuses on the arrangement of extranuclear electrons, approaching atomic orbitals through both electron bombardment and spectra.…

  4. Dry soldering with hot filament produced atomic hydrogen

    DOEpatents

    Panitz, Janda K. G.; Jellison, James L.; Staley, David J.

    1995-01-01

    A system for chemically transforming metal surface oxides to metal that is especially, but not exclusively, suitable for preparing metal surfaces for dry soldering and solder reflow processes. The system employs one or more hot, refractory metal filaments, grids or surfaces to thermally dissociate molecular species in a low pressure of working gas such as a hydrogen-containing gas to produce reactive species in a reactive plasma that can chemically reduce metal oxides and form volatile compounds that are removed in the working gas flow. Dry soldering and solder reflow processes are especially applicable to the manufacture of printed circuit boards, semiconductor chip lead attachment and packaging multichip modules. The system can be retrofitted onto existing metal treatment ovens, furnaces, welding systems and wave soldering system designs.

  5. Dry soldering with hot filament produced atomic hydrogen

    DOEpatents

    Panitz, J.K.G.; Jellison, J.L.; Staley, D.J.

    1995-04-25

    A system is disclosed for chemically transforming metal surface oxides to metal that is especially, but not exclusively, suitable for preparing metal surfaces for dry soldering and solder reflow processes. The system employs one or more hot, refractory metal filaments, grids or surfaces to thermally dissociate molecular species in a low pressure of working gas such as a hydrogen-containing gas to produce reactive species in a reactive plasma that can chemically reduce metal oxides and form volatile compounds that are removed in the working gas flow. Dry soldering and solder reflow processes are especially applicable to the manufacture of printed circuit boards, semiconductor chip lead attachment and packaging multichip modules. The system can be retrofitted onto existing metal treatment ovens, furnaces, welding systems and wave soldering system designs. 1 fig.

  6. On the role of 'hot' atoms in plasma-assisted ignition.

    PubMed

    Starikovskiy, Andrey Yu

    2015-08-13

    This paper discusses the processes leading to the formation of 'hot' atoms and radicals possessing excessive translational energy in high-voltage NS pulse discharges. It is shown that the formation of such 'hot' atoms occurs efficiently both in the dissociation of molecules by direct electron impact, and in the collisional quenching of electronically excited states. Depending on the magnitude of the reduced electric field in the discharge, reactions of these 'hot' atoms increase the initial concentration of radicals in the discharge afterglow two to three times when compared with the values calculated without effects of translational non-equilibrium. The role of thermally non-equilibrium excitation has been demonstrated in the formation of the initial distribution of the chemically active components in the mixture and its influence on the kinetics of ignition initiation at low and high temperatures. It was found that in undiluted mixtures the presence of 'hot' atoms can significantly decrease an ignition threshold and accelerate a low-temperature oxidation.

  7. Atoms-First Curriculum: A Comparison of Student Success in General Chemistry

    ERIC Educational Resources Information Center

    Esterling, Kevin M.; Bartels, Ludwig

    2013-01-01

    We present an evaluation of the impact of an atoms-first curriculum on student success in introductory chemistry classes and find that initially a lower fraction of students obtain passing grades in the first and second quarters of the general chemistry series. This effect is more than reversed for first-quarter students after one year of…

  8. Secondary Students' Mental Models of Atoms and Molecules: Implications for Teaching Chemistry.

    ERIC Educational Resources Information Center

    Harrison, Allan G.; Treagust, David F.

    1996-01-01

    Examines the reasoning behind views of atoms and molecules held by students (n=48) and investigates how mental models may assist or hamper further instruction in chemistry. Reports that students prefer models of atoms and molecules that depict them as discrete, concrete structures. Recommends that teachers develop student modeling skills and…

  9. Atomic Orbitals, Molecular Orbitals and Related Concepts: Conceptual Difficulties among Chemistry Students.

    ERIC Educational Resources Information Center

    Tsaparlis, Georgios

    1997-01-01

    Investigates the impact an undergraduate quantum chemistry course has on students' knowledge and understanding of atomic orbitals, molecular orbitals, and related concepts. Analysis reveals that students do not have a clear understanding of these concepts and confuse the various atomic orbital representations. Includes some suggestions and…

  10. Possibility of nonexistence of hot and superhot hydrogen atoms in electrical discharges

    SciTech Connect

    Loureiro, J.; Amorim, J.

    2010-09-15

    Recently, the existence of extremely energetic hydrogen atoms in electrical discharges has been proposed in the literature with large controversy, from the analysis of the anomalous broadening of hydrogen Balmer lines. In this paper, the velocity distribution of H atoms and the profiles of the emitting atom lines created by the exothermic reaction H{sub 2}{sup +}+H{sub 2}{yields}H{sub 3}{sup +}+H+{Delta}E are calculated, as a function of the internal energy defect {Delta}E. The shapes found for the non-Maxwell-Boltzmann distributions resulting in non-Gaussian line profiles raise serious arguments against the existence of hot and superhot H atoms as it has been proposed, at least with those temperatures.

  11. Verification survey of the hot cell facility site, General Atomics, San Diego, California

    SciTech Connect

    Adams, W. C.

    2000-06-30

    From 1958, General Atomics maintain a hot cell facility in support of government-funded research into reactor fuels. As the use of the facility declined, General Atomics entered into an agreement with DOE to dismantle the facility and decontaminate and decommission (D&D) the site so that it could made available for unrestricted use. The Environmental Survey and Site Assessment Program (ESSAP) was requested to verify the final radiological status of the D&D effort. This is the report of ESSAP survey and verification activities conducted at the San Diego site from November 1999 through March 2000.

  12. L483: Warm Carbon-chain Chemistry Source Harboring Hot Corino Activity

    NASA Astrophysics Data System (ADS)

    Oya, Yoko; Sakai, Nami; Watanabe, Yoshimasa; Higuchi, Aya E.; Hirota, Tomoya; López-Sepulcre, Ana; Sakai, Takeshi; Aikawa, Yuri; Ceccarelli, Cecilia; Lefloch, Bertrand; Caux, Emmanuel; Vastel, Charlotte; Kahane, Claudine; Yamamoto, Satoshi

    2017-03-01

    The Class 0 protostar, L483, has been observed in various molecular lines in the 1.2 mm band at a subarcsecond resolution with ALMA. An infalling–rotating envelope is traced by the CS line, while a very compact component with a broad velocity width is observed for the CS, SO, HNCO, NH2CHO, and HCOOCH3 lines. Although this source is regarded as the warm carbon-chain chemistry (WCCC) candidate source at a 1000 au scale, complex organic molecules characteristic of hot corinos such as NH2CHO and HCOOCH3 are detected in the vicinity of the protostar. Thus, both hot corino chemistry and WCCC are seen in L483. Although such a mixed chemical character source has been recognized as an intermediate source in previous single-dish observations, we here report the first spatially resolved detection. A kinematic structure of the infalling–rotating envelope is roughly explained by a simple ballistic model with a protostellar mass of 0.1–0.2 {M}ȯ and a radius of the centrifugal barrier (half of the centrifugal radius) of 30–200 au, assuming an inclination angle of 80° (0° for face-on). The broad-line emission observed in the above molecules most likely comes from the disk component inside the centrifugal barrier. Thus, a drastic chemical change is seen around the centrifugal barrier.

  13. Two-color ghost interference with photon pairs generated in hot atoms

    SciTech Connect

    Ding Dongsheng; Zhou Zhiyuan; Shi Baosen; Zou Xubo; Guo Guangcan

    2012-09-15

    We report on an experimental observation of a two-photon ghost interference experiment. A distinguishing feature of our experiment is that the photons are generated via a non-degenerated spontaneous four-wave mixing process in a hot atomic ensemble; therefore the photon has narrow bandwidth. Besides, there is a large difference in frequency between two photons in a pair. Our works may be important to achieve more secure, large transmission capacity long-distance quantum communication.

  14. Equilibrium Chemistry of the Atmospheres of Hot Earth-like Exoplanets

    NASA Astrophysics Data System (ADS)

    Schaefer, Laura; Lodders, K.; Fegley, B.

    2010-10-01

    The Kepler and COROT missions and Earth-based observations have discovered putative rocky exoplanets and at least some of these are very hot because they orbit their stars at close distance, e.g., CoRot-7b. Here we discuss atmospheric chemistry for an Earth-like planet hot enough to vaporize its crust. We computed the chemical equilibrium composition of a system with elemental abundances of the terrestrial continental crust from 500 - 4000 K as a function of pressure from 10-6 to 10+2.5 bars. Calculations were done with a Gibbs energy minimization code. We will present results for the major volatile elements H, C, N, O, and S, and the lithophile elements Na, K, Fe, Si, Mg, Al, Ca, and Ti at a nominal pressure of 100 bars as a function of temperature. The major gases are H2O and CO2 at low temperatures, and SiO, O, H, and O2 at high temperatures. We also present condensation temperatures for major compounds as a function of pressure, which will be useful in determining cloud composition. These results should be useful in planning spectroscopic studies of the atmospheres of hot Earth-like exoplanets. This work was supported by the NSF Astronomy Program and the NASA Astrobiology Program.

  15. Symmetry in chemistry from the hydrogen atom to proteins

    PubMed Central

    Kellman, Michael E.

    1996-01-01

    The last 2 decades have seen discoveries in highly excited states of atoms and molecules of phenomena that are qualitatively different from the “planetary” model of the atom, and the near-rigid model of molecules, characteristic of these systems in their low-energy states. A unified view is emerging in terms of approximate dynamical symmetry principles. Highly excited states of two-electron atoms display “molecular” behavior of a nonrigid linear structure undergoing collective rotation and vibration. Highly excited states of molecules described in the “standard molecular model” display normal mode couplings, which induce bifurcations on the route to molecular chaos. New approaches such as rigid–nonrigid correlation, vibrons, and quantum groups suggest a unified view of collective electronic motion in atoms and nuclear motion in molecules. PMID:8962040

  16. Chemical Principles Revisited: Updating the Atomic Theory in General Chemistry.

    ERIC Educational Resources Information Center

    Whitman, Mark

    1984-01-01

    Presents a descriptive overview of recent achievements in atomic structure to provide instructors with the background necessary to enhance their classroom presentations. Topics considered include hadrons, quarks, leptons, forces, and the unified fields theory. (JN)

  17. Subnatural-linewidth biphotons from a Doppler-broadened hot atomic vapour cell

    PubMed Central

    Shu, Chi; Chen, Peng; Chow, Tsz Kiu Aaron; Zhu, Lingbang; Xiao, Yanhong; Loy, M.M.T.; Du, Shengwang

    2016-01-01

    Entangled photon pairs, termed as biphotons, have been the benchmark tool for experimental quantum optics. The quantum-network protocols based on photon–atom interfaces have stimulated a great demand for single photons with bandwidth comparable to or narrower than the atomic natural linewidth. In the past decade, laser-cooled atoms have often been used for producing such biphotons, but the apparatus is too large and complicated for engineering. Here we report the generation of subnatural-linewidth (<6 MHz) biphotons from a Doppler-broadened (530 MHz) hot atomic vapour cell. We use on-resonance spontaneous four-wave mixing in a hot paraffin-coated 87Rb vapour cell at 63 °C to produce biphotons with controllable bandwidth (1.9–3.2 MHz) and coherence time (47–94 ns). Our backward phase-matching scheme with spatially separated optical pumping is the key to suppress uncorrelated photons from resonance fluorescence. The result may lead towards miniature narrowband biphoton sources. PMID:27658721

  18. Subnatural-linewidth biphotons from a Doppler-broadened hot atomic vapour cell

    NASA Astrophysics Data System (ADS)

    Shu, Chi; Chen, Peng; Chow, Tsz Kiu Aaron; Zhu, Lingbang; Xiao, Yanhong; Loy, M. M. T.; Du, Shengwang

    2016-09-01

    Entangled photon pairs, termed as biphotons, have been the benchmark tool for experimental quantum optics. The quantum-network protocols based on photon-atom interfaces have stimulated a great demand for single photons with bandwidth comparable to or narrower than the atomic natural linewidth. In the past decade, laser-cooled atoms have often been used for producing such biphotons, but the apparatus is too large and complicated for engineering. Here we report the generation of subnatural-linewidth (<6 MHz) biphotons from a Doppler-broadened (530 MHz) hot atomic vapour cell. We use on-resonance spontaneous four-wave mixing in a hot paraffin-coated 87Rb vapour cell at 63 °C to produce biphotons with controllable bandwidth (1.9-3.2 MHz) and coherence time (47-94 ns). Our backward phase-matching scheme with spatially separated optical pumping is the key to suppress uncorrelated photons from resonance fluorescence. The result may lead towards miniature narrowband biphoton sources.

  19. Transverse azimuthal dephasing of a vortex spin wave in a hot atomic gas

    NASA Astrophysics Data System (ADS)

    Shi, Shuai; Ding, Dong-Sheng; Zhang, Wei; Zhou, Zhi-Yuan; Dong, Ming-Xin; Liu, Shi-Long; Wang, Kai; Shi, Bao-Sen; Guo, Guang-Can

    2017-03-01

    An optical field with orbital angular momentum (OAM) has many remarkable properties due to its unique azimuthal phase, showing many potential applications in high-capacity information processing such as terabit free-space data transmission, and high-precision measurement such as high sensitivity of angular resolution. The dephasing mechanisms of optical fields in an interface between light and matter play a vital role in OAM storage. In this work, we study the transverse azimuthal dephasing of an OAM spin wave in a hot atomic gas via OAM storage. We find that the transverse azimuthal phase difference between the control and probe beams is mapped onto the spin wave, and the atomic motion during the storage results in dephasing of the atomic spin wave with transverse azimuthal phase. The dephasing of the OAM spin wave is related to the OAM's topological charge and the beam waist. Our results are helpful for studying OAM light interaction with matter.

  20. Atomic structure and chemistry of human serum albumin

    NASA Technical Reports Server (NTRS)

    He, Xiao M.; Carter, Daniel C.

    1992-01-01

    The three-dimensional structure of human serum albumin has been determined crystallographically to a resolution of 2.8 A. It comprises three homologous domains that assemble to form a heart-shaped molecule. Each domain is a product of two subdomains that possess common structural motifs. The principal regions of ligand binding to human serum albumin are located in hydrophobic cavities in subdomains IIA and ILIA, which exhibit similar chemistry. The structure explains numerous physical phenomena and should provide insight into future pharmacokinetic and genetically engineered therapeutic applications of serum albumin.

  1. Infrared light emission from nano hot electron gas created in atomic point contacts

    NASA Astrophysics Data System (ADS)

    Malinowski, T.; Klein, H. R.; Iazykov, M.; Dumas, Ph.

    2016-06-01

    Gold atomic point contacts are prototype systems to evidence ballistic electron transport. The typical dimension of the nanojunction being smaller than the electron-phonon interaction length, even at room temperature, electrons transfer their excess energy to the lattice only far from the contact. At the contact however, favored by huge current densities, electron-electron interactions result in a nano hot electron gas acting as a source of photons. Using a home built Mechanically Controlled Break Junction, it is reported here, for the first time, that this nano hot electron gas also radiates in the infrared range (0.2 eV to 1.2 eV). Moreover, following the description introduced by Tomchuk et al. (Sov. Phys.-Solid State, 8 (1966) 2510), we show that this radiation is compatible with a black-body-like spectrum emitted from an electron gas at temperatures of several thousands of kelvins.

  2. The coordination and atom transfer chemistry of titanium porphyrin complexes

    SciTech Connect

    Hays, James Allen

    1993-11-05

    Preparation, characterization, and reactivity of (η2- alkyne)(meso-tetratolylpoprphrinato)titanium(II) complexes are described, along with inetermetal oxygen atom transfer reactions involving Ti(IV) and Ti(III) porphyrin complexes. The η2- alkyne complexes are prepared by reaction of (TTP)TiCl2 with LiAlH4 in presence of alkyne. Structure of (OEP)Ti(η2-Ph-C≡C-Ph) (OEP=octaethylporphryin) was determined by XRD. The compounds undergo simple substitution to displace the alkyne and produce doubly substituted complexes. Structure of (TTP)Ti(4-picoline)2 was also determined by XRD. Reaction of (TTP)Ti=O with (OEP)Ti-Cl yields intermetal O/Cl exchange, which is a one-electron redox process mediated by O atom transfer. Also a zero-electron redox process mediated by atom transfer is observed when (TTP)TiCl2 is reacted with (OEP)Ti=O.

  3. Chemical Structure and Properties: A Modified Atoms-First, One-Semester Introductory Chemistry Course

    ERIC Educational Resources Information Center

    Schaller, Chris P.; Graham, Kate J.; Johnson, Brian J.; Jakubowski, Henry V.; McKenna, Anna G.; McIntee, Edward J.; Jones, T. Nicholas; Fazal, M. A.; Peterson, Alicia A.

    2015-01-01

    A one-semester, introductory chemistry course is described that develops a primarily qualitative understanding of structure-property relationships. Starting from an atoms-first approach, the course examines the properties and three-dimensional structure of metallic and ionic solids before expanding into a thorough investigation of molecules. In…

  4. Generating Molecular Rovibrational Coherence by Two-Photon Femtosecond Photoassociation of Thermally Hot Atoms

    SciTech Connect

    Rybak, Leonid; Levin, Liat; Amitay, Zohar; Amaran, Saieswari; Kosloff, Ronnie; Tomza, Michal; Moszynski, Robert; Koch, Christiane P.

    2011-12-30

    The formation of diatomic molecules with rotational and vibrational coherence is demonstrated experimentally in free-to-bound two-photon femtosecond photoassociation of hot atoms. In a thermal gas at a temperature of 1000 K, pairs of magnesium atoms, colliding in their electronic ground state, are excited into coherent superpositions of bound rovibrational levels in an electronically excited state. The rovibrational coherence is probed by a time-delayed third photon, resulting in quantum beats in the UV fluorescence. A comprehensive theoretical model based on ab initio calculations rationalizes the generation of coherence by Franck-Condon filtering of collision energies and partial waves, quantifying it in terms of an increase in quantum purity of the thermal ensemble. Our results open the way to coherent control of a binary reaction.

  5. Kinetic study on hot-wire-assisted atomic layer deposition of nickel thin films

    SciTech Connect

    Yuan, Guangjie Shimizu, Hideharu; Momose, Takeshi; Shimogaki, Yukihiro

    2014-01-15

    High-purity Ni films were deposited using hot-wire-assisted atomic layer deposition (HW-ALD) at deposition temperatures of 175, 250, and 350 °C. Negligible amount of nitrogen or carbon contamination was detected, even though the authors used NH{sub 2} radical as the reducing agent and nickelocene as the precursor. NH{sub 2} radicals were generated by the thermal decomposition of NH{sub 3} with the assist of HW and used to reduce the adsorbed metal growth precursors. To understand and improve the deposition process, the kinetics of HW-ALD were analyzed using a Langmuir-type model. Unlike remote-plasma-enhanced atomic layer deposition, HW-ALD does not lead to plasma-induced damage. This is a significant advantage, because the authors can supply sufficient NH{sub 2} radicals to deposit high-purity metallic films by adjusting the distance between the hot wire and the substrate. NH{sub 2} radicals have a short lifetime, and it was important to use a short distance between the radical generation site and substrate. Furthermore, the impurity content of the nickel films was independent of the deposition temperature, which is evidence of the temperature-independent nature of the NH{sub 2} radical flux and the reactivity of the NH{sub 2} radicals.

  6. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    SciTech Connect

    Koontz, S.L.; Leger, L.J.; Wu, C.; Cross, J.B.; Jurgensen, C.W. |

    1994-05-01

    Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen `spin-off` or `dual use` technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

  7. The Materials Chemistry of Atomic Oxygen with Applications to Anisotropic Etching of Submicron Structures in Microelectronics and the Surface Chemistry Engineering of Porous Solids

    NASA Technical Reports Server (NTRS)

    Koontz, Steve L.; Leger, Lubert J.; Wu, Corina; Cross, Jon B.; Jurgensen, Charles W.

    1994-01-01

    Neutral atomic oxygen is the most abundant component of the ionospheric plasma in the low Earth orbit environment (LEO; 200 to 700 kilometers altitude) and can produce significant degradation of some spacecraft materials. In order to produce a more complete understanding of the materials chemistry of atomic oxygen, the chemistry and physics of O-atom interactions with materials were determined in three radically different environments: (1) The Space Shuttle cargo bay in low Earth orbit (the EOIM-3 space flight experiment), (2) a high-velocity neutral atom beam system (HVAB) at Los Alamos National Laboratory (LANL), and (3) a microwave-plasma flowing-discharge system at JSC. The Space Shuttle and the high velocity atom beam systems produce atom-surface collision energies ranging from 0.1 to 7 eV (hyperthermal atoms) under high-vacuum conditions, while the flowing discharge system produces a 0.065 eV surface collision energy at a total pressure of 2 Torr. Data obtained in the three different O-atom environments referred to above show that the rate of O-atom reaction with polymeric materials is strongly dependent on atom kinetic energy, obeying a reactive scattering law which suggests that atom kinetic energy is directly available for overcoming activation barriers in the reaction. General relationships between polymer reactivity with O atoms and polymer composition and molecular structure have been determined. In addition, vacuum ultraviolet photochemical effects have been shown to dominate the reaction of O atoms with fluorocarbon polymers. Finally, studies of the materials chemistry of O atoms have produced results which may be of interest to technologists outside the aerospace industry. Atomic oxygen 'spin-off' or 'dual use' technologies in the areas of anisotropic etching in microelectronic materials and device processing, as well as surface chemistry engineering of porous solid materials are described.

  8. Dynamics of the Chemistry of Electronically Excited Atoms in Defined Quantum States.

    DTIC Science & Technology

    1978-05-01

    laser development . In essence, this research concerns itself with the elucidation of the role of electronic energy in affecting the chemistry or photochemistry of excited halogen atoms and molecules. While much is known about the dynamics of chemical and physical processes which are carried out on the lowest potential energy hypersurface correlating with reactants and products in their electronic ground state, relatively little is known about the dynamics of such phenomena as energy transfer and chemical reactivity on higher-lying potential

  9. Optical limiting using spatial self-phase modulation in hot atomic sample

    NASA Astrophysics Data System (ADS)

    Zhang, Qian; Cheng, Xuemei; Zhang, Ying; Yin, Xunli; Jiang, Man; Chen, Haowei; Bai, Jintao

    2017-02-01

    In this work, we characterized the performance of optical limiting by self-phase modulation (SPM) in hot atomic vapor cell. The results indicated that the performance of the optical limiter is closely related to the position of the sample cell, which is determined by the Rayleigh lenght of beam. The lowest limiting threshold and clamp output were obtained at the sample position at -10 mm from the coordinate origin (the beam waist). The phenomenon was explained well by the theory of SPM and z-scan, which are caused by both Kerr effect and the thermal optical nonlinear effect. This useful information obtained in the meaning of this work is determining the optimal position of the sample cell in the optical limiter and other applications of SPM.

  10. Chemistry of the heaviest elements--one atom at a time

    SciTech Connect

    Hoffman, Darleane C.; Lee, Diana M.

    2000-01-01

    In keeping with the goal of the Viewpoint series of the Journal of Chemical Education, this article gives a 75-year perspective of the chemistry of the heaviest elements, including a 50-year retrospective view of past developments, a summary of current research achievements and applications, and some predictions about exciting, new developments that might be envisioned within the next 25 years. A historical perspective of the importance of chemical separations in the discoveries of the transuranium elements from neptunium (Z=93) through mendelevium (Z=101) is given. The development of techniques for studying the chemical properties of mendelevium and still heavier elements on the basis of measuring the radioactive decay of a single atom (''atom-at-a-time'' chemistry) and combining the results of many separate experiments is reviewed. The influence of relativistic effects (expected to increase as Z{sup 2}) on chemical properties is discussed. The results from recent atom-at-a-time studies of the chemistry of the heaviest elements through seaborgium (Z=106) are summarized and show that their properties cannot be readily predicted based on simple extrapolation from the properties of their lighter homologues in the periodic table. The prospects for extending chemical studies to still heavier elements than seaborgium are considered and appear promising.

  11. The chemistry and structure of ?222? CdO/Ag heterophase interfaces on an atomic scale

    NASA Astrophysics Data System (ADS)

    Chan, D. K.; Seidman, D. N.; Merkle, K. L.

    1996-03-01

    The chemistry and structure of {222} CdO/Ag (ceramic/metal) heterophase interfaces are determined with sub-nanometer chemical and structural spatial resolution employing atom-probe field-ion and high-resolution electron microscopies. The interfaces are produced in a controlled manner via internal oxidation of a Ag1.62at%Cd alloy, which results in the formation of CdO precipitates in a Ag matrix. The CdO precipitates are octahedral-shaped with facets on the {222} polar planes, and have a cube-on-cube orientation relationship with the Ag matrix. Atom-probe analyses are made along the chemically-ordered CdO <111>-type directions, thereby perpendicularly intersecting the {222} interfaces. A total of 35 {222} heterophase interfaces is chemically analyzed, of which 19 have the chemical sequence Ag|O|Cd|… and 16 the sequence Ag|Cd|O|…. High resolution electron microscopy analyses reveal that the {222} facet planes of the CdO precipitates con atomic height ledges, therefore indicating that the preciptates were in a coarsening stage. The combined atom-probe and high-resolution electron microscope results demonstrate that the chemistry of the terminating {222} facet plane of CdO is controlled by coarsening kinetics.

  12. How in Spite of the Rhetoric, History of Chemistry Has Been Ignored in Presenting Atomic Structure in Textbooks.

    ERIC Educational Resources Information Center

    Rodriguez, Maria A.; Niaz, Mansoor

    2002-01-01

    Reports on a study designed to: (a) show how the importance of the history of chemistry has been recognized in the classroom; (b) demonstrate how criteria based on history and philosophy of science can be used to evaluate the presentation of atomic structure in general chemistry textbooks; and (c) compare new (1970-1992) and old textbooks…

  13. Hot-Corrosion Behavior of Thermal Barrier Coated DZ125 Superalloy Exposed to Atomized Seawater and Kerosene

    NASA Astrophysics Data System (ADS)

    Bai, Zhiming; Zhou, Le; Liang, Tianquan; Guo, Hongbo; Gong, Shengkai

    The bare superalloy DZ 125 alloy, the aluminide coated specimens and electron beam physical vapor deposited (EB-PVD) thermal barrier coating (TBC) consisting of yttria stabilizied zirconia (YSZ) topcoat and NiCoCrAlY bond coat specimens were exposed to atomized seawater and kerosene at 900°C and the cyclic hot-corrosion behaviors of the specimens were investigated. Disastrous spallation of the bare superalloy occurred within 50 h hot-corrosion. In contrast to this, after 100 h hot-corrosion, the average mass change for the aluminized and TBC coated specimens is 0.7 mg/cm2 and 0.63 mg/cm2, respectively, exhibiting excellent hot-corrosion resistance.

  14. Why has the bohr-sommerfeld model of the atom been ignoredby general chemistry textbooks?

    PubMed

    Niaz, Mansoor; Cardellini, Liberato

    2011-12-01

    Bohr's model of the atom is considered to be important by general chemistry textbooks. A major shortcoming of this model was that it could not explain the spectra of atoms containing more than one electron. In order to increase the explanatory power of the model, Sommerfeld hypothesized the existence of elliptical orbits. This study has the following objectives: 1) Formulation of criteria based on a history and philosophy of science framework; and 2) Evaluation of university-level general chemistry textbooks based on the criteria, published in Italy and U.S.A. Presentation of a textbook was considered to be "satisfactory" if it included a description of the Bohr-Sommerfeld model along with diagrams of the elliptical orbits. Of the 28 textbooks published in Italy that were analyzed, only five were classified as "satisfactory". Of the 46 textbooks published in U.S.A., only three were classified as "satisfactory". This study has the following educational implications: a) Sommerfeld's innovation (auxiliary hypothesis) by introducing elliptical orbits, helped to restore the viability of Bohr's model; b) Bohr-Sommerfeld's model went no further than the alkali metals, which led scientists to look for other models; c) This clearly shows that scientific models are tentative in nature; d) Textbook authors and chemistry teachers do not consider the tentative nature of scientific knowledge to be important; e) Inclusion of the Bohr-Sommerfeld model in textbooks can help our students to understand how science progresses.

  15. Demystifying Introductory Chemistry. Part 4: An Approach to Reaction Thermodynamics through Enthalpies, Entropies, and Free Energies of Atomization.

    ERIC Educational Resources Information Center

    Spencer, James N.; And Others

    1996-01-01

    Presents an alternative approach to teaching reaction thermodynamics in introductory chemistry courses using calculations of enthalpies, entropies, and free energies of atomization. Uses a consistent concept, that of decomposition of a compound to its gaseous atoms, to discuss not only thermodynamic parameters but also equilibrium and…

  16. Using an Advanced Computational Laboratory Experiment to Extend and Deepen Physical Chemistry Students' Understanding of Atomic Structure

    ERIC Educational Resources Information Center

    Hoffman, Gary G.

    2015-01-01

    A computational laboratory experiment is described, which involves the advanced study of an atomic system. The students use concepts and techniques typically covered in a physical chemistry course but extend those concepts and techniques to more complex situations. The students get a chance to explore the study of atomic states and perform…

  17. Hot precursor reactions during the collisions of gas-phase oxygen atoms with deuterium chemisorbed on Pt(100)

    NASA Astrophysics Data System (ADS)

    Kan, Heywood H.; Shumbera, R. Bradley; Weaver, Jason F.

    2007-04-01

    We utilized direct rate measurements and temperature programmed desorption to investigate reactions that occur during the collisions of gaseous oxygen atoms with deuterium-covered Pt(100). We find that both D2O and D2 desorb promptly when an oxygen atom beam impinges upon D-covered Pt(100) held at surface temperatures ranging from 90to150K, and estimate effective cross sections of 12 and 1.8Å2, respectively, for the production of gaseous D2O and D2 at 90K. The yields of D2O and D2 that desorb at 90K are about 13% and 2%, respectively, of the initial D atom coverage, though most of the D2O product molecules (˜80%) thermalize to the surface rather than desorb at the surface temperatures studied. Increasing the surface temperature from 90to150K causes the D2O desorption rate to decay more quickly during O atom exposures to the surface and results in lower yields of gaseous D2O. We attribute the production of D2O and D2 in these experiments to reactions involving intermediates that are not thermally accommodated to the surface, so-called hot precursors. The results are consistent with the production of hot D2O involving first the generation of hot OD groups from the reaction O*+D(a)→OD*, where the asterisk denotes a hot precursor, followed by the parallel pathways OD *+D(a)→D2O* and OD *+OD(a)→D2O*+O(a). The final reaction contributes significantly to hot D2O production only later in the reaction period when thermalized OD groups have accumulated on the surface, and it becomes less important at higher temperature due to depletion of the OD(a) concentration by thermally activated D2O production.

  18. Hot precursor reactions during the collisions of gas-phase oxygen atoms with deuterium chemisorbed on Pt(100).

    PubMed

    Kan, Heywood H; Shumbera, R Bradley; Weaver, Jason F

    2007-04-07

    We utilized direct rate measurements and temperature programmed desorption to investigate reactions that occur during the collisions of gaseous oxygen atoms with deuterium-covered Pt(100). We find that both D2O and D2 desorb promptly when an oxygen atom beam impinges upon D-covered Pt(100) held at surface temperatures ranging from 90 to 150 K, and estimate effective cross sections of 12 and 1.8 A2, respectively, for the production of gaseous D2O and D2 at 90 K. The yields of D2O and D2 that desorb at 90 K are about 13% and 2%, respectively, of the initial D atom coverage, though most of the D2O product molecules (approximately 80%) thermalize to the surface rather than desorb at the surface temperatures studied. Increasing the surface temperature from 90 to 150 K causes the D2O desorption rate to decay more quickly during O atom exposures to the surface and results in lower yields of gaseous D2O. We attribute the production of D2O and D2 in these experiments to reactions involving intermediates that are not thermally accommodated to the surface, so-called hot precursors. The results are consistent with the production of hot D2O involving first the generation of hot OD groups from the reaction O*+D(a)-->OD*, where the asterisk denotes a hot precursor, followed by the parallel pathways OD*+D(a)-->D2O* and OD*+OD(a)-->D2O*+O(a). The final reaction contributes significantly to hot D2O production only later in the reaction period when thermalized OD groups have accumulated on the surface, and it becomes less important at higher temperature due to depletion of the OD(a) concentration by thermally activated D2O production.

  19. Breakdown into nanoscale of graphene oxide: Confined hot spot atomic reduction and fragmentation

    NASA Astrophysics Data System (ADS)

    Gonçalves, Gil; Vila, Mercedes; Bdikin, Igor; de Andrés, Alicia; Emami, Nazanin; Ferreira, Rute A. S.; Carlos, Luís D.; Grácio, José; Marques, Paula A. A. P.

    2014-10-01

    Nano-graphene oxide (nano-GO) is a new class of carbon based materials being proposed for biomedical applications due to its small size, intrinsic optical properties, large specific surface area, and easy to functionalize. To fully exploit nano-GO properties, a reproducible method for its production is of utmost importance. Herein we report, the study of the sequential fracture of GO sheets onto nano-GO with controllable lateral width, by a simple, and reproducible method based on a mechanism that we describe as a confined hot spot atomic fragmentation/reduction of GO promoted by ultrasonication. The chemical and structural changes on GO structure during the breakage were monitored by XPS, FTIR, Raman and HRTEM. We found that GO sheets starts breaking from the defects region and in a second phase through the disruption of carbon bonds while still maintaining crystalline carbon domains. The breaking of GO is accompanied by its own reduction, essentially by the elimination of carboxylic and carbonyl functional groups. Photoluminescence and photothermal studies using this nano-GO are also presented highlighting the potential of this nanomaterial as a unique imaging/therapy platform.

  20. Highly ionized atoms in cooling gas. [in model for cooling of hot Galactic corona

    NASA Technical Reports Server (NTRS)

    Edgar, Richard J.; Chevalier, Roger A.

    1986-01-01

    The ionization of low density gas cooling from a high temperature was calculated. The evolution during the cooling is assumed to be isochoric, isobaric, or a combination of these cases. The calculations are used to predict the column densities and ultraviolet line luminosities of highly ionized atoms in cooling gas. In a model for cooling of a hot galactic corona, it is shown that the observed value of N(N V) can be produced in the cooling gas, while the predicted value of N(Si IV) falls short of the observed value by a factor of about 5. The same model predicts fluxes of ultraviolet emission lines that are a factor of 10 lower than the claimed detections of Feldman, Bruna, and Henry. Predictions are made for ultraviolet lines in cooling flows in early-type galaxies and clusters of galaxies. It is shown that the column densities of interest vary over a fairly narrow range, while the emission line luminosities are simply proportional to the mass inflow rate.

  1. Breakdown into nanoscale of graphene oxide: Confined hot spot atomic reduction and fragmentation

    PubMed Central

    Gonçalves, Gil; Vila, Mercedes; Bdikin, Igor; de Andrés, Alicia; Emami, Nazanin; Ferreira, Rute A. S.; Carlos, Luís D.; Grácio, José; Marques, Paula A. A. P.

    2014-01-01

    Nano-graphene oxide (nano-GO) is a new class of carbon based materials being proposed for biomedical applications due to its small size, intrinsic optical properties, large specific surface area, and easy to functionalize. To fully exploit nano-GO properties, a reproducible method for its production is of utmost importance. Herein we report, the study of the sequential fracture of GO sheets onto nano-GO with controllable lateral width, by a simple, and reproducible method based on a mechanism that we describe as a confined hot spot atomic fragmentation/reduction of GO promoted by ultrasonication. The chemical and structural changes on GO structure during the breakage were monitored by XPS, FTIR, Raman and HRTEM. We found that GO sheets starts breaking from the defects region and in a second phase through the disruption of carbon bonds while still maintaining crystalline carbon domains. The breaking of GO is accompanied by its own reduction, essentially by the elimination of carboxylic and carbonyl functional groups. Photoluminescence and photothermal studies using this nano-GO are also presented highlighting the potential of this nanomaterial as a unique imaging/therapy platform. PMID:25339424

  2. Building chemistry one atom at a time: An investigation of the effects of two curricula in students' understanding of covalent bonding and atomic size

    NASA Astrophysics Data System (ADS)

    Bull, Barbara Jeanne

    Chemists have to rely on models to aid in the explanation of phenomena they experience. Instruction of atomic theory has been used as the introduction and primary model for many concepts in chemistry. Therefore, it is important for students to have a robust understanding of the different atomic models, their relationships and their limitations. Previous research has shown that students have alternative conceptions concerning their interpretation of atomic models, but there is less exploration into how students apply their understanding of atomic structure to other chemical concepts. Therefore, this research concentrated on the development of three Model Eliciting Activities to investigate the most fundamental topic of the atom and how students applied their atomic model to covalent bonding and atomic size. Along with the investigation into students' use of their atomic models, a comparison was included between a traditional chemistry curriculum using an Atoms First approach and Chemistry, Life, the Universe and Everything (CLUE), a NSF-funded general chemistry curriculum. Treatment and Control groups were employed to determine the effectiveness of the curricula in conveying the relationship between atoms, covalent bonds and atomic size. The CLUE students developed a Cloud representation on the Atomic Model Eliciting Activity and maintained this depiction through the Covalent Bonding Model Eliciting Activity. The traditional students more often illustrated the atom using a Bohr representation and continued to apply the same model to their portrayal of covalent bonding. During the analysis of the Atomic Size Model Eliciting Activity, students had difficulty fully supporting their explanation of the atomic size trend. Utilizing the beSocratic platform, an activity was designed to aid students' construction of explanations using Toulmin's Argumentation Pattern. In order to study the effectiveness of the activity, the students were asked questions relating to a four

  3. Hot-atom versus Eley-Rideal dynamics in hydrogen recombination on Ni(100). I. The single-adsorbate case.

    PubMed

    Martinazzo, R; Assoni, S; Marinoni, G; Tantardini, G F

    2004-05-08

    We compare the efficiency of the Eley-Rideal (ER) reaction with the formation of hot-atom (HA) species in the simplest case, i.e., the scattering of a projectile off a single adsorbate, considering the Hydrogen and Hydrogen-on-Ni(100) system. We use classical mechanics and the accurate embedded diatomics-in-molecules potential to study the collision system over a wide range of collision energies (0.10-1.50 eV), both with a rigid and a nonrigid Ni substrate and for impact on the occupied and neighboring empty cells. In the rigid model metastable and truly bound hot-atoms occur and we find that the cross section for the formation of bound hot-atoms is considerably higher than that for the ER reaction over the whole range of collision energies examined. Metastable hot-atoms form because of the inefficient energy transfer to the adsorbate and have lifetimes of the order 0.1-0.7 ps, depending on the collision energy. When considering the effects of lattice vibrations we find, on average, a consistent energy transfer to the substrate, say 0.1-0.2 eV, which forced us to devise a two-step dynamical model to get rid of the problems associated with the use of periodic boundary conditions. Results for long-lived HA formation due to scattering on the occupied cell at a surface temperature of 120 K agree well with those of the rigid model, suggesting that in the above process the substrate plays only a secondary role and further calculations at surface temperatures of 50 and 300 K are in line with these findings. However, considerably high cross sections for formation of long-lived hot-atoms result also from scattering off the neighboring cells where the energy transfer to the lattice cannot be neglected. Metastable hot-atoms are reduced in number and have usually lifetimes shorter than those of the rigid-model, say less than 0.3 ps. In addition, ER cross sections are only slightly affected by the lattice motion and show a little temperature dependence. Finally, we find also

  4. Influence of chemistry and hot rolling conditions on high permeability non-grain oriented silicon steel

    NASA Astrophysics Data System (ADS)

    Huňady, J.; Černík, M.; Hilinski, E. J.; Predmerský, M.; Magurová, A.

    2006-09-01

    This paper discusses the influence of chemical composition on the final electromagnetic properties in higher permeability material. Furthermore, the effect of the hot rolling practice and the end of austenite transformation temperature range on the hot band microstructure is described. The magnetic polarization J5000 better than 1.7 T, using hot rolling conditions 40 mm transfer bar thickness, finish mill entry temperature 1000 °C, and finishing temperature 800-840 °C and after decarburization heat treatment and grain growth treatment, was obtained.

  5. Mesoscale effects in electrochemical conversion: coupling of chemistry to atomic- and nanoscale structure in iron-based electrodes.

    PubMed

    Wiaderek, Kamila M; Borkiewicz, Olaf J; Pereira, Nathalie; Ilavsky, Jan; Amatucci, Glenn G; Chupas, Peter J; Chapman, Karena W

    2014-04-30

    The complex coupling of atomic, chemical, and electronic transformations across multiple length scales underlies the performance of electrochemical energy storage devices. Here, the coupling of chemistry with atomic- and nanoscale structure in iron conversion electrodes is resolved by combining pair distribution function (PDF) and small-angle X-ray scattering (SAXS) analysis for a series of Fe fluorides, oxyfluorides, and oxides. The data show that the anion chemistry of the initial electrode influences the abundance of atomic defects in the Fe atomic lattice. This, in turn, is linked to different atom mobilities and propensity for particle growth. Competitive nanoparticle growth in mixed anion systems contributes to a distinct nanostructure, without the interconnected metallic nanoparticles formed for single anion systems.

  6. Hydrogen abstraction from metal surfaces: when electron-hole pair excitations strongly affect hot-atom recombination.

    PubMed

    Galparsoro, Oihana; Pétuya, Rémi; Busnengo, Fabio; Juaristi, Joseba Iñaki; Crespos, Cédric; Alducin, Maite; Larregaray, Pascal

    2016-11-23

    Using molecular dynamics simulations, we predict that the inclusion of nonadiabatic electronic excitations influences the dynamics of preadsorbed hydrogen abstraction from the W(110) surface by hydrogen scattering. The hot-atom recombination, which involves hyperthermal diffusion of the impinging atom on the surface, is significantly affected by the dissipation of energy mediated by electron-hole pair excitations at low coverage and low incidence energy. This issue is of importance as this abstraction mechanism is thought to largely contribute to molecular hydrogen formation from metal surfaces.

  7. Analytical Chemistry Laboratory (ACL) procedure compendium. Volume 7, Safety operation procedure for hot cell

    SciTech Connect

    Not Available

    1993-08-01

    This volume contains the interim change notice for the safety operation procedure for hot cell. It covers the master-slave manipulators, dry waste removal, cell transfers, hoists, cask handling, liquid waste system, and physical characterization of fluids.

  8. Identification of parameters through which surface chemistry determines the lifetimes of hot electrons in small Au nanoparticles.

    PubMed

    Aruda, Kenneth O; Tagliazucchi, Mario; Sweeney, Christina M; Hannah, Daniel C; Schatz, George C; Weiss, Emily A

    2013-03-12

    This paper describes measurements of the dynamics of hot electron cooling in photoexcited gold nanoparticles (Au NPs) with diameters of ∼3.5 nm, and passivated with either a hexadecylamine or hexadecanethiolate adlayer, using ultrafast transient absorption spectroscopy. Fits of these dynamics with temperature-dependent Mie theory reveal that both the electronic heat capacity and the electron-phonon coupling constant are larger for the thiolated NPs than for the aminated NPs, by 40% and 30%, respectively. Density functional theory calculations on ligand-functionalized Au slabs show that the increase in these quantities is due to an increased electronic density of states near the Fermi level upon ligand exchange from amines to thiolates. The lifetime of hot electrons, which have thermalized from the initial plasmon excitation, increases with increasing electronic heat capacity, but decreases with increasing electron-phonon coupling, so the effects of changing surface chemistry on these two quantities partially cancel to yield a hot electron lifetime of thiolated NPs that is only 20% longer than that of aminated NPs. This analysis also reveals that incorporation of a temperature-dependent electron-phonon coupling constant is necessary to adequately fit the dynamics of electron cooling.

  9. Identification of parameters through which surface chemistry determines the lifetimes of hot electrons in small Au nanoparticles

    PubMed Central

    Aruda, Kenneth O.; Tagliazucchi, Mario; Sweeney, Christina M.; Hannah, Daniel C.; Schatz, George C.; Weiss, Emily A.

    2013-01-01

    This paper describes measurements of the dynamics of hot electron cooling in photoexcited gold nanoparticles (Au NPs) with diameters of ∼3.5 nm, and passivated with either a hexadecylamine or hexadecanethiolate adlayer, using ultrafast transient absorption spectroscopy. Fits of these dynamics with temperature-dependent Mie theory reveal that both the electronic heat capacity and the electron–phonon coupling constant are larger for the thiolated NPs than for the aminated NPs, by 40% and 30%, respectively. Density functional theory calculations on ligand-functionalized Au slabs show that the increase in these quantities is due to an increased electronic density of states near the Fermi level upon ligand exchange from amines to thiolates. The lifetime of hot electrons, which have thermalized from the initial plasmon excitation, increases with increasing electronic heat capacity, but decreases with increasing electron–phonon coupling, so the effects of changing surface chemistry on these two quantities partially cancel to yield a hot electron lifetime of thiolated NPs that is only 20% longer than that of aminated NPs. This analysis also reveals that incorporation of a temperature-dependent electron–phonon coupling constant is necessary to adequately fit the dynamics of electron cooling. PMID:23440215

  10. Atom Specific Ultrafast Surface Chemistry using a Soft X-ray Laser

    NASA Astrophysics Data System (ADS)

    Nilsson, Anders

    2014-03-01

    Catalysis is central for many chemical energy transformations that occur at interfaces. One of the dreams is to follow catalytic reactions in real time from reactants over various intermediates to products. The prospective for the study of chemical reactions on surfaces using X-ray free-electron lasers (Linac Coherent Light Source, or LCLS, at SLAC National Accelerator Laboratory) will be presented. We induced the hot electron and phonon mediated excitation of adsorbates on Ru(0001) with synchronized excitation by a femtosecond optical laser pulse. We have followed the ultrafast evolution of the bond distortions, weakening and breaking, using x-ray absorption spectroscopy and x ray emission spectroscopy resonantly tuned to the oxygen core level with ultrashort x-ray pulses delivered from LCLS. We can directly follow the time evolution of the molecular orbitals in an atom-specific way on a subpicosecond timescale. Three examples will be shown CO desorption, Oxygen activation and CO oxidation on Ru(0001).

  11. Chemistry of the organic-rich hot core G327.3-0.6

    NASA Technical Reports Server (NTRS)

    Gibb, E.; Nummelin, A.; Irvine, W. M.; Whittet, D. C.; Bergman, P.; Ferris, J. P. (Principal Investigator)

    2000-01-01

    We present gas-phase abundances of species found in the organic-rich hot core G327.3-0.6. The data were taken with the Swedish-ESO Submillimetre Telescope (SEST). The 1-3 mm spectrum of this source is dominated by emission features of nitrile species and saturated organics, with abundances greater than those found in many other hot cores, including Sgr B2 and OMC-1. Population diagram analysis indicates that many species (CH3CN, C2H3CN, C2H5CN, CH3OH, etc.) have hot components that originate in a compact (2") region. Gas-phase chemical models cannot reproduce the high abundances of these molecules found in hot cores, and we suggest that they originate from processing and evaporation of icy grain mantle material. In addition, we report the first detection of vibrationally excited ethyl cyanide and the first detection of methyl mercaptan (CH3SH) outside the Galactic center.

  12. Thermal chemistry of copper acetamidinate atomic layer deposition precursors on silicon oxide surfaces studied by XPS

    SciTech Connect

    Yao, Yunxi; Zaera, Francisco

    2016-01-15

    The thermal surface chemistry of copper(I)-N,N′-di-sec-butylacetamidinate, [Cu({sup s}Bu-amd)]{sub 2}, a metalorganic complex recently proposed for the chemical-based deposition of copper films, has been characterized on SiO{sub 2} films under ultrahigh vacuum conditions by x-ray photoelectron spectroscopy (XPS). Initial adsorption at cryogenic temperatures results in the oxidation of the copper centers with Cu 2p{sub 3/2} XPS binding energies close to those seen for a +2 oxidation state, an observation that the authors interpret as the result of the additional coordination of oxygen atoms from the surface to the Cu atoms of the molecular acetamidinate dimer. Either heating to 300 K or dosing the precursor directly at that temperature leads to the loss of one of its two ligands, presumably via hydrogenation/protonation with a hydrogen/proton from a silanol group, or following a similar reaction on a defect site. By approximately 500 K the Cu 2p{sub 3/2}, C 1s, and N 1s XPS data suggest that the remaining acetamidinate ligand is displaced from the copper center and bonds to the silicon oxide directly, after which temperatures above 900 K need to be reached to promote further (and only partial) decomposition of those organic moieties. It was also shown that the uptake of the Cu precursor is self-limiting at either 300 or 500 K, although the initial chemistry is somewhat different at the two temperatures, and that the nature of the substrate also defines reactivity, with the thin native silicon oxide layer always present on Si(100) surfaces being less reactive than thicker films grown by evaporation, presumably because of the lower density of surface nucleation sites.

  13. Thermal chemistry of the Cu-KI5 atomic layer deposition precursor on a copper surface

    SciTech Connect

    Ma, Qiang; Zaera, Francisco

    2015-01-01

    The thermal chemistry of a Cu(I) ketoiminate complex, Cu-KI5, resulting from the modification of the known Air Products CupraSelect{sup ®} copper CVD precursor Cu(hfac)(tmvs) designed to tether the two ligands via an isopropoxide linker, was studied under ultrahigh vacuum on a Cu(110) single-crystal surface by using a combination of temperature programmed desorption (TPD) and x-ray photoelectron spectroscopy. Adsorption at low temperatures was determined to take place via the displacement of the vinyl ligand by the surface. Molecular desorption was seen at 210 K, and the evolution of Cu(II)-KI5{sub 2} was established to take place at 280 K, presumably from a disproportionation reaction that also leads to the deposition of Cu(0). Other sets of desorption products were seen at 150, 250, and 430 K, all containing copper atoms and small organic moieties with molecular masses below 100 amu. The latter TPD peak in particular indicates significant fragmentation of the ligands, likely at the C–N bond that holds the vinylsilane-isopropoxide moiety tethered to the ketoimine fragment, and possibly also at the union between the vinylsilane and the alkoxide linker. The 430 K temperature measured for this chemistry may set an upper limit for clean Cu film deposition, but since reactivity on the surface was also found to be inhibited at higher surface coverages, it may be delayed to higher temperatures under atomic layer deposition conditions.

  14. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Twelve new chemistry expermiments are described. Broad areas covered include atomic structure, solubility, gaseous diffusion, endothermic reactions, alcohols, equilibrium, atomic volumes, and some improvised apparatus. (PS)

  15. Hot wire chemical vapor deposition chemistry in the gas phase and on the catalyst surface with organosilicon compounds.

    PubMed

    Shi, Yujun

    2015-02-17

    CONSPECTUS: Hot wire chemical vapor deposition (HWCVD), also referred to as catalytic CVD (Cat-CVD), has been used to produce Si-containing thin films, nanomaterials, and functional polymer coatings that have found wide applications in microelectronic and photovoltaic devices, in automobiles, and in biotechnology. The success of HWCVD is largely due to its various advantages, including high deposition rate, low substrate temperatures, lack of plasma-induced damage, and large-area uniformity. Film growth in HWCVD is induced by reactive species generated from primary decomposition on the metal wire or from secondary reactions in the gas phase. In order to achieve a rational and efficient optimization of the process, it is essential to identify the reactive species and to understand the chemical kinetics that govern the production of these precursor species for film growth. In this Account, we report recent progress in unraveling the complex gas-phase reaction chemistry in the HWCVD growth of silicon carbide thin films using organosilicon compounds as single-source precursors. We have demonstrated that laser ionization mass spectrometry is a powerful diagnostic tool for studying the gas-phase reaction chemistry when combined with the methods of isotope labeling and chemical trapping. The four methyl-substituted silane molecules, belonging to open-chain alkylsilanes, dissociatively adsorb on W and Ta filaments to produce methyl radical and H2 molecule. Under the typical deposition pressures, with increasing number of methyl substitution, the dominant chemistry occurring in the gas phase switches from silylene/silene reactions to free-radical short chain reactions. This change in dominant reaction intermediates from silylene/silene to methyl radicals explains the observation from thin film deposition that silicon carbide films become more C-rich with a decreasing number of Si-H bonds in the four precursor molecules. In the case of cyclic monosilacyclobutanes, we have

  16. The chemistry of sodium chloride involvement in processes related to hot corrosion

    NASA Technical Reports Server (NTRS)

    Stearns, C. A.; Kohl, F. J.; Fryburg, G. C.

    1979-01-01

    Sodium chloride is one of the primary contaminants that enter gas turbine engines and contribute, either directly or indirectly, to the hot corrosion degradation of hot-gas-path components. The paper surveys the results of laboratory experiments along with thermodynamic and mass transport calculations, intended for elucidating the behavior of sodium chloride in combustion environments. It is shown that besides being a source of sodium for the formation of corrosive liquid Na2SO4, the NaCl itself contributes in other indirect ways to the material degradation associated with the high-temperature environmental attack. In addition, the experimental results lend credence to the conceptual scheme presented schematically (behavior of NaCl in a turbine engine combustion gas environment) and resolve conflicting aspects of relevant NaCl misconceptions.

  17. The Use of Gas Chromatography and Mass Spectrometry to Introduce General Chemistry Students to Percent Mass and Atomic Mass Calculations

    ERIC Educational Resources Information Center

    Pfennig, Brian W.; Schaefer, Amy K.

    2011-01-01

    A general chemistry laboratory experiment is described that introduces students to instrumental analysis using gas chromatography-mass spectrometry (GC-MS), while simultaneously reinforcing the concepts of mass percent and the calculation of atomic mass. Working in small groups, students use the GC to separate and quantify the percent composition…

  18. Getting Physical with Your Chemistry: Mechanically Investigating Local Structure and Properties of Surfaces with the Atomic Force Microscope

    ERIC Educational Resources Information Center

    Heinz, William F.; Hoh, Jan H.

    2005-01-01

    Atomic force microscope (AFM) investigates mechanically the chemical properties of individual molecules, surfaces, and materials using suitably designed probes. The current state of the art of AFM in terms of imaging, force measurement, and sample manipulation and its application to physical chemistry is discussed.

  19. Use of a PhET Interactive Simulation in General Chemistry Laboratory: Models of the Hydrogen Atom

    ERIC Educational Resources Information Center

    Clark, Ted M.; Chamberlain, Julia M.

    2014-01-01

    An activity supporting the PhET interactive simulation, Models of the Hydrogen Atom, has been designed and used in the laboratory portion of a general chemistry course. This article describes the framework used to successfully accomplish implementation on a large scale. The activity guides students through a comparison and analysis of the six…

  20. The calculation of aquifer chemistry in hot-water geothermal systems

    USGS Publications Warehouse

    Truesdell, Alfred H.; Singers, Wendy

    1974-01-01

    The temperature and chemical conditions (pH, gas pressure, and ion activities) in a geothermal aquifer supplying a producing bore can be calculated from the enthalpy of the total fluid (liquid + vapor) produced and chemical analyses of water and steam separated and collected at known pressures. Alternatively, if a single water phase exists in the aquifer, the complete analysis (including gases) of a sample collected from the aquifer by a downhole sampler is sufficient to determine the aquifer chemistry without a measured value of the enthalpy. The assumptions made are that the fluid is produced from a single aquifer and is homogeneous in enthalpy and chemical composition. These calculations of aquifer chemistry involving large amounts of ancillary information and many iterations require computer methods. A computer program in PL-1 to perform these calculations is available from the National Technical Information Service as document PB-219 376.

  1. Reactions of substituted benzene anions with N and O atoms: Chemistry in Titan's upper atmosphere and the interstellar medium

    NASA Astrophysics Data System (ADS)

    Wang, Zhe-Chen; Bierbaum, Veronica M.

    2016-06-01

    The likely existence of aromatic anions in many important extraterrestrial environments, from the atmosphere of Titan to the interstellar medium (ISM), is attracting increasing attention. Nitrogen and oxygen atoms are also widely observed in the ISM and in the ionospheres of planets and moons. In the current work, we extend previous studies to explore the reactivity of prototypical aromatic anions (deprotonated toluene, aniline, and phenol) with N and O atoms both experimentally and computationally. The benzyl and anilinide anions both exhibit slow associative electron detachment (AED) processes with N atom, and moderate reactivity with O atom in which AED dominates but ionic products are also formed. The reactivity of phenoxide is dramatically different; there is no measurable reaction with N atom, and the moderate reactivity with O atom produces almost exclusively ionic products. The reaction mechanisms are studied theoretically by employing density functional theory calculations, and spin conversion is found to be critical for understanding some product distributions. This work provides insight into the rich gas-phase chemistry of aromatic ion-atom reactions and their relevance to ionospheric and interstellar chemistry.

  2. Hot chemistry in the diffuse medium: spectral signature in the H2 rotational lines

    NASA Astrophysics Data System (ADS)

    Verstraete, L.; Falgarone, E.; Pineau des Forets, G.; Flower, D.; Puget, J. L.

    1999-03-01

    Most of the diffuse interstellar medium is cold, but it must harbor pockets of hot gas to explain the large observed abundances of molecules like CH+ and HCO+. Because they dissipate locally large amounts of kinetic energy, MHD shocks and coherent vortices in turbulence can drive endothermic chemical reactions or reactions with large activation barriers. We predict the spectroscopic signatures in the H2 rotational lines of MHD shocks and vortices and compare them to those observed with the ISO-SWS along a line of sight through the Galaxy which samples 20 magnitudes of mostly diffuse gas.

  3. Effect of the nature of the substrate on the surface chemistry of atomic layer deposition precursors.

    PubMed

    Yao, Yunxi; Coyle, Jason P; Barry, Seán T; Zaera, Francisco

    2017-02-07

    The thermal chemistry of Cu(I)-sec-butyl-2-iminopyrrolidinate, a promising copper amidinate complex for atomic layer deposition (ALD) applications, was explored comparatively on several surfaces by using a combination of surface-sensitive techniques, specifically temperature-programmed desorption and x-ray photoelectron spectroscopy (XPS). The substrates explored include single crystals of transition metals (Ni(110) and Cu(110)), thin oxide films (NiO/Ni(110) and SiO2/Ta), and oxygen-treated metals (O/Cu(110)). Decomposition of the pyrrolidinate ligand leads to the desorption of several gas-phase products, including CH3CN, HCN and butene from the metals and CO and CO2 from the oxygen-containing surfaces. In all cases dehydrogenation of the organic moieties is accompanied by hydrogen removal from the surface, in the form of H2 on metals and mainly as water from the metal oxides, but the threshold for this chemistry varies wildly, from 270 K on Ni(110) to 430 K on O/Cu(110), 470 K on Cu(110), 500 K on NiO/Ni(110), and 570 K on SiO2/Ta. Copper reduction is also observed in both the Cu 2p3/2 XPS and the Cu L3 VV Auger (AES) spectra, reaching completion by 300 K on Ni(110) but occurring only between 500 and 600 K on Cu(110). On NiO/Ni(110), both Cu(I) and Cu(0) coexist between 200 and 500 K, and on SiO2/Ta a change happens between 500 and 600 K but the reduction is limited, with the copper atoms retaining a significant ionic character. Additional experiments to test adsorption at higher temperatures led to the identification of temperature windows for the self-limiting precursor uptake required for ALD between approximately 300 and 450 K on both Ni(110) and NiO/Ni(110); the range on SiO2 had been previously determined to be wider, reaching an upper limit at about 500 K. Finally, deposition of copper metal films via ALD cycles with O2 as the co-reactant was successfully accomplished on the Ni(110) substrate.

  4. Effect of the nature of the substrate on the surface chemistry of atomic layer deposition precursors

    NASA Astrophysics Data System (ADS)

    Yao, Yunxi; Coyle, Jason P.; Barry, Seán T.; Zaera, Francisco

    2017-02-01

    The thermal chemistry of Cu(I)-sec-butyl-2-iminopyrrolidinate, a promising copper amidinate complex for atomic layer deposition (ALD) applications, was explored comparatively on several surfaces by using a combination of surface-sensitive techniques, specifically temperature-programmed desorption and x-ray photoelectron spectroscopy (XPS). The substrates explored include single crystals of transition metals (Ni(110) and Cu(110)), thin oxide films (NiO/Ni(110) and SiO2/Ta), and oxygen-treated metals (O/Cu(110)). Decomposition of the pyrrolidinate ligand leads to the desorption of several gas-phase products, including CH3CN, HCN and butene from the metals and CO and CO2 from the oxygen-containing surfaces. In all cases dehydrogenation of the organic moieties is accompanied by hydrogen removal from the surface, in the form of H2 on metals and mainly as water from the metal oxides, but the threshold for this chemistry varies wildly, from 270 K on Ni(110) to 430 K on O/Cu(110), 470 K on Cu(110), 500 K on NiO/Ni(110), and 570 K on SiO2/Ta. Copper reduction is also observed in both the Cu 2p3/2 XPS and the Cu L3 VV Auger (AES) spectra, reaching completion by 300 K on Ni(110) but occurring only between 500 and 600 K on Cu(110). On NiO/Ni(110), both Cu(I) and Cu(0) coexist between 200 and 500 K, and on SiO2/Ta a change happens between 500 and 600 K but the reduction is limited, with the copper atoms retaining a significant ionic character. Additional experiments to test adsorption at higher temperatures led to the identification of temperature windows for the self-limiting precursor uptake required for ALD between approximately 300 and 450 K on both Ni(110) and NiO/Ni(110); the range on SiO2 had been previously determined to be wider, reaching an upper limit at about 500 K. Finally, deposition of copper metal films via ALD cycles with O2 as the co-reactant was successfully accomplished on the Ni(110) substrate.

  5. Probing the Physics and Chemistry in Hot Jupiter Exoclimes for Future Missions

    NASA Astrophysics Data System (ADS)

    Afrin Badhan, Mahmuda; Kopparapu, Ravi Kumar; Domagal-Goldman, Shawn; Deming, Drake; Hébrard, Eric; Irwin, Patrick GJ; Batalha, Natasha; Mandell, Avi

    2017-01-01

    Unique and exotic planets give us an opportunity to understand how planetary systems form and evolve over their lifetime, by placing our own planetary system in the context of vastly different extrasolar systems. In particular, close-in planets such as Hot Jupiters provide us with valuable insights about the host stellar atmosphere and planetary atmospheres subjected to such high levels of stellar insolation. Observed spectroscopic signatures from a planet reveal all spectrally active species in its atmosphere, along with information about its thermal structure and dynamics, allowing us to characterize the planet's atmosphere. NASA’s upcoming missions will give us the high-resolution spectra necessary to constrain such atmospheric properties with unprecedented accuracy. However, to interpret the observed signals from exoplanetary transit events with any certainty, we need reliable atmospheric modeling tools that map both the physical and chemical processes affecting the particular type of planet under investigation. My work seeks to expand on past efforts in these two categories for irradiated giant exoplanets. These atmospheric models can be combined with future mission simulations to build tools that allow us to self-consistently “retrieve” the signatures we can expect to observe with the instruments. In my work thus far, I have built the robust Markov Chain Monte Carlo convergence scheme, with an analytical radiative equilibrium formulation to represent the thermal structures, within the NEMESIS atmospheric radiative transfer modeling and retrieval tool. I have combined this physics-based thermal structure with photochemical abundance profiles for the major gas atmospheric constituents, using the NASA Astrobiology Institute’s VPL/Atmos photochemistry model, which I recently extended to giant planet regimes. Here I will present my new Hot Jupiter models and retrievals results constructed from these latest enhancements. For comparison, I will show

  6. The chemistry of sodium chloride involvement in processes related to hot corrosion. [in gas turbine engines

    NASA Technical Reports Server (NTRS)

    Stearns, C. A.; Kohl, F. J.; Fryburg, G. C.

    1979-01-01

    Thermodynamic and mass transport calculations, and laboratory experiments elucidating the behavior of sodium chloride in combustion environments, in the deposition process, and in reactions with certain oxides on the surfaces of superalloys are summarized. It was found that some of the ingested salt is separated out of the air stream by the compressor. However, sodium chloride does pass from the compressor to the combustor where numerous chemical reactions take place. Here some of the salt is vaporized to yield gaseous sodium chloride molecules. Hydrogen and oxygen atoms present in the combustion products react with some sodium chloride to yield other gaseous species such as sodium, and a fraction of the salt remains as particulates. Both the gas phase and condensed sodium chloride can lead to sodium sulfate formation by various routes, all of which involve reaction with sulfur oxides and oxygen. In addition to contributing to the formation of sodium sulfate, the sodium chloride can contribute to corrosion directly.

  7. New Albany shale flash pyrolysis under hot-recycled-solid conditions: Chemistry and kinetics, II

    SciTech Connect

    Coburn, T.T.; Morris, C.J.

    1990-11-01

    The authors are continuing a study of recycle retorting of eastern and western oil shales using burnt shale as the solid heat carrier. Stripping of adsorbed oil from solid surfaces rather than the primary pyrolysis of kerogen apparently controls the release rate of the last 10--20% of hydrocarbons. Thus, the desorption rate defines the time necessary for oil recovery from a retort and sets the minimum hold-time in the pyrolyzer. A fluidized-bed oil shale retort resembles a fluidized-bed cat cracker in this respect. Recycled burnt shale cokes oil and reduces yield. The kerogen H/C ratio sets an upper limit on yield improvements unless external hydrogen donors are introduced. Steam can react with iron compounds to add to the H-donor pool. Increased oil yield when New Albany Shale pyrolyzes under hot-recycled-solid, steam-fluidization conditions has been confirmed and compared with steam retorting of acid-leached Colorado oil shale. In addition, with retorted, but unburnt, Devonian shale present at a recycle ratio of 3, the authors obtain 50% more oil-plus-gas than with burnt shale present. Procedures to make burnt shale more like unburnt shale can realize some increase in oil yield at high recycle ratios. Reduction with H{sub 2} and carbon deposition are possibilities that the authors have tested in the laboratory and can test in the pilot retort. Also, eastern spent shale burned at a high temperature (775 C, for example) cokes less oil than does spent shale burned at a low temperature (475 C). Changes in surface area with burn temperature contribute to this effect. 15 refs., 8 figs., 4 tabs.

  8. Effect of ball-milling surfactants on the interface chemistry in hot-compacted SmCo5 magnets

    SciTech Connect

    Li, WF; Sepehri-Amin, H; Zheng, LY; Cui, BZ; Gabay, AM; Hono, K; Huang, WJ; Ni, C; Hadjipanayis, GC

    2012-11-01

    Anisotropic SmCo5 nanoflakes prepared by high-energy ball-milling with surfactants have great potential in applications for high-performance nanocomposite magnets. For such "nanocomposite" applications, the surface structure and chemistry of nanoflakes are crucial for achieving high coercivity. In this study, hot-pressed samples from anisotropic SmCo5 nanoflakes, ball-milled with different surfactants, oleic acid (OA) and oleylamine (OY), were investigated. Interface layers between the SmCo5 nanoflakes were found to consist of samarium oxides and a soft magnetic Co phase. These surface layers contribute to the degradation of hard magnetic performance, which is confirmed by scanning transmission electron microscopy-energy dispersive X-ray spectroscopy analysis of the cross-section of a single flake ball-milled with OA. Samples milled with OY show a much thinner interface layer in compacted samples, which means that the surface degradation during ball-milling with OY is much less than that with OA. The results show clearly that the choice of proper surfactant and the control of processing parameters are the key factors for improving the surface condition of the nanoflakes and the resulting hard magnetic properties. (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  9. Neutral atom analyzers for diagnosing hot plasmas: A review of research at the ioffe physicotechnical institute

    SciTech Connect

    Kislyakov, A. I.; Petrov, M. P.

    2009-07-15

    Research on neutral particle diagnostics of thermonuclear plasmas that has been carried out in recent years at the Ioffe Physicotechnical Institute of the Russian Academy of Sciences (St. Petersburg, Russia) is reviewed. Work on the creation and improvement of neutral atom analyzers was done in two directions: for potential applications (in particular, on the International Thermonuclear Experimental Reactor, which is now under construction at Cadarache in France) and for investigation of the ion plasma component in various devices (in particular, in the largest tokamaks, such as JET, TFTR, and JT-60). Neutral atom analyzers are the main tool for studying the behavior of hydrogen ions and isotopes in magnetic confinement systems. They make it possible to determine energy spectra, to perform the isotope analysis of atom fluxes from the plasma, to measure the absolute intensity of the fluxes, and to record how these parameters vary with time. A comparative description of the analyzers developed in recent years at the Ioffe Institute is given. These are ACORD-12/24 analyzers for recording 0.2-100-keV hydrogen and deuterium atoms with a tunable range of simultaneously measured energies, CNPA compact analyzers for a fixed energy gain in the ranges 80-1000 eV and 0.8-100 keV, an ISEP analyzer for simultaneously recording the atoms of all the three hydrogen isotopes (H, D, and T) in the energy range 5-700 keV, and GEMMA analyzers for recording atom fluxes of hydrogen and helium isotopes in the range 0.1-4 MeV. The scintillating detectors of the ISEP and GEMMA analyzers have a lowered sensitivity to neutrons and thus can operate without additional shielding in neutron fields of up to 10{sup 9} n/(cm{sup 2} s). These two types of analyzers, intended to operate under deuterium-tritium plasma conditions, are prototypes of atom analyzers created at the Ioffe Institute for use in the International Thermonuclear Experimental Reactor. With these analyzers, a number of new results

  10. Neutral atom analyzers for diagnosing hot plasmas: A review of research at the ioffe physicotechnical institute

    NASA Astrophysics Data System (ADS)

    Kislyakov, A. I.; Petrov, M. P.

    2009-07-01

    Research on neutral particle diagnostics of thermonuclear plasmas that has been carried out in recent years at the Ioffe Physicotechnical Institute of the Russian Academy of Sciences (St. Petersburg, Russia) is reviewed. Work on the creation and improvement of neutral atom analyzers was done in two directions: for potential applications (in particular, on the International Thermonuclear Experimental Reactor, which is now under construction at Cadarache in France) and for investigation of the ion plasma component in various devices (in particular, in the largest tokamaks, such as JET, TFTR, and JT-60). Neutral atom analyzers are the main tool for studying the behavior of hydrogen ions and isotopes in magnetic confinement systems. They make it possible to determine energy spectra, to perform the isotope analysis of atom fluxes from the plasma, to measure the absolute intensity of the fluxes, and to record how these parameters vary with time. A comparative description of the analyzers developed in recent years at the Ioffe Institute is given. These are ACORD-12/24 analyzers for recording 0.2-100-keV hydrogen and deuterium atoms with a tunable range of simultaneously measured energies, CNPA compact analyzers for a fixed energy gain in the ranges 80-1000 eV and 0.8-100 keV, an ISEP analyzer for simultaneously recording the atoms of all the three hydrogen isotopes (H, D, and T) in the energy range 5-700 keV, and GEMMA analyzers for recording atom fluxes of hydrogen and helium isotopes in the range 0.1-4 MeV. The scintillating detectors of the ISEP and GEMMA analyzers have a lowered sensitivity to neutrons and thus can operate without additional shielding in neutron fields of up to 109 n/(cm2 s). These two types of analyzers, intended to operate under deuterium-tritium plasma conditions, are prototypes of atom analyzers created at the Ioffe Institute for use in the International Thermonuclear Experimental Reactor. With these analyzers, a number of new results have been

  11. Environmental Assessment for decontaminating and decommissioning the General Atomics Hot Cell Facility. Final [report

    SciTech Connect

    1995-08-01

    This EA evaluates the proposed action to decontaminate and decommission GA`s hot cell facility in northern San Diego, CA. This facility has been used for DOE and commercial nuclear R&D for > 30 years. About 30,000 cubic feet of decontamination debris and up to 50,000 cubic feet of contaminated soil are to be removed. Low-level radioactive waste would be shipped for disposal. It was determined that the proposal does not constitute a major federal action significantly affecting the human environment according to NEPA; therefore, a finding of no significant impact is made, and an environmental impact statement is not required.

  12. Dynamics of the Chemistry of Electronically Excited Atoms in Defined Quantum States.

    DTIC Science & Technology

    1980-08-15

    excited atom concentration by atomic absorption spectroscopy in the vacuum ultraviolet (6). Relatively efficient electronic to vibrational energy transfer...by the use of atomic absorption spectroscopy , permitted observation of both ground and electronically excited state bromine atoms. The deactivation of

  13. Atomic hydrogen escape rate due to charge exchange with hot plasmaspheric ions

    NASA Technical Reports Server (NTRS)

    Maher, L. J.; Tinsley, B. A.

    1977-01-01

    Data on ion and electron temperatures and concentrations to several thousand kilometers of altitude were obtained from the Atmosphere Explorer C satellite for 1974 and to 850 km from Arecibo incoherent scatter radar measurements. These data were used to normalize diffusive equilibrium profiles. From these profiles and by using the neutral atmospheric model of Jacchia (1971) and a new hydrogen model, the charge-exchange-induced neutral hydrogen escape fluxes for equatorial and middle latitudes were calculated. The data confirm earlier estimates that the charge exchange loss is more important than Jeans escape for the earth. It is also found that inside the plasmapause this charge exchange process with hot plasmapheric ions is the major production and loss process for the satellite population in the hydrogen geocorona.

  14. Reactions of Azine Anions with Nitrogen and Oxygen Atoms: Implications for Titan's Upper Atmosphere and Interstellar Chemistry.

    PubMed

    Wang, Zhe-Chen; Cole, Callie A; Demarais, Nicholas J; Snow, Theodore P; Bierbaum, Veronica M

    2015-08-26

    Azines are important in many extraterrestrial environments, from the atmosphere of Titan to the interstellar medium. They have been implicated as possible carriers of the diffuse interstellar bands in astronomy, indicating their persistence in interstellar space. Most importantly, they constitute the basic building blocks of DNA and RNA, so their chemical reactivity in these environments has significant astrobiological implications. In addition, N and O atoms are widely observed in the ISM and in the ionospheres of planets and moons. However, the chemical reactions of molecular anions with abundant interstellar and atmospheric atomic species are largely unexplored. In this paper, gas-phase reactions of deprotonated anions of benzene, pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine with N and O atoms are studied both experimentally and computationally. In all cases, the major reaction channel is associative electron detachment; these reactions are particularly important since they control the balance between negative ions and free electron densities. The reactions of the azine anions with N atoms exhibit larger rate constants than reactions of corresponding chain anions. The reactions of azine anions with O atoms are even more rapid, with complex product patterns for different reactants. The mechanisms are studied theoretically by employing density functional theory; spin conversion is found to be important in determining some product distributions. The rich gas-phase chemistry observed in this work provides a better understanding of ion-atom reactions and their contributions to ionospheric chemistry as well as the chemical processing that occurs in the boundary layers between diffuse and dense interstellar clouds.

  15. Tuning the surface chemistry of Pd by atomic C and H: a microscopic picture.

    PubMed

    Aleksandrov, Hristiyan A; Viñes, Francesc; Ludwig, Wiebke; Schauermann, Swetlana; Neyman, Konstantin M

    2013-01-21

    Palladium is crucial for industry-related applications such as heterogeneous catalysis, energy production, and hydrogen technologies. In many processes, atomic H and C species are proposed to be present in the surface/near-surface area of Pd, thus noticeably affecting its chemical activity. This study provides a detail and unified view on the interactions of the H and C species with Pd nanoparticles (NPs), which is indispensable for insight into their catalytic properties. Density functional calculations of the interplay of C and H atoms at various concentrations and sites on suitable Pd NPs have been performed, accompanied by catalysis-relevant experiments on oxide-supported bare and C-modified Pd NPs. It is shown that on a Pd(79) NP a subsurface C atom destabilizes nearby atoms H at low coverage. Our experiments confirm that H atoms bind more weakly on C-containing Pd NPs than on C-free NPs. Various factors related to the presence of both H and C atoms on a Pd(79) surface, which may influence the penetration of H atoms from the surface into the subsurface area, have been investigated. Carbon atoms facilitate the subsurface penetration of atomic H both thermodynamically and kinetically when the surface is densely covered by H atoms. Moreover, subsurface H atoms are also energetically favored, even in the absence of C atoms, when several facets of the NP are covered by H atoms.

  16. Photon pair production from a hot atomic ensemble in the diamond configuration

    NASA Astrophysics Data System (ADS)

    Willis, Richard Thomas

    This thesis discusses four-wave mixing (4WM) in a warm ensemble of rubidium using the diamond configuration level structure. Both classical 4WM and nonclassical photon-pair production are investigated. Quantum information science has spawned a great amount of experimental work on the interaction of light with collective modes of excitation in atomic ensembles. Plans to build quantum networks and quantum repeaters with atom ensembles take advantage of nonlinear interactions to produce and store non-classical states of light. These technologies will require photon sources that not only generate nonclassical light, but also resonant, narrow band light. Here we investigate a system which could be used as such a source. We take advantage of the 4WM interaction in a warm ensemble of Rubidium atoms. Our scheme utilizes the diamond energy level configuration which, in rubidium, allows for correlated pairs at telecommunications wavelengths. We start by examining the properties of classical 4WM in the system. We measure the resonance structure and see that it can be understood in terms of velocity class selective resonant enhancement and power splitting effects. The efficiency of the process is low and limited by linear absorption of the pumps. Our observations agree with a semi-classical Maxwell-Bloch theoretical treatment. Next we observe pair generation by spontaneous 4WM from the warm ensemble. The temporal profile of the cross-correlation function (CCF) for the photons depends on pump-laser power and detuning. This allows us to produce biphotons with controllable spectra. A simple quantum optical theoretical treatment based on linear filtering gives qualitative agreement with the data. We show that the photon pairs are polarization entangled, clearly violating Bell's Inequality. A perturbative quantum optical treatment predicts the polarization state of the pairs and agrees with our measurements. We analyze the photon statistics of the source and find the largest

  17. Atomic-scale control of TiO6 octahedra through solution chemistry towards giant dielectric response

    PubMed Central

    Hu, Wanbiao; Li, Liping; Li, Guangshe; Liu, Yun; Withers, Ray L.

    2014-01-01

    The structures of many important functional oxides contain networks of metal-oxygen polyhedral units i.e. MOn. The correlation between the configurations and connectivities of these MOn to properties is essentially important to be well established to conduct the design, synthesis and application of new MOn-based functional materials. In this paper, we report on an atomic-scale solution-chemistry approach that for the first time enables TiO6 octahedral network control starting from metastable brookite TiO2 through simultaneously tuning pH values and interfering ions (Fe3+, Sc3+, and Sm3+). The relationship between solution chemistry and the resultant configuration/connectivity of TiO6 octahedra in TiO2 and lepidocrocite titanate is mapped out. Apart from differing crystalline phases and morphologies, atomic-scale TiO6 octahedral control also endows numerous defect dipoles for giant dielectric responses. The structural and property evolutions are well interpreted by the associated H+/OH− species in solution and/or defect states associated with Fe3+ occupation within TiO6 octahedra. This work therefore provides fundamental new insights into controlling TiO6 octahedral arrangement essential for atomic-scale structure-property design. PMID:25301286

  18. Importance of High-frequency Chemistry for Resolving Hot Moments in Headwaters: A Combined Optical Sensor and Time-series Modelling Approach

    NASA Astrophysics Data System (ADS)

    Jones, T.; Chappell, N. A.; Tych, W.; Bhalla, R. S.

    2015-12-01

    There are several studies that clearly demonstrate that storm periods are hot moments for biogeochemical flux in headwaters (e.g. Robson et al 1993 J Hydrol: 291-310). Despite this few models have been developed that can adequately capture fast (e.g. sub-hourly) temporal dynamics through these hot moments, and an equally small proportion of monitoring stations with high-frequency observations that have been analysed systematically. We are able to show that inadequate temporal sampling of hot moments ('aliasing') leads to subsequent misinterpretation of biogeochemical and hydrological processes. We have addressed this through continuous deployment of state-of-the-art field sensors producing sub-hourly river data where hot moment dynamics are extracted directly using new algorithms within the CAPTAIN toolbox, following Jones, Chappell & Tych (2014 Environ Sci Technol: 13289-97). These algorithms are capable of extracting the river transport parameters associated with reactive solutes, notably carbon. We demonstrate that most of the dynamics within these biogeochemical time-series relate to individual rainstorms (the hot moments), with the shape of the storm-based response being strongly moderated by the hydrological pathways. With parsimonious modelling using CAPTAIN we are able to show that these shapes are distorted by under-sampling of stream chemistry giving rise to different interpretations of the biogeochemical pathways and associated hydrological pathways. This work provides clear evidence that researchers and practitioners should implement high-frequency water quality monitoring and associated time-series analysis.

  19. From {sup 3}He{at}C{sub 60} to {sup 3}H{at}C{sub 60}: Hot-atom incorporation of tritium in C{sub 60}

    SciTech Connect

    Khong, A.; Cross, R.J.; Saunders, M.

    2000-05-04

    The introduction of tritium into the cavity of C{sub 60} using hot-atom chemistry was studied. Neutron irradiation of {sup 3}He in {sup 3}He{at}C{sub 60} produced tritium ions and atoms which enter the C{sub 60}. {sup 3}H{at}C{sub 60} was detected with a scintillation counter. The Bingel reaction was carried out on this material under conditions so that the monoadduct formed predominantly, and the products were probed for tritium activity. Analysis with {sup 3}He NMR gave a peak with the characteristic {sup 3}He shift for the malonate product. The product fractions gave only 33% of the original activity; most was recovered in the unreacted C{sub 60} portion. No reaction was observed between C{sub 60} and the stable radical di-tert-butylnitroxide; all tritium activity was recovered in the C{sub 60} peak. These results suggest similarities in properties between {sup 3}H{at}C{sub 60} and pure C{sub 60}, implying that the tritium exists as a free atom inside the molecule.

  20. Ultrafast formation of interlayer hot excitons in atomically thin MoS2/WS2 heterostructures

    PubMed Central

    Chen, Hailong; Wen, Xiewen; Zhang, Jing; Wu, Tianmin; Gong, Yongji; Zhang, Xiang; Yuan, Jiangtan; Yi, Chongyue; Lou, Jun; Ajayan, Pulickel M.; Zhuang, Wei; Zhang, Guangyu; Zheng, Junrong

    2016-01-01

    Van der Waals heterostructures composed of two-dimensional transition-metal dichalcogenides layers have recently emerged as a new family of materials, with great potential for atomically thin opto-electronic and photovoltaic applications. It is puzzling, however, that the photocurrent is yielded so efficiently in these structures, despite the apparent momentum mismatch between the intralayer/interlayer excitons during the charge transfer, as well as the tightly bound nature of the excitons in 2D geometry. Using the energy-state-resolved ultrafast visible/infrared microspectroscopy, we herein obtain unambiguous experimental evidence of the charge transfer intermediate state with excess energy, during the transition from an intralayer exciton to an interlayer exciton at the interface of a WS2/MoS2 heterostructure, and free carriers moving across the interface much faster than recombining into the intralayer excitons. The observations therefore explain how the remarkable charge transfer rate and photocurrent generation are achieved even with the aforementioned momentum mismatch and excitonic localization in 2D heterostructures and devices. PMID:27539942

  1. Competition of silene/silylene chemistry with free radical chain reactions using 1-methylsilacyclobutane in the hot-wire chemical vapor deposition process.

    PubMed

    Badran, I; Forster, T D; Roesler, R; Shi, Y J

    2012-10-18

    The gas-phase reaction chemistry of using 1-methylsilacyclobutane (MSCB) in the hot-wire chemical vapor deposition (CVD) process has been investigated by studying the decomposition of MSCB on a heated tungsten filament and subsequent gas-phase reactions in a reactor. Three pathways exist to decompose MSCB on the filament to form ethene/methylsilene, propene/methylsilylene, and methyl radicals. The activation energies for forming propene and methyl radical, respectively, are determined to be 68.7 ± 1.3 and 46.7 ± 2.5 kJ·mol(-1), which demonstrates the catalytic nature of the decomposition. The secondary gas-phase reactions in the hot-wire CVD reactor are characterized by the competition between a free radical chain reaction and the cycloaddition of silene reactive species produced either from the primary decomposition of MSCB on the filament or the isomerization of silylene species. At lower filament temperatures of 1000-1100 °C and short reaction time (t ≤ 15 min), the free radical chain reaction is equally important as the silene chemistry. With increasing filament temperature and reaction time, silene chemistry predominates.

  2. Bonds Between Metal Atoms: A New Mode of Transition Metal Chemistry.

    ERIC Educational Resources Information Center

    Cotton, F. Albert; Chisholm, Malcolm H.

    1982-01-01

    Discusses polynuclear metal clusters (containing two or more metal atoms bonded to one another as well as to nonmetallic elements), including their formation and applications. Studies of bonds between metal atoms reveal superconductors, organic-reaction catalysts, and photosensitive complexes that may play a role in solar energy. (JN)

  3. Surface chemistry of the atomic layer deposition of metals and group III oxides

    NASA Astrophysics Data System (ADS)

    Goldstein, David Nathan

    Atomic Layer Deposition (ALD) is a thin-film growth technique offering precise control of film thickness and the ability to coat high-aspect-ratio features such as trenches and nanopowders. Unlike other film growth techniques, ALD does not require harsh processing conditions and is not limited by line-of-sight deposition. Emerging applications for ALD materials include semiconductor devices, gas sensors, and water-diffusion barriers. The chemistry behind ALD involves understanding how the precursors interact with surfaces to deposit the desired material. All ALD precursors need to be stable on the substrate to ensure self-limiting behavior yet reactive enough to be easily removed with the second reagent. Recent precursor development has provided many volatile organometallic compounds for most of the periodic table. As the number of precursors increases, proper precursor choice becomes crucial. This is because the film properties, growth rates, and growth temperature vary widely between the precursors. Many of the above traits can be predicted with knowledge of the precursor reaction mechanisms. This thesis aims to link surface reaction mechanisms to observed growth and nucleation trends in metal and oxide ALD systems. The first portion of this thesis explores the mechanisms of two ALD oxide systems. First, I examine the mechanism of ALD alumina with ozone. Ozone is used as an oxidant in the semiconductor industry because the deposited Al 2O3 films possess better insulating properties and ozone is easier to purge from a vacuum system. FT-IR analysis reveals a complicated array of surface intermediates such as formate, carbonate, and methoxy groups that form during Al2O3 growth with ozone. Next, a new method to deposit thin films of Ga2O3 is introduced. Gallium oxide is a transparent conducting oxide that needs expensive solid precursors to be deposited by ALD. I show that trimethylgallium is a good high-temperature ALD precursor that deposits films of Ga2O 3 with

  4. Divisible Atoms or None at All? Facing the European Contributions to Developments of Chemistry and Physics in China.

    PubMed

    Južnič, Stanislav

    2016-12-01

    atoms is discussed as possible new paradigm which could rename the destructible divisible entities of future physics, and with more difficulties also of chemistry. The word atom meaning indivisible not compound entity is basically in contradiction with the characteristics of item it is supposed to describe. The suffix "a" provides a negation in Ancient Greek language. The suffix should be omitted to use tom (τομος) to manage the actual situation of a-toms (=Toms) as compound of elementary particles. In late 19th century after the European Spring of Nations actually two basically different concepts of atoms of chemists and physicists accomplished a kind of symbioses. The suggestion is put forward that while indivisible atoms soon became contradictions in physics, they still retain some value in chemistry which should be taken into account in the attempt to hange the name of atom. The research of human genome as the atom of genetics is similar in broader sense, while there is no basic problem with the nomenclature of genome. The genome manipulations are far less obstructed with Chinese traditions compared to Christian beliefs.

  5. He-Ion and Self-Atom Induced Damage and Surface-Morphology Changes of a Hot W Target

    SciTech Connect

    Meyer, Fred W; Hijazi, Hussein Dib; Krstic, Predrag S; Dadras, Mostafa Jonny; Meyer III, Harry M; Parish, Chad M; Bannister, Mark E

    2014-01-01

    We report results of measurements on the evolution of the surface morphology of a hot tungsten surface due to impacting low-energy (80 12,000 eV) He ions and of simulations of damage caused by cumulative bombardment of 1 and 10 keV W self-atoms. The measurements were performed at the ORNL Multicharged Ion Research Facility (MIRF), while the simulations were done at the Kraken supercomputing facility of the University of Tennessee. At 1 keV, the simulations show strong defect-recombination effects that lead to a saturation of the total defect number after a few hundreds impacts, while sputtering leads to an imbalance of the vacancy and interstitial number. On the experimental side, surface morphology changes were investigated over a broad range of fluences for both virgin and pre-damaged W-targets. At the lowest accumulated fluences, small surface-grain features and near-surface He bubbles are observed. At the largest fluences, individual grain characteristics disappear in FIB/SEM scans, and the entire surface is covered by a multitude of near-surface bubbles with a broad range of sizes, and disordered whisker growth, while in top-down SEM imaging the surface is virtually indistinguishable from the nano-fuzz produced on linear plasma devices. These features are evident at progressively lower fluences as the He-ion energy is increased.

  6. The H + OCS hot atom reaction - CO state distributions and translational energy from time-resolved infrared absorption spectroscopy

    NASA Technical Reports Server (NTRS)

    Nickolaisen, Scott L.; Cartland, Harry E.

    1993-01-01

    Time-resolved infrared diode laser spectroscopy has been used to probe CO internal and translational excitation from the reaction of hot H atoms with OCS. Product distributions should be strongly biased toward the maximum 1.4 eV collision energy obtained from 278 nm pulsed photolysis of HI. Rotations and vibrations are both colder than predicted by statistical density of states theory, as evidenced by large positive surprisal parameters. The bias against rotation is stronger than that against vibration, with measurable population as high as v = 4. The average CO internal excitation is 1920/cm, accounting for only 13 percent of the available energy. Of the energy balance, time-resolved sub-Doppler line shape measurements show that more than 38 percent appears as relative translation of the separating CO and SH fragments. Studies of the relaxation kinetics indicate that some rotational energy transfer occurs on the time scale of our measurements, but the distributions do not relax sufficiently to alter our conclusions. Vibrational distributions are nascent, though vibrational relaxation of excited CO is unusually fast in the OCS bath, with rates approaching 3 percent of gas kinetic for v = 1.

  7. Assessing Mixing Quality of a Copovidone-TPGS Hot Melt Extrusion Process with Atomic Force Microscopy and Differential Scanning Calorimetry.

    PubMed

    Lamm, Matthew S; DiNunzio, James; Khawaja, Nazia N; Crocker, Louis S; Pecora, Anthony

    2016-02-01

    Atomic force microscopy (AFM) and modulated differential scanning calorimetry (mDSC) were used to evaluate the extent of mixing of a hot melt extrusion process for producing solid dispersions of copovidone and D-α-tocopherol polyethylene glycol 1000 succinate (TPGS 1000). In addition to composition, extrusion process parameters of screw speed and thermal quench rate were varied. The data indicated that for 10% TPGS and 300 rpm screw speed, the mixing was insufficient to yield a single-phase amorphous material. AFM images of the extrudate cross section for air-cooled material indicate round domains 200 to 700 nm in diameter without any observed alignment resulting from the extrusion whereas domains in extrudate subjected to chilled rolls were elliptical in shape with uniform orientation. Thermal analysis indicated that the domains were predominantly semi-crystalline TPGS. For 10% TPGS and 600 rpm screw speed, AFM and mDSC data were consistent with that of a single-phase amorphous material for both thermal quench rates examined. When the TPGS concentration was reduced to 5%, a single-phase amorphous material was achieved for all conditions even the slowest screw speed studied (150 rpm).

  8. Application of an atomic oxygen beam facility to the investigation of shuttle glow chemistry

    NASA Technical Reports Server (NTRS)

    Arnold, G. S.; Peplinski, D. R.

    1985-01-01

    A facility for the investigation of the interactions of energetic atomic oxygen with solids is described. The facility is comprised of a four chambered, differentially pumped molecular beam apparatus which can be equipped with one of a variety of sources of atomic oxygen. The primary source is a dc arc heated supersonic nozzle source which produces a flux of atomic oxygen in excess of 10 to the 15th power sq cm/sec at the target, at a velocity of 3.5 km/sec. Results of applications of this facility to the study of the reactions of atomic oxygen with carbon and polyimide films are briefly reviewed and compared to data obtained on various flights of the space shuttle. A brief discussion of possible application of this facility to investigation of chemical reactions which might contribute to atmosphere induced vehicle glow is presented.

  9. Determination of Mercury in Milk by Cold Vapor Atomic Fluorescence: A Green Analytical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Armenta, Sergio; de la Guardia, Miguel

    2011-01-01

    Green analytical chemistry principles were introduced to undergraduate students in a laboratory experiment focused on determining the mercury concentration in cow and goat milk. In addition to traditional goals, such as accuracy, precision, sensitivity, and limits of detection in method selection and development, attention was paid to the…

  10. Deep Atomic Binding (DAB) Hypothesis: A New Approach of Fission Product Chemistry

    SciTech Connect

    Ajlouni, Abdul-Wali M.S.

    2006-07-01

    Former studies assumed that, after fission process occurs, the highly ionized new born atoms (20-22 positive charge), ionize the media in which they pass through before becoming stable atoms in a manner similar to 4-MeV ?-particles. Via ordinary chemical reactions with the surroundings, each stable atom has a probability to form chemical compound. Since there are about 35 different elemental atoms created through fission processes, a large number of chemical species were suggested to be formed. But, these suggested chemical species were not found in the environment after actual releases of FP during accidents like TMI (USA, 1979), and Chernobyl (former USSR, 1986), also the models based on these suggested reactions and species could not interpret the behavior of these actual species. It is assumed here that the ionization states of the new born atoms and the long term high temperature were not dealt with in an appropriate way and they were the reasons of former models failure. Our new approach of Deep Atomic Binding (DAB) based on the following: 1-The new born atoms which are highly ionized, 10-12 electrons associated with each nucleus, having a large probability to create bonds between them to form molecules. These bonds are at the L, or M shells, and we call it DAB. 2-The molecules stay in the reactor at high temperatures for long periods, so they undergo many stages of composition and decomposition to form giant molecules. By applying DAB approach, field data from Chernobyl, TMI and nuclear detonations could be interpreted with a wide coincidence resulted. (author)

  11. Atomic-Scale Structure and Local Chemistry of CoFeB-MgO Magnetic Tunnel Junctions.

    PubMed

    Wang, Zhongchang; Saito, Mitsuhiro; McKenna, Keith P; Fukami, Shunsuke; Sato, Hideo; Ikeda, Shoji; Ohno, Hideo; Ikuhara, Yuichi

    2016-03-09

    Magnetic tunnel junctions (MTJs) constitute a promising building block for future nonvolatile memories and logic circuits. Despite their pivotal role, spatially resolving and chemically identifying each individual stacking layer remains challenging due to spatially localized features that complicate characterizations limiting understanding of the physics of MTJs. Here, we combine advanced electron microscopy, spectroscopy, and first-principles calculations to obtain a direct structural and chemical imaging of the atomically confined layers in a CoFeB-MgO MTJ, and clarify atom diffusion and interface structures in the MTJ following annealing. The combined techniques demonstrate that B diffuses out of CoFeB electrodes into Ta interstitial sites rather than MgO after annealing, and CoFe bonds atomically to MgO grains with an epitaxial orientation relationship by forming Fe(Co)-O bonds, yet without incorporation of CoFe in MgO. These findings afford a comprehensive perspective on structure and chemistry of MTJs, helping to develop high-performance spintronic devices by atomistic design.

  12. Isomerization and fragmentation of acetonitrile upon interaction with N(4S) atoms: the chemistry of nitrogen in dense molecular clouds

    NASA Astrophysics Data System (ADS)

    Mencos, Alejandro; Krim, Lahouari

    2016-08-01

    We experimentally show that the reaction between ground state nitrogen atoms N(4S) and acetonitrile CH3CN can lead to two distinct chemical pathways that are both thermally activated at very low temperatures. First is CH3CN isomerization which produces CH3NC and H2CCNH. Second is CH3CN decomposition which produces HNC and CH3CNH+CN- fragments, with the possible release of H2. Our results reveal that the mobility of N(4S)-atoms is stimulated in the 3-11 K temperature range, and that its subsequent encounter with one acetonitrile molecule is sufficient for the aforementioned reactions to occur without the need for additional energy to be supplied to the CH3CN + N(4S) system. These findings shed more light on the nitrogen chemistry that can possibly take place in dense molecular clouds, which until now was thought to only involve high-energy processes and therefore be unlikely to occur in such cold and dark interstellar regions. The reaction pathways we propose in this study have very important astrochemical implications, as it was shown recently that the atomic nitrogen might be more abundant, in many interstellar icy grain mantles, than previously thought. Also, these reaction pathways can now be considered within dense molecular clouds, and possibly affect the branching ratios for N-bearing molecules computed in astrochemical modelling.

  13. Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

    PubMed Central

    Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko

    2017-01-01

    In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter–photon problems. We analyze model systems in optical cavities, where the matter–photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born–Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron–photon dynamics. This work paves the way to describe matter–photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science. PMID:28275094

  14. Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry.

    PubMed

    Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel

    2017-03-21

    In this work, we provide an overview of how well-established concepts in the fields of quantum chemistry and material sciences have to be adapted when the quantum nature of light becomes important in correlated matter-photon problems. We analyze model systems in optical cavities, where the matter-photon interaction is considered from the weak- to the strong-coupling limit and for individual photon modes as well as for the multimode case. We identify fundamental changes in Born-Oppenheimer surfaces, spectroscopic quantities, conical intersections, and efficiency for quantum control. We conclude by applying our recently developed quantum-electrodynamical density-functional theory to spontaneous emission and show how a straightforward approximation accurately describes the correlated electron-photon dynamics. This work paves the way to describe matter-photon interactions from first principles and addresses the emergence of new states of matter in chemistry and material science.

  15. Atomic scale characterization and surface chemistry of metal modified titanate nanotubes and nanowires

    NASA Astrophysics Data System (ADS)

    Kukovecz, Ákos; Kordás, Krisztián; Kiss, János; Kónya, Zoltán

    2016-10-01

    Titanates are salts of polytitanic acid that can be synthesized as nanostructures in a great variety concerning crystallinity, morphology, size, metal content and surface chemistry. Titanate nanotubes (open-ended hollow cylinders measuring up to 200 nm in length and 15 nm in outer diameter) and nanowires (solid, elongated rectangular blocks with length up to 1500 nm and 30-60 nm diameter) are the most widespread representatives of the titanate nanomaterial family. This review covers the properties and applications of these two materials from the surface science point of view. Dielectric, vibrational, electron and X-ray spectroscopic results are comprehensively discussed first, then surface modification methods including covalent functionalization, ion exchange and metal loading are covered. The versatile surface chemistry of one-dimensional titanates renders them excellent candidates for heterogeneous catalytic, photocatalytic, photovoltaic and energy storage applications, therefore, these fields are also reviewed.

  16. The Development of Dalton's Atomic Theory as a Case Study in the History of Science: Reflections for Educators in Chemistry

    NASA Astrophysics Data System (ADS)

    Viana, Hélio Elael Bonini; Porto, Paulo Alves

    2010-01-01

    The inclusion of the history of science in science curricula—and specially, in the curricula of science teachers—is a trend that has been followed in several countries. The reasons advanced for the study of the history of science are manifold. This paper presents a case study in the history of chemistry, on the early developments of John Dalton’s atomic theory. Based on the case study, several questions that are worth discussing in educational contexts are pointed out. It is argued that the kind of history of science that was made in the first decades of the twentieth century (encyclopaedic, continuist, essentially anachronistic) is not appropriate for the development of the competences that are expected from the students of sciences in the present. Science teaching for current days will benefit from the approach that may be termed the “new historiography of science”.

  17. Effect of Si-H bond on the gas-phase chemistry of trimethylsilane in the hot wire chemical vapor deposition process.

    PubMed

    Shi, Y J; Li, X M; Toukabri, R; Tong, L

    2011-09-22

    The effect of the Si-H bond on the gas-phase reaction chemistry of trimethylsilane in the hot-wire chemical vapor deposition (HWCVD) process has been studied by examining its decomposition on a hot tungsten filament and the secondary gas-phase reactions in a reactor using a soft laser ionization source coupled with mass spectrometry. Trimethylsilane decomposes on the hot filament via Si-H and Si-CH(3) bond cleavages. A short-chain mechanism is found to dominate in the secondary reactions in the reactor. It has been shown that the hydrogen abstractions of both Si-H and C-H occur simultaneously, with the abstraction of Si-H being favored. Tetramethylsilane and hexamethyldisilane are the two major products formed from the radical recombination reactions in the termination steps. Three methyl-substituted disilacyclobutane molecules, i.e., 1,3-dimethyl-1,3-disilacyclobutane, 1,1,3-trimethyl-1,3-disilacyclobutane, and 1,1,3,3-tetramethyl-1,3-disilacyclobutane are also produced in reactor from the cycloaddition reactions of methyl-substituted silene species. Compared to tetramethylsilane and hexamethyldisilane, a common feature with trimethylsilane is that the short-chain mechanism still dominates. However, a more active involvement of the reactive silene intermediates has been found with trimethylsilane.

  18. Experiences and Reflections about Teaching Atomic Structure in a Jigsaw Classroom in Lower Secondary School Chemistry Lessons

    NASA Astrophysics Data System (ADS)

    Eilks, Ingo

    2005-02-01

    This article describes and discusses an example of how atomic structure can be taught in lower secondary chemistry using a modified jigsaw-classroom method. The lesson was taught in grades 9 and 10 (age range 15 17 years) chemistry in 13 learning groups with a total of 313 students in various grammar, middle, and comprehensive schools in Germany. The written evaluation of the lesson focused on determining the students’ opinions on the teaching methods that were used. Emphasis was on gathering information from the students’ viewpoint. Did the students think that these methods could make science lessons more attractive? Could these methods help to promote more active student learning, cooperative learning, or communicative and social abilities? Additional data that were derived from a cognitive test and teacher feedback are also presented. The results of the study show that teaching methods like the jigsaw classroom have potential to improve students’ attitude towards science. The results may also indicate that it is appropriate to demand that student-oriented and cooperative-learning methods be used more often in secondary level science education.

  19. Chemistry of the outer planets

    NASA Technical Reports Server (NTRS)

    Scattergood, Thomas W.

    1992-01-01

    Various aspects were studied of past or present chemistry in the atmospheres of the outer planets and their satellites using lab simulations. Three areas were studied: (1) organic chemistry induced by kinetically hot hydrogen atoms in the region of Jupiter's atmosphere containing the ammonia cirrus clouds; (2) the conversion of NH3 into N2 by plasmas associated with entry of meteors and other objects into the atmosphere of early Titan; and (3) the synthesis of simple hydrocarbons and HCN by lightning in mixtures containing N2, CH4, and NH3 representing the atmospheres of Titan and the outer planets. The results showed that: (1) hot H2 atoms formed from the photodissociation of NH3 in Jupiter's atmosphere could account for some of the atmospheric chemistry in the ammonia cirrus cloud region; (2) the thermalization of hot H2 atoms in atmospheres predominated by molecular H is not as rapid as predicted by elastic collision theory; (3) the net quantum loss of NH3 in the presence of a 200 fold excess of H2 is 0.02, much higher than was expected from the amount of H2 present; (4) the conversion of NH3 into N2 in plasmas associated with infalling meteors is very efficient and rapid, and could account for most of the N2 present on Titan; (5) the yields of C2H2 and HCN from lightning induced chemistry in mixtures of CH4 and N2 is consistent with quenched thermodynamic models of the discharge core; and (6) photolysis induced by the UV light emitted by the gases in the hot plasmas may account for some, if not most, of the excess production of C2H6 and the more complex hydrocarbons.

  20. Reactions of atomic carbon with oxygenated compounds and the investigation of fullerene chemistry

    SciTech Connect

    Chang, Tsongming.

    1993-01-01

    The reaction of atomic carbon with oxygenated organics produces CO and an energetic fragment. Reactions involving deoxygenation of carbonyl compounds to carbenes, epoxides to alkenes, and ethers to a pair of radicals have been investigated. Carbon atom deoxygenation of cyclopentanone and cylcopentene oxide give the cleavage products, ethylene and allene, along with cyclopentene. The use of 2,2,5,5-d[sub 4]-cyclopentanone as the substrate reveals the direct cleavage of cyclopentanylidene carbene is occurring. A calculation of the energetics of this reaction at the MP4/6-31G[sup *]//6-31G[sup *] level suggests a nonconcerted cleavage via a biradical intermediate. Carbon atoms deoxygenate cyclohexene. Inert gas deactivated energetic cyclohexene. The deoxygenation of other oxygenated compounds by atomic carbon, such as 7-oxabicyclo[2.2.1]heptane to cyclohexane-1,4-diyl biradical, 1,2-epoxy-5-hexane to energetic 1,S-hexadiene, allyl ether to allyl radicals, and [gamma]-butyrolactone to trimethylene-1,3-diyl biradical have also been carried out. Methylketene was deoxygenated to vinylidene carbene which rearranges to propyne via a 1,2-H shift. Dimethylketene was deoxygenated to dimethylethylidene carbene which gives 2-butyne via a 1,2-methyl shift and 1,3-butadiene via a vicinal C-H bond insertion. The addition of hydrogen donors to systems in which C[sub 60] is generated results in the formation of polycyclic aromatic hydrocarbons whose carbon skeleton might represent intermediates in fullerene formation. Based on this result, the author proposed a mechanism of fullerene formation. The use of various amounts of propene as a trap showed that the yield of fullerenes decreases as the amount of the trapped product increases. Attempts to trap intermediates in fullerene formation using halides and metals have been studied. The author has attempted metal encapsulation reactions and investigated some possible chemical reactions of fullerenes.

  1. Near-Atomic Three-Dimensional Mapping for Site-Specific Chemistry of 'Superbugs'.

    PubMed

    Adineh, Vahid R; Marceau, Ross K W; Velkov, Tony; Li, Jian; Fu, Jing

    2016-11-09

    Emergence of multidrug resistant Gram-negative bacteria has caused a global health crisis and last-line class of antibiotics such as polymyxins are increasingly used. The chemical composition at the cell surface plays a key role in antibiotic resistance. Unlike imaging the cellular ultrastructure with well-developed electron microscopy, the acquisition of a high-resolution chemical map of the bacterial surface still remains a technological challenge. In this study, we developed an atom probe tomography (APT) analysis approach to acquire mass spectra in the pulsed-voltage mode and reconstructed the 3D chemical distribution of atoms and molecules in the subcellular domain at the near-atomic scale. Using focused ion beam (FIB) milling together with micromanipulation, site-specific samples were retrieved from a single cell of Acinetobacter baumannii prepared as needle-shaped tips with end radii less than 60 nm, followed by a nanoscale coating of silver in the order of 10 nm. The significantly elevated conductivity provided by the metallic coating enabled successful and routine field evaporation of the biological material, with all the benefits of pulsed-voltage APT. In parallel with conventional cryo-TEM imaging, our novel approach was applied to investigate polymyxin-susceptible and -resistant strains of A. baumannii after treatment of polymyxin B. Acquired atom probe mass spectra from the cell envelope revealed characteristic fragments of phosphocholine from the polymyxin-susceptible strain, but limited signals from this molecule were detected in the polymyxin-resistant strain. This study promises unprecedented capacity for 3D nanoscale imaging and chemical mapping of bacterial cells at the ultimate 3D spatial resolution using APT.

  2. Probing Grain-Boundary Chemistry and Electronic Structure in Proton-Conducting Oxides by Atom Probe Tomography.

    PubMed

    Clark, Daniel R; Zhu, Huayang; Diercks, David R; Ricote, Sandrine; Kee, Robert J; Almansoori, Ali; Gorman, Brian P; O'Hayre, Ryan P

    2016-11-09

    A laser-assisted atom-probe-tomographic (LAAPT) method has been developed and applied to measure and characterize the three-dimensional atomic and electronic nanostructure at an yttrium-doped barium zirconate (BaZr0.9Y0.1O3-δ, BZY10) grain boundary. Proton-conducting perovskites, such as BZY10, are attracting intense interest for a variety of energy conversion applications. However, their implementation has been hindered, in part, because of high grain-boundary (GB) resistance that is attributed to a positive GB space-charge layer (SCL). In this study, LAAPT is used to analyze BZY10 GB chemistry in three dimensions with subnanometer resolution. From this analysis, maps of the charge density and electrostatic potential arising at the GBs are derived, revealing for the first time direct chemical evidence that a positive SCL indeed exists at these GBs. These maps reveal new insights on the inhomogeneity of the SCL region and produce an average GB potential barrier of approximately 580 mV, agreeing with previous indirect electrochemical measurements.

  3. Is There a Need to Discuss Atomic Orbital Overlap When Teaching Hydrogen-Halide Bond Strength and Acidity Trends in Organic Chemistry?

    ERIC Educational Resources Information Center

    Devarajan, Deepa; Gustafson, Samantha J.; Bickelhaupt, F. Matthias; Ess, Daniel H.

    2015-01-01

    Undergraduate organic chemistry textbooks and Internet websites use a variety of approaches for presenting and explaining the impact of halogen atom size on trends in bond strengths and/or acidity of hydrogen halides. In particular, several textbooks and Internet websites explain these trends by invoking decreasing orbital overlap between the…

  4. Hot Canyon

    ScienceCinema

    None

    2016-07-12

    This historical film footage, originally produced in the early 1950s as part of a series by WOI-TV, shows atomic research at Ames Laboratory. The work was conducted in a special area of the Laboratory known as the "Hot Canyon."

  5. Hot Canyon

    SciTech Connect

    2012-01-01

    This historical film footage, originally produced in the early 1950s as part of a series by WOI-TV, shows atomic research at Ames Laboratory. The work was conducted in a special area of the Laboratory known as the "Hot Canyon."

  6. LASER ABLATION-INDUCTIVELY COUPLED PLASMA-ATOMIC EMISSION SPECTROSCOPY STUDY AT THE 222-S LABORATORY USING HOT-CELL GLOVE BOX PROTOTYPE SYSTEM

    SciTech Connect

    LOCKREM LL; OWENS JW; SEIDEL CM

    2009-03-26

    This report describes the installation, testing and acceptance of the Waste Treatment and Immobilization Plant procured laser ablation-inductively coupled plasma-atomic emission spectroscopy (LA-ICP-AES) system for remotely analyzing high-level waste samples in a hot cell environment. The 2005-003; ATS MP 1027, Management Plan for Waste Treatment Plant Project Work Performed by Analytical Technical Services. The APD group at the 222-S laboratory demonstrated acceptable turnaround time (TAT) and provide sufficient data to assess sensitivity, accuracy, and precision of the LA-ICP-AES method.

  7. LASER ABLATION-INDUCTIVELY COUPLED PLASMA-ATOMIC EMISSION SPECTROSCOPY STUDY AT THE 222-S LABORATORY USING HOT-CELL GLOVE BOX PROTOTYPE SYSTEM

    SciTech Connect

    SEIDEL CM; JAIN J; OWENS JW

    2009-02-23

    This report describes the installation, testing, and acceptance of the Waste Treatment and Immobilization Plant (WTP) procured laser ablation-inductively coupled plasma-atomic emission spectroscopy (LA-ICP-AES) system for remotely analyzing high-level waste (HLW) samples in a hot cell environment. The work was completed by the Analytical Process Development (APD) group in accordance with Task Order 2005-003; ATS MP 1027, Management Plan for Waste Treatment Plant Project Work Performed by Analytical Technical Services. The APD group at the 222-S Laboratory demonstrated acceptable turnaround time (TAT) and provide sufficient data to assess sensitivity, accuracy, and precision of the LA-ICP-AES method.

  8. Comparison of hydrolytic and non-hydrolytic atomic layer deposition chemistries: Interfacial electronic properties at alumina-silicon interfaces

    SciTech Connect

    Marstell, Roderick J.; Strandwitz, Nicholas C.

    2015-11-14

    We report the differences in the passivation and electronic properties of aluminum oxide (Al{sub 2}O{sub 3}) deposited on silicon via traditional hydrolytic atomic layer deposition (ALD) and non-hydrolytic (NH) ALD chemistries. Traditional films were grown using trimethylaluminum (TMA) and water and NHALD films grown using TMA and isopropanol at 300 °C. Hydrolytically grown ALD films contain a smaller amount of fixed charge than NHALD films (oxide fixed charge Q{sub f} {sub Traditional} = −8.1 × 10{sup 11 }cm{sup −2} and Q{sub f} {sub NHALD} = −3.6 × 10{sup 12 }cm{sup −2}), and a larger degree of chemical passivation than NHALD films (density of interface trap states, D{sub it} {sub Traditional} = 5.4 × 10{sup 11 }eV{sup −1 }cm{sup −2} and D{sub it} {sub NHALD} = 2.9 × 10{sup 12 }eV{sup −1 }cm{sup −2}). Oxides grown with both chemistries were found to have a band gap of 7.1 eV. The conduction band offset was 3.21 eV for traditionally grown films and 3.38 eV for NHALD. The increased D{sub it} for NHALD films may stem from carbon impurities in the oxide layer that are at and near the silicon surface, as evidenced by both the larger trap state time constant (τ{sub Traditional} = 2.2 × 10{sup −9} s and τ{sub NHALD} = 1.7 × 10{sup −7} s) and the larger carbon concentration. We have shown that the use of alcohol-based oxygen sources in NHALD chemistry can significantly affect the resulting interfacial electronic behavior presenting an additional parameter for understanding and controlling interfacial electronic properties at semiconductor-dielectric interfaces.

  9. Chemistry of glass-ceramic to metal bonding for header applications: III. Treatment of Inconel 718 to eliminate hot cracking during laser welding

    SciTech Connect

    Moddeman, W.E.; Jones, W.H.; Koeller, T.L.; Craven, S.M.; Kramer, D.P.

    1987-04-24

    A study was conducted to determine the weldability of Inconel 718 shells. Two pieces of Inconel 718 were welded together with a Hastelloy B-2 filler. The Inconel surface condition was varied by heat-treating and by using several different cleaning processes. The surface chemistry following each modification was determined by Auger spectroscopy. Each conditioned Inconel hollow cylinder (shell) was also checked for pulsed laser weldability by looking for hot cracking. Abraded and solvent-cleaned Inconel shells were found to have thin surface oxides and were also found to be weldable. Heat-treated shells were shown to have a thick complex oxide layer consisting primarily of chromium, titanium, aluminum, and niobium, and were not found to be weldable. Variations of an ''oxide removal'' treatment were used and found to be ineffective in removing all of the heat-treated surface oxides. The predominant oxide left after the various removal treatments was a thick aluminum oxide laced with alkali, alkaline earth and nickel oxides, sulfides (or sulfates), and/or chlorides. Inconel shells after being treated by these oxide removal steps and variations were also found not be be laser weldable. This oxide was finally removed by electropolishing, and the resulting surface was found to be crack-free after welding. Auger analysis of fractured surfaces in hot-cracked regions revealed that the surfaces consisted of an oxide similar to that left after the removal steps, but without the aluminum oxide. Thus, it was concluded that hot cracking in heat-treated, oxide-removed Inconel 718 is due to one or all of the following: alkali, alkaline earth and nickel oxides, sulfides (or sulfates), and/or chlorides that accumulate in the cracked area.

  10. Calculation of the relative chemical stabilities of proteins as a function of temperature and redox chemistry in a hot spring.

    PubMed

    Dick, Jeffrey M; Shock, Everett L

    2011-01-01

    Uncovering the chemical and physical links between natural environments and microbial communities is becoming increasingly amenable owing to geochemical observations and metagenomic sequencing. At the hot spring known as Bison Pool in Yellowstone National Park, the cooling of the water in the outflow channel is associated with an increase in oxidation potential estimated from multiple field-based measurements. Representative groups of proteins whose sequences were derived from metagenomic data also exhibit an increase in average oxidation state of carbon in the protein molecules with distance from the hot-spring source. The energetic requirements of reactions to form selected proteins used in the model were computed using amino-acid group additivity for the standard molal thermodynamic properties of the proteins, and the relative chemical stabilities of the proteins were investigated by varying temperature, pH and oxidation state, expressed as activity of dissolved hydrogen. The relative stabilities of the proteins were found to track the locations of the sampling sites when the calculations included a function for hydrogen activity that increases with temperature and is higher, or more reducing, than values consistent with measurements of dissolved oxygen, sulfide and oxidation-reduction potential in the field. These findings imply that spatial patterns in the amino acid compositions of proteins can be linked, through energetics of overall chemical reactions representing the formation of the proteins, to the environmental conditions at this hot spring, even if microbial cells maintain considerably different internal conditions. Further applications of the thermodynamic calculations are possible for other natural microbial ecosystems.

  11. A quantum chemistry study of the Cl atom reaction with formaldehyde.

    PubMed

    Gruber-Stadler, Margret; Mühlhäuser, Max; Sellevåg, Stig R; Nielsen, Claus J

    2008-01-10

    The elementary vapor-phase reaction between Cl atoms and HCHO has been studied by ab initio methods. Calculations at the MP2, MP3, MP4(SDTQ), CCSD, CCSD(T), and MRD-CI levels of theory show that the reaction is characterized by a low electronic barrier; excluding the effects of spin-orbit splitting in Cl, our best estimate at the MRD-CI/aug-cc-pVTZ//RHF-RCCSD(T)/aug-cc-pVTZ level of theory predicts a Born-Oppenheimer barrier height of 0.7 kJ mol-1. The energies of the lowest six electronic states as resulting from MRD-CI calculations are presented at discrete points along the reaction path, and two avoided crossings are found in the transition state region. The spin-orbit splitting in Cl is also calculated along the reaction path; it is not negligible in the transition state region and is found to increase the barrier by only 1.4 kJ mol-1 at the RCCSD(T)/aug-cc-pVTZ transition state geometry. The minimum energy path of the reaction connects an energetically weakly stabilized adduct on the flat potential surface on the reactant side and an energetically strongly stabilized postreaction adduct. The reaction rate coefficient and the kinetic isotope effects were calculated using improved canonical variational theory with small curvature tunneling (ICVT/SCT), and the results were compared to experimental data. The experimental reaction rate coefficient is reproduced within its uncertainty limits by variational transition state theory with interpolated single-point energy corrections (ISPE) at the MP4(SDTQ) level of theory and by conventional transition state theory with interpolated optimized energies (IOE) at the MRD-CI//RCCSD(T) level of theory and interpolated optimized geometries at the RCCSD(T) level of theory on an MP2/aug-cc-pVTZ potential energy surface when employing scaled vibrational frequencies.

  12. Microscale Chemistry and Green Chemistry: Complementary Pedagogies

    NASA Astrophysics Data System (ADS)

    Singh, Mono M.; Szafran, Zvi; Pike, R. M.

    1999-12-01

    This paper describes the complementary nature of microscale chemistry and green chemistry. Green chemistry emphasizes the concepts of atom economy, source reduction, pathway modification, solvent substitution, and pollution prevention as means of improving the environmental impact of industrial chemistry. Microscale chemistry serves as a tool for incorporating green chemistry ideas across the curriculum in educational institutions. Examples are drawn from microscale laboratory experiments to illustrate the pedagogic connection between the two areas.

  13. The effects of solution chemistry on the sticking efficiencies of viable Enterococcus faecalis: An atomic force microscopy and modeling study

    NASA Astrophysics Data System (ADS)

    Cail, Tracy L.; Hochella, Michael F.

    2005-06-01

    Atomic force microscopy (AFM) and Derjaguin-Landau-Verwey-Overbeek (DLVO) theory in combination with the interaction force boundary layer (IFBL) model have been used to empirically and theoretically calculate sticking efficiencies (α) of Enterococcus faecalis cells against a silica glass surface. Sticking efficiencies were calculated in solutions of varying pH and ionic strength and related to maximum distances of transport through a hypothetical soil block using colloid filtration theory. AFM measurements show that the repulsive and attractive forces between E. faecalis cells and a glass surface are a function of ionic strength but are less sensitive to changes in solution pH. Zeta (ζ)-potential measurements of the cells and glass surfaces correlate with these trends. Calculated DLVO energy profiles predict much greater sensitivity to changing solution chemistry. Sticking efficiencies derived from AFM measurements range from 9.6 × 10 -17 to 1 in solutions of low ionic strength (IS) and from 2.6 × 10 -33 to 1 at higher IS. Corresponding α values determined from DLVO theory are essentially zero in all tested solutions. Sticking efficiencies calculated in this study are smaller than values determined from column and field studies in similar systems; however, α derived from AFM data and the IFBL model more closely represent field data than do values calculated from DLVO energy values. A comparison with different methods of calculating α suggests that reversible adhesion may be significant in column-scale transport studies.

  14. Mercury chemistry in the MBL: Modeling results including Hg + halogen atom reaction rate constants

    NASA Astrophysics Data System (ADS)

    Hedgecock, I. M.; Pirrone, N.

    2003-04-01

    The inclusion, of recently published kinetic data for the reactions between gas phase elemental Hg and halogen atoms and molecules, in a photochemical box model including aerosols of the Marine Boundary Layer (MBL), suggests that the cycling of Hg over the world's oceans may be much more dynamic than was once thought, as a direct result of halogen activation from marine aerosols. The rate of gas phase oxidation of Hg(0) in the model leads to high concentrations of gas phase oxidised Hg (Hg(II)), which is deposited to the sea surface either directly from the gas phase or indirectly via scavenging by sea salt and non-sea-salt sulphate aerosol particles and subsequent deposition. The model base run predicts Hg(II) concentrations higher than those measured in the marine atmosphere, and a lifetime for Hg(0) of a matter of days, rather than months as has been generally assumed. In light of previous measurements and the known stability of the hemispherical background concentration of Hg(0) the influence of liquid water content (the number of deliquescent aerosol droplets), cloud optical depth at the top of the boundary layer, and the Henry's Law constants for HgCl2 and HgBr2 have been investigated. In order to maintain a stable background concentration of Hg(0) a source strength (for emission from the sea, or entrainment from the free troposphere) of at least 15 ng m-2 hr-1 is required, which seems most unlikely considering results from flux chamber experiments. The model therefore either overestimates the rate of gas phase oxidation or lacks a fundamental reduction process. The evidence from studies of mercury depletion events in the Arctic troposphere lend support to the fast reaction between Hg(0) and Br containing radicals which have been included in the model, it is necessary therefore to investigate homogeneous and heterogeneous mechanisms for the reduction of Hg(II) to Hg(0) in order to explain the measured Hg(II) concentrations in the MBL and the stable

  15. New chemistry for the growth of first-row transition metal films by atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Klesko, Joseph Peter

    redox non-innocent nature of a series of recently-reported 1,4-di-tert-butyl-1,3-diazabutadienyl complexes. Other metal complexes using the same ligand system are subsequently evaluated for use as ALD precursors. Finally, a novel approach is described for the stoichiometric control of first-row transition metal manganese and cobalt borate films, whereby the film composition is governed by the elements present in a single precursor. Computational techniques such as density functional theory (DFT) using nucleus-independent chemical shift (NICS) are used to determine the electronic structure and predict the relative reducing power of organic coreagents. Potential ALD precursors are analyzed by 1H and 13C NMR, IR, thermogravimetric and differential thermal analyses (TGA/DTA), melting point and solid state decomposition measurements, magnetic susceptibility measurements, preparative sublimation studies, and solution-screening reactions. Deposition parameters are optimized for successful ALD processes. The composition and surface morphology of the resultant films are studied by scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), auger electron spectroscopy (AES), X-ray diffractometry (XRD), time-of-flight elastic recoil detection analysis (TOF-ERDA), ultraviolet-visible spectroscopy (UV-Vis), and four-point probe resistivity measurements.

  16. A complete basis set model chemistry. V. Extensions to six or more heavy atoms

    NASA Astrophysics Data System (ADS)

    Ochterski, Joseph W.; Petersson, G. A.; Montgomery, J. A., Jr.

    1996-02-01

    The major source of error in most ab initio calculations of molecular energies is the truncation of the one-electron basis set. Extrapolation to the complete basis set second-order (CBS2) limit using the N-1 asymptotic convergence of N-configuration pair natural orbital (PNO) expansions can be combined with the use of relatively small basis sets for the higher-order (i.e., MP3, MP4, and QCI) correlation energy to develop cost effective computational models. Following this strategy, three new computational models denoted CBS-4, CBS-q, and CBS-Q, are introduced. The mean absolute deviations (MAD) from experiment for the 125 energies of the G2 test set are 2.0, 1.7, and 1.0 kcal/mol, respectively. These results compare favorably with the MAD for the more costly G2(MP2), G2, and CBS-QCI/APNO models (1.6, 1.2, and 0.5 kcal/mol, respectively). The error distributions over the G2 test set are indistinguishable from Gaussian distribution functions for all six models, indicating that the rms errors can be interpreted in the same way that experimental uncertainties are used to assess reliability. However, a broader range of examples reveals special difficulties presented by spin contamination, high molecular symmetry, and localization problems in molecules with multiple lone pairs on the same atom. These characteristics can occasionally result in errors several times the size expected from the Gaussian distributions. Each of the CBS models has a range of molecular size for which it is the most accurate computational model currently available. The largest calculations reported for these models include: The CBS-4 heat of formation of tetranitrohydrazine (91.5±5 kcal/mol), the CBS-4 and CBS-q isomerization energies for the conversion of azulene to naphthalene (ΔHcalc=-35.2±1.0 kcal/mol, ΔHexp=-35.3±2.2 kcal/mol), and the CBS-Q heat of formation of SF6 (ΔHcalc=-286.6±1.3 kcal/mol, ΔHexp=-288.3±0.2 kcal/mol). The CBS-Q value for the dissociation energy of a C-H bond in

  17. Quantitative Determination of Density of Ground State Atomic Oxygen from Both TALIF and Emission Spectroscopy in Hot Air Plasma Generated by Microwave Resonant Cavity

    NASA Astrophysics Data System (ADS)

    Marchal, F.; Yousfi, M.; Merbahi, N.; Wattieaux, G.; Piquemal, A.

    2016-03-01

    Two experimental techniques have been used to quantify the atomic oxygen density in the case of hot air plasma generated by a microwave (MW) resonant cavity. The latter operates at a frequency of 2.45 GHz inside a cell of gas conditioning at a pressure of 600 mbar, an injected air flow of 12 L/min and an input MW power of 1 kW. The first technique is based on the standard two photon absorption laser induced fluorescence (TALIF) using xenon for calibration but applied for the first time in the present post discharge hot air plasma column having a temperature of about 4500 K near the axis of the nozzle. The second diagnostic technique is an actinometry method based on optical emission spectroscopy (OES). In this case, we compared the spectra intensities of a specific atomic oxygen line (844 nm) and the closest wavelength xenon line (823 nm). The two lines need to be collected under absolutely the same spectroscopic parameters. The xenon emission is due to the addition of a small proportion of xenon (1% Xe) of this chemically inert gas inside the air while a further small quantity of H2 (2%) is also added in the mixture in order to collect OH(A-X) and NH(A-X) spectra without noise. The latter molecular spectra are required to estimate gas and excitation temperatures. Optical emission spectroscopy measurements, at for instance the position z=12 mm on the axis plasma column that leads to a gas measured temperature equal to 3500 K, an excitation temperature of about 9500 K and an atomic oxygen density 2.09×1017±0.2×1017 cm-3. This is in very good agreement with the TALIF measurement, which is equal to 2.0×1017 cm-3.

  18. Chemistry of Cu(acac){sub 2} on Ni(110) and Cu(110) surfaces: Implications for atomic layer deposition processes

    SciTech Connect

    Ma Qiang; Zaera, Francisco

    2013-01-15

    The thermal chemistry of copper(II)acetylacetonate, Cu(acac){sub 2}, on Ni(110) and Cu(110) single-crystal surfaces was probed under vacuum by using x-ray photoelectron spectroscopy (XPS) and temperature programmed desorption (TPD). Some data for acetylacetone (Hacac, CH{sub 3}COCH{sub 2}COCH{sub 3}) adsorbed on Ni(110) are also reported as reference. Chemical transformations were identified in several steps covering a temperature range from 150 K to at least 630 K. The desorption of Hacac and a 3-oxobutanal (CH{sub 3}COCH{sub 2}CHO) byproduct was observed first at 150 and 180 K on Ni(110) and at 160 and 185 K on Cu(110), respectively. Partial loss of the acetylacetonate (acac) ligands and a likely change in adsorption geometry are seen next, with the possible production of HCu(acac), which desorbs at 200 and 235 K from the nickel and copper surfaces, respectively. Molecular Cu(acac){sub 2} desorption is observed on both surfaces at approximately 300 K, probably from recombination of Cu(acac) and acac surface species. The remaining copper atoms on the surface lose their remaining acac ligands to the substrate and become reduced directly to metallic copper. At the same time, the organic ligands follow a series of subsequent surface reactions, probably involving several C-C bond-scissions, to produce other fragments, additional Hacac and HCu(acac) in the gas phase in the case of the copper surface, and acetone on nickel. A significant amount of acac must nevertheless survive on the surface to high temperatures, because Hacac peaks are seen in the TPD at about 515 and 590 K and the C 1s XPS split associated with acac is seen up to close to 500 K. In terms of atomic layer deposition processes, this suggests that cycles could be design to run at such temperatures as long as an effective hydrogenation agent is used as the second reactant to remove the surface acac as Hacac. Only a small fraction of carbon is left behind on Ni after heating to 800 K, whereas more carbon

  19. Comparison of tungsten films grown by CVD and hot-wire assisted atomic layer deposition in a cold-wall reactor

    SciTech Connect

    Yang, Mengdi Aarnink, Antonius A. I.; Kovalgin, Alexey Y.; Gravesteijn, Dirk J.; Wolters, Rob A. M.; Schmitz, Jurriaan

    2016-01-15

    In this work, the authors developed hot-wire assisted atomic layer deposition (HWALD) to deposit tungsten (W) with a tungsten filament heated up to 1700–2000 °C. Atomic hydrogen (at-H) was generated by dissociation of molecular hydrogen (H{sub 2}), which reacted with WF{sub 6} at the substrate to deposit W. The growth behavior was monitored in real time by an in situ spectroscopic ellipsometer. In this work, the authors compare samples with tungsten grown by either HWALD or chemical vapor deposition (CVD) in terms of growth kinetics and properties. For CVD, the samples were made in a mixture of WF{sub 6} and molecular or atomic hydrogen. Resistivity of the WF{sub 6}-H{sub 2} CVD layers was 20 μΩ·cm, whereas for the WF{sub 6}-at-H-CVD layers, it was 28 μΩ·cm. Interestingly, the resistivity was as high as 100 μΩ·cm for the HWALD films, although the tungsten films were 99% pure according to x-ray photoelectron spectroscopy. X-ray diffraction reveals that the HWALD W was crystallized as β-W, whereas both CVD films were in the α-W phase.

  20. Theoretical investigations of the γ- gauche effect on the 13C chemical shifts produced by oxygen atoms at the γ position by quantum chemistry calculations

    NASA Astrophysics Data System (ADS)

    Suzuki, Shinji; Horii, Fumitaka; Kurosu, Hiromichi

    2009-02-01

    The γ- gauche effect on 13C chemical shifts that is produced by the O atoms located at the γ positions has been evaluated by quantum chemistry calculations based on the GAIO-CHF procedure. The γ- gauche effects produced by the O and Cl atoms in n-propanol and n-propyl chloride are found to be, respectively, +1.4 and -0.7 ppm, whereas that due to the C atom in n-butane is -3.0 ppm in good agreement of the values previously calculated. The apparent cause of such a difference in the γ- gauche effect is mainly relatively higher shielding of the CH 3 carbon in the trans conformation for the n-propanol and n-propyl chloride. Extending the n-propanol chain at both ends causes no significant change in the γ- gauche effect produced by the O atom. In 2-butanol and 2-methyl-2-butanol as examples of secondarily and tertiarily substituted compounds, the γ- gauche effects produced by the γ-OH groups are estimated to be -7 to -9 ppm. In addition, the γ- gauche effect due to the C atom is found to increase in n-butane, secondary, and tertiary butanols in this order. The γ- gauche effect produced by the O atom in hydroxyethylcyclohexane is as negligibly small as -0.7 ppm, whereas that produced by the C atom in ethylcyclohexane is about -5 ppm. These results suggest that the γ- gauche effect, including downfield shift, produced by the O atom in a compound greatly depends on its chemical structure, whereas upfield shifts of -3 to -7 ppm are induced in all examined compounds as the γ- gauche effect due to the C atom.

  1. Quantitative spectroscopy of hot stars: accurate atomic data applied on a large scale as driver of recent breakthroughs

    NASA Astrophysics Data System (ADS)

    Przybilla, N.; Schaffenroth, V.; Nieva, M. F.; Butler, K.

    2016-10-01

    OB-type stars present hotbeds for non-LTE physics because of their strong radiation fields that drive the atmospheric plasma out of local thermodynamic equilibrium. We report on recent breakthroughs in the quantitative analysis of the optical and UV-spectra of OB-type stars that were facilitated by application of accurate and precise atomic data on a large scale. An astrophysicist's dream has come true, by bringing observed and model spectra into close match over wide parts of the observed wavelength ranges. This allows tight observational constraints to be derived from OB-type stars for a wide range of applications in astrophysics. However, despite the progress made, many details of the modelling may be improved further. We discuss atomic data needs in terms of laboratory measurements and also ab-initio calculations. Particular emphasis is given to quantitative spectroscopy in the near-IR, which will be the focus in the era of the upcoming extremely large telescopes.

  2. Single atom hot-spots at Au-Pd nanoalloys for electrocatalytic H2O2 production.

    PubMed

    Jirkovský, Jakub S; Panas, Itai; Ahlberg, Elisabet; Halasa, Matej; Romani, Simon; Schiffrin, David J

    2011-12-07

    A novel strategy to direct the oxygen reduction reaction to preferentially produce H(2)O(2) is formulated and evaluated. The approach combines the inertness of Au nanoparticles toward oxidation, with the improved O(2) sticking probability of isolated transition metal "guest" atoms embedded in the Au "host". DFT modeling was employed to screen for the best alloy candidates. Modeling indicates that isolated alloying atoms of Pd, Pt, or Rh placed within the Au surface should enhance the H(2)O(2) production relative to pure Au. Consequently, Au(1-x)Pd(x) nanoalloys with variable Pd content supported on Vulcan XC-72 were prepared to investigate the predicted selectivity toward H(2)O(2) production for Au alloyed with Pd. It is demonstrated that increasing the Pd concentration to 8% leads to an increase of the electrocatalytic H(2)O(2) production selectivity up to nearly 95%, when the nanoparticles are placed in an environment compatible with that of a proton exchange membrane. Further increase of Pd content leads to a drop in H(2)O(2) selectivity, to below 10% for x = 0.5. It is proposed that the enhancement in H(2)O(2) selectivity is caused by the presence of individual surface Pd atoms surrounded by gold, whereas surface ensembles of contiguous Pd atoms support H(2)O formation. The results are discussed in the context of exergonic electrocatalytic H(2)O(2) synthesis in Polymer Electrolyte Fuel Cells for the simultaneous cogeneration of chemicals and electricity, the latter a credit to production costs.

  3. Studies on Microstructure and Thermoelectric Properties of p-Type Bi-Sb-Te Based Alloys by Gas Atomization and Hot Extrusion Processes

    NASA Astrophysics Data System (ADS)

    Park, Ki-Chan; Madavali, Babu; Kim, Eun-Bin; Koo, Kyung-Wan; Hong, Soon-Jik

    2016-10-01

    p-Type Bi2Te3 + 75% Sb2Te3 based thermoelectric materials were fabricated via gas atomization and the hot extrusion process. The gas atomized powder showed a clean surface with a spherical shape, and expanded in a wide particle size distribution (average particle size 50 μm). The phase of the fabricated extruded and R-extruded bars was identified using x-ray diffraction. The relative densities of both the extruded and R-extruded samples were measured by Archimedes principle with ˜98% relative density. The R-extruded bar exhibited finer grain microstructure than that of single extrusion process, which was attributed to a recrystallization mechanism during the fabrication. The R-extruded sample showed improved Vickers hardness compared to the extruded sample due to its fine grain microstructure. The electrical conductivity improved for the extruded sample whereas the Seebeck coefficient decreases due to its high carrier concentration. The peak power factor, ˜4.26 × 10-3 w/mK2 was obtained for the single extrusion sample, which is higher than the R-extrusion sample owing to its high electrical properties.

  4. The role of NaCl in flame chemistry, in the deposition process, and in its reactions with protective oxides as related to hot corrosion

    NASA Technical Reports Server (NTRS)

    Kohl, F. J.; Stearns, C. A.

    1979-01-01

    Sodium chloride is believed to be the primary source of turbine engine contamination that contributes to hot corrosion. The behavior of NaCl-containing aerosols ingested with turbine intake air is very complex; some of the NaCl may vaporize during combustion while some may remain as particulates. The NaCl can lead to Na2SO4 formation by several possible routes or it can contribute to corrosion directly. Hydrogen or oxygen atom reaction with NaCl(c) was shown to result in the release of Na(g). Gaseous NaCl in flames can be partially converted to gaseous Na2SO4 by homogeneous reactions. The remaining gaseous NaCl and other Na-containing molecules can act as sodium carriers for condensate deposition of Na2SO4 on cool surfaces. A frozen boundary layer theory was developed to predict the rates of deposition. The condensed phase NaCl can be converted directly to condensed Na2SO4 by reaction with sulfur oxides and O2. Reaction of gaseous NaCl with Cr2O3 results in the vapor phase transport of chromium by the formation of complex Cr-containing gaseous molecules. Similar gaseous complexes are formed with molybdenum. The presence of gaseous NaCl was shown to affect the oxidation kinetics of Ni-Cr alloys. It also causes changes in the surface morphology of Al2O3 scales formed on Al-containing alloys.

  5. Understanding the Atomic-Level Chemistry and Structure of Oxide Deposits on Fuel Rods in Light Water Nuclear Reactors Using First Principles Methods

    NASA Astrophysics Data System (ADS)

    Rak, Zs.; O'Brien, C. J.; Brenner, D. W.; Andersson, D. A.; Stanek, C. R.

    2016-11-01

    The results of recent studies are discussed in which first principles calculations at the atomic level have been used to expand the thermodynamic database for science-based predictive modeling of the chemistry, composition and structure of unwanted oxides that deposit on the fuel rods in pressurized light water nuclear reactors. Issues discussed include the origin of the particles that make up deposits, the structure and properties of the deposits, and the forms by which boron uptake into the deposits can occur. These first principles approaches have implications for other research areas, such as hydrothermal synthesis and the stability and corrosion resistance of other materials under other extreme conditions.

  6. College Chemistry Students' Understanding of Potential Energy in the Context of Atomic-Molecular Interactions

    ERIC Educational Resources Information Center

    Becker, Nicole M.; Cooper, Melanie M.

    2014-01-01

    Understanding the energy changes that occur as atoms and molecules interact forms the foundation for understanding the macroscopic energy changes that accompany chemical processes. In order to identify ways to scaffold students' understanding of the connections between atomic-molecular and macroscopic energy perspectives, we conducted a…

  7. Kinetics of Fast Atoms in the Terrestrial Atmosphere

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili A.; Dalgarno, A.; Mellott, Mary (Technical Monitor)

    2002-01-01

    This report summarizes our investigations performed under NASA Grant NAG5-8058. The three-year research supported by the Geospace Sciences SR&T program (Ionospheric, Thermospheric, and Mesospheric Physics) has been designed to investigate fluxes of energetic oxygen and nitrogen atoms in the terrestrial thermosphere. Fast atoms are produced due to absorption of the solar radiation and due to coupling between the ionosphere and the neutral thermospheric gas. We have investigated the impact of hot oxygen and nitrogen atoms on the thermal balance, chemistry and radiation properties of the terrestrial thermosphere. Our calculations have been focused on the accurate quantitative description of the thermalization of O and N energetic atoms in collisions with atom and molecules of the ambient neutral gas. Upward fluxes of oxygen and nitrogen atoms, the rate of atmospheric heating by hot oxygen atoms, and the energy input into translational and rotational-vibrational degrees of atmospheric molecules have been evaluated. Altitude profiles of hot oxygen and nitrogen atoms have been analyzed and compared with available observational data. Energetic oxygen atoms in the terrestrial atmosphere have been investigated for decades, but insufficient information on the kinetics of fast atmospheric atoms has been a main obstacle for the interpretation of observational data and modeling of the hot geocorona. The recent development of accurate computational methods of the collisional kinetics is seen as an important step in the quantitative description of hot atoms in the thermosphere. Modeling of relaxation processes in the terrestrial atmosphere has incorporated data of recent observations, and theoretical predictions have been tested by new laboratory measurements.

  8. Theoretical Modeling of Interstellar Chemistry

    NASA Technical Reports Server (NTRS)

    Charnley, Steven

    2009-01-01

    The chemistry of complex interstellar organic molecules will be described. Gas phase processes that may build large carbon-chain species in cold molecular clouds will be summarized. Catalytic reactions on grain surfaces can lead to a large variety of organic species, and models of molecule formation by atom additions to multiply-bonded molecules will be presented. The subsequent desorption of these mixed molecular ices can initiate a distinctive organic chemistry in hot molecular cores. The general ion-molecule pathways leading to even larger organics will be outlined. The predictions of this theory will be compared with observations to show how possible organic formation pathways in the interstellar medium may be constrained. In particular, the success of the theory in explaining trends in the known interstellar organics, in predicting recently-detected interstellar molecules, and, just as importantly, non-detections, will be discussed.

  9. Three-photon resonance ionization of atomic Mn in a hot-cavity laser ion source using Ti:sapphire lasers

    DOE PAGES

    Liu, Y.; Gottwald, T.; Mattolat, C.; ...

    2015-05-08

    We have demonstrated three-photon resonance ionization of atomic manganese (Mn) in a hot-cavity ion source using Ti: sapphire lasers. Three-step ionization schemes employing different intermediate levels and Rydberg or autoionizing (AI) states in the final ionization step are established. Strong AI resonances were observed via the 3d54s5s f6S5/2 level at 49 415.35 cm-1, while Rydberg transitions were reached from the 3d54s4d e 6D9/2,7/2,5/2) levels at around 47 210 cm-1. Analyses of the strong Rydberg transitions associated with the 3d54s4d e 6D7/2 lower level indicate that they belong to the dipole-allowed 4d → nf6F°9/2,7/2,5/2 series converging to the 3d54s 7S3 groundmore » state of Mn II. From this series, an ionization potential of 59 959.56 ± 0.01 cm-1 is obtained for Mn. At high ion source temperatures the semi-forbidden 4d → nf8F°9/2,7/2,5/2 series was also observed. The overall ionization efficiency for Mn has been measured to be about 0.9% when using the strong AI transition in the third excitation step and 0.3% when employing an intense Rydberg transition. Experimental data indicate that the ionization efficiency was limited by the interaction of Mn atoms with ion source materials at high temperatures.« less

  10. Three-photon resonance ionization of atomic Mn in a hot-cavity laser ion source using Ti:sapphire lasers

    SciTech Connect

    Liu, Y.; Gottwald, T.; Mattolat, C.; Wendt, K.

    2015-05-08

    We have demonstrated three-photon resonance ionization of atomic manganese (Mn) in a hot-cavity ion source using Ti: sapphire lasers. Three-step ionization schemes employing different intermediate levels and Rydberg or autoionizing (AI) states in the final ionization step are established. Strong AI resonances were observed via the 3d54s5s f6S5/2 level at 49 415.35 cm-1, while Rydberg transitions were reached from the 3d54s4d e 6D9/2,7/2,5/2) levels at around 47 210 cm-1. Analyses of the strong Rydberg transitions associated with the 3d54s4d e 6D7/2 lower level indicate that they belong to the dipole-allowed 4d → nf69/2,7/2,5/2 series converging to the 3d54s 7S3 ground state of Mn II. From this series, an ionization potential of 59 959.56 ± 0.01 cm-1 is obtained for Mn. At high ion source temperatures the semi-forbidden 4d → nf8F°9/2,7/2,5/2 series was also observed. The overall ionization efficiency for Mn has been measured to be about 0.9% when using the strong AI transition in the third excitation step and 0.3% when employing an intense Rydberg transition. Experimental data indicate that the ionization efficiency was limited by the interaction of Mn atoms with ion source materials at high temperatures.

  11. Chlorine atom-initiated low-temperature oxidation of prenol and isoprenol: The effect of C=C double bonds on the peroxy radical chemistry in alcohol oxidation

    DOE PAGES

    Welz, Oliver; Savee, John D.; Osborn, David L.; ...

    2014-07-04

    The chlorine atom-initiated oxidation of two unsaturated primary C5 alcohols, prenol (3-methyl-2-buten-1-ol, (CH3)2CCHCH2OH) and isoprenol (3-methyl-3-buten-1-ol, CH2C(CH3)CH2CH2OH), is studied at 550 K and low pressure (8 Torr). The time- and isomer-resolved formation of products is probed with multiplexed photoionization mass spectrometry (MPIMS) using tunable vacuum ultraviolet ionizing synchrotron radiation. The peroxy radical chemistry of the unsaturated alcohols appears much less rich than that of saturated C4 and C5 alcohols. The main products observed are the corresponding unsaturated aldehydes – prenal (3-methyl-2-butenal) from prenol oxidation and isoprenal (3-methyl-3-butenal) from isoprenol oxidation. No significant products arising from QOOH chemistry are observed. Thesemore » results can be qualitatively explained by the formation of resonance stabilized allylic radicals via H-abstraction in the Cl + prenol and Cl + isoprenol initiation reactions. The loss of resonance stabilization upon O2 addition causes the energies of the intermediate wells, saddle points, and products to increase relative to the energy of the initial radicals and O2. These energetic shifts make most product channels observed in the peroxy radical chemistry of saturated alcohols inaccessible for these unsaturated alcohols. The experimental findings are underpinned by quantum-chemical calculations for stationary points on the potential energy surfaces for the reactions of the initial radicals with O2. Under our conditions, the dominant channels in prenol and isoprenol oxidation are the chain-terminating HO2-forming channels arising from radicals, in which the unpaired electron and the –OH group are on the same carbon atom, with stable prenal and isoprenal co-products, respectively. These results suggest that the presence of C=C double bonds in alcohols will reduce low-temperature reactivity during autoignition.« less

  12. Interfacial chemistry of poly(methyl methacrylate) arising from exposure to vacuum-ultraviolet light and atomic oxygen.

    PubMed

    Yuan, Hanqiu; Killelea, Daniel R; Tepavcevic, Sanja; Kelber, Scott I; Sibener, S J

    2011-04-28

    We herein report on the chemical and physical changes that occur in thin films of poly(methyl methacrylate), PMMA, induced by exposure to high-energy vacuum ultraviolet radiation and a supersonic beam of neutral, ground electronic state O((3)P) atomic oxygen. A combination of in situ quartz crystal microbalance and in situ Fourier-transform infrared reflection-absorption spectroscopy were used to determine the photochemical reaction kinetics and mechanisms during irradiation. The surface morphological changes were measured with atomic force microscopy. The results showed there was no enhancement in the mass loss rate during simultaneous exposure of vacuum ultraviolet (VUV) radiation and atomic oxygen. Rather, the rate of mass loss was impeded when the polymer film was exposed to both reagents. This study elucidates the kinetics of photochemical and oxidative reaction for PMMA, and shows that the synergistic effect involving VUV irradiation and exposure to ground state atomic oxygen depends substantially on the relative fluxes of these reagents.

  13. Nobody Can See Atoms: Science Camps Highlighting Approaches for Making Chemistry Accessible to Blind and Visually Impaired Students

    ERIC Educational Resources Information Center

    Wedler, Henry B.; Boyes, Lee; Davis, Rebecca L.; Flynn, Dan; Franz, Annaliese; Hamann, Christian S.; Harrison, Jason G.; Lodewyk, Michael W.; Milinkevich, Kristin A.; Shaw, Jared T.; Tantillo, Dean J.; Wang, Selina C.

    2014-01-01

    Curricula for three chemistry camp experiences for blind and visually impaired (BVI) individuals that incorporated single- and multiday activities and experiments accessible to BVI students are described. Feedback on the camps from students, mentors, and instructors indicates that these events allowed BVI students, who in many cases have been…

  14. Experiences and Reflections about Teaching Atomic Structure in a Jigsaw Classroom in Lower Secondary School Chemistry Lessons

    ERIC Educational Resources Information Center

    Eilks, Ingo

    2005-01-01

    The study investigates the students opinions on learning in a jigsaw classroom and enquiring on what they think about jigsaw classroom having the potential to make chemistry learning more attractive and whether it can help them to improve their communicative and social skills. The study was carried out using a lesson design for teaching an…

  15. The Development of Dalton's Atomic Theory as a Case Study in the History of Science: Reflections for Educators in Chemistry

    ERIC Educational Resources Information Center

    Viana, Helio Elael Bonini; Porto, Paulo Alves

    2010-01-01

    The inclusion of the history of science in science curricula--and specially, in the curricula of science teachers--is a trend that has been followed in several countries. The reasons advanced for the study of the history of science are manifold. This paper presents a case study in the history of chemistry, on the early developments of John…

  16. Atom probe study of the carbon distribution in a hardened martensitic hot-work tool steel X38CrMoV5-1.

    PubMed

    Lerchbacher, Christoph; Zinner, Silvia; Leitner, Harald

    2012-07-01

    The microstructure of the hardened common hot-work tool steel X38CrMoV5-1 has been characterized by atom probe tomography with the focus on the carbon distribution. Samples quenched with technically relevant cooling parameters λ from 0.1 (30 K/s) to 12 (0.25 K/s) have been investigated. The parameter λ is an industrially commonly used exponential cooling parameter, representing the cooling time from 800 to 500 °C in seconds divided with hundred. In all samples pronounced carbon segregation to dislocations and cluster formation could be observed after quenching. Carbon enriched interlath films with peak carbon levels of 6-10 at.%, which have been identified to be retained austenite by TEM, show a thickness increase with increasing λ. Therefore, the fraction of total carbon staying in the austenite grows. This carbon is not available for the tempering induced precipitation of secondary carbides in the bulk. Through all samples no segregation of any substitutional elements takes place. Charpy impact testing and fracture surface analysis of the hardened samples reveal the cooling rate induced microstructural distinctions.

  17. Confectionary Chemistry.

    ERIC Educational Resources Information Center

    Levine, Elise Hilf

    1996-01-01

    Presents activities and demonstrations that enable teachers to use various types of confections as tactile experiences to spark chemistry students' interest and generate enthusiasm for learning. Presents uses of candy in teaching about atomic structure, spontaneous nuclear decay, chemical formulas, fractoluminescence, the effect of a molecular…

  18. Chemistry on Stamps.

    ERIC Educational Resources Information Center

    Schreck, James O.

    1986-01-01

    Suggests how postage stamps can be incorporated into chemistry teaching. Categories considered include emergence of chemistry as a science, metric system, atoms (and molecules and ions), stoichiometry, energy relationships in chemical systems, chemical bonding, nuclear chemistry, biochemistry, geochemistry, matter (gases, liquids, and solids),…

  19. How Many Atomic Layers of Zinc Are in a Galvanized Iron Coating? An Experiment for General Chemistry Laboratory

    ERIC Educational Resources Information Center

    Yang, Shui-Ping

    2007-01-01

    This article describes an experiment using a novel gasometric assembly to determine the thickness and number of atomic layers of zinc coating on galvanized iron substrates. Students solved this problem through three stages. In the first stage, students were encouraged to find a suitable acidic concentration through the guided-inquiry approach. In…

  20. Learning about Atoms, Molecules, and Chemical Bonds: A Case Study of Multiple-Model Use in Grade 11 Chemistry.

    ERIC Educational Resources Information Center

    Harrison, Allan G.; Treagust, David F.

    2000-01-01

    Reports in detail on a year-long case study of multiple-model use at grade 11. Suggests that students who socially negotiated the shared and unshared attributes of common analogical models for atoms, molecules, and chemical bonds used these models more consistently in their explanations. (Author/CCM)

  1. Presenting the Bohr Atom.

    ERIC Educational Resources Information Center

    Haendler, Blanca L.

    1982-01-01

    Discusses the importance of teaching the Bohr atom at both freshman and advanced levels. Focuses on the development of Bohr's ideas, derivation of the energies of the stationary states, and the Bohr atom in the chemistry curriculum. (SK)

  2. The Origin of Carbon-bearing Volatiles in Surprise Valley Hot Springs in the Great Basin: Carbon Isotope and Water Chemistry Characterizations

    NASA Technical Reports Server (NTRS)

    Fu, Qi; Socki, Richard A.; Niles, Paul B.; Romanek, Christopher; Datta, Saugata; Darnell, Mike; Bissada, Adry K.

    2013-01-01

    There are numerous hydrothermal fields within the Great Basin of North America, some of which have been exploited for geothermal resources. With methane and other carbon-bearing compounds being observed, in some cases with high concentrations, however, their origins and formation conditions remain unknown. Thus, studying hydrothermal springs in this area provides us an opportunity to expand our knowledge of subsurface (bio)chemical processes that generate organic compounds in hydrothermal systems, and aid in future development and exploration of potential energy resources as well. While isotope measurement has long been used for recognition of their origins, there are several secondary processes that may generate variations in isotopic compositions: oxidation, re-equilibration of methane and other alkanes with CO2, mixing with compounds of other sources, etc. Therefore, in addition to isotopic analysis, other evidence, including water chemistry and rock compositions, are necessary to identify volatile compounds of different sources. Surprise Valley Hot Springs (SVHS, 41 deg 32'N, 120 deg 5'W), located in a typical basin and range province valley in northeastern California, is a terrestrial hydrothermal spring system of the Great Basin. Previous geophysical studies indicated the presence of clay-rich volcanic and sedimentary rocks of Tertiary age beneath the lava flows in late Tertiary and Quaternary. Water and gas samples were collected for a variety of chemical and isotope composition analyses, including in-situ pH, alkalinity, conductivity, oxidation reduction potential (ORP), major and trace elements, and C and H isotope measurements. Fluids issuing from SVHS can be classified as Na-(Cl)-SO4 type, with the major cation and anion being Na+ and SO4(2-), respectively. Thermodynamic calculation using ORP and major element data indicated that sulfate is the most dominant sulfur species, which is consistent with anion analysis results. Aquifer temperatures at depth

  3. The Origin of Carbon-bearing Volatiles in Surprise Valley Hot Springs in the Great Basin: Carbon Isotope aud Water Chemistry Characterizations

    NASA Technical Reports Server (NTRS)

    Fu, Qi; Socki, Richard A.; Niles, Paul B.; Romanek, Christopher; Datta, Saugata; Darnell, Mike; Bissada, Adry K.

    2013-01-01

    There are numerous hydrothermal fields within the Great Basin of North America, some of which have been exploited for geothermal resources. With methane and other carbon-bearing compounds being observed, in some cases with high concentrations, however, their origins and formation conditions remain unknown. Thus, studying hydrothermal springs in this area provides us an opportunity to expand our knowledge of subsurface (bio)chemical processes that generate organic compounds in hydrothermal systems, and aid in future development and exploration of potential energy resources as well. While isotope measurement has long been used for recognition of their origins, there are several secondary processes that may generate variations in isotopic compositions: oxidation, re-equilibration of methane and other alkanes with CO2, mixing with compounds of other sources, etc. Therefore, in addition to isotopic analysis, other evidence, including water chemistry and rock compositions, are necessary to identify volatile compounds of different sources. Surprise Valley Hot Springs (SVHS, 41º32'N, 120º5'W), located in a typical basin and range province valley in northeastern California, is a terrestrial hydrothermal spring system of the Great Basin. Previous geophysical studies indicated the presence of clay-rich volcanic and sedimentary rocks of Tertiary age beneath the lava flows in late Tertiary and Quaternary. Water and gas samples were collected for a variety of chemical and isotope composition analyses, including in-situ pH, alkalinity, conductivity, oxidation reduction potential (ORP), major and trace elements, and C and H isotope measurements. Fluids issuing from SVHS can be classified as Na-(Cl)-SO4 type, with the major cation and anion being Na+ and SO4 2-, respectively. Thermodynamic calculation using ORP and major element data indicated that sulfate is the most dominant sulfur species, which is consistent with anion analysis results. Aquifer temperatures at depth estimated

  4. Oxygen-atom transfer chemistry and thermolytic properties of a di-tert-butylphosphate-ligated Mn4O4 cubane.

    PubMed

    Van Allsburg, Kurt M; Anzenberg, Eitan; Drisdell, Walter S; Yano, Junko; Tilley, T Don

    2015-03-16

    [Mn4O4{O2P(OtBu)2}6] (1), an Mn4O4 cubane complex combining the structural inspiration of the photosystem II oxygen-evolving complex with thermolytic precursor ligands, was synthesized and fully characterized. Core oxygen atoms within complex 1 are transferred upon reaction with an oxygen-atom acceptor (PEt3), to give the butterfly complex [Mn4O2{O2P(OtBu)2}6(OPEt3)2]. The cubane structure is restored by reaction of the latter complex with the O-atom donor PhIO. Complex 1 was investigated as a precursor to inorganic Mn metaphosphate/pyrophosphate materials, which were studied by X-ray absorption spectroscopy to determine the fate of the Mn4O4 unit. Under the conditions employed, thermolyses of 1 result in reduction of the manganese to Mn(II) species. Finally, the related butterfly complex [Mn4O2{O2P(pin)}6(bpy)2] (pin = pinacolate) is described.

  5. Deuterium chemistry of dense gas in the vicinity of low-mass and massive star-forming regions

    NASA Astrophysics Data System (ADS)

    Awad, Zainab; Viti, Serena; Bayet, Estelle; Caselli, Paola

    2014-09-01

    The standard interstellar ratio of deuterium to hydrogen (D/H) atoms is ˜1.5 × 10-5. However, the deuterium fractionation is in fact found to be enhanced, to different degrees, in cold, dark cores, hot cores around massive star-forming regions, lukewarm cores, and warm cores (hereafter hot corinos) around low-mass star-forming regions. In this paper, we investigate the overall differences in the deuterium chemistry between hot cores and hot corinos. We have modelled the chemistry of dense gas around low-mass and massive star-forming regions using a gas-grain chemical model. We investigate the influence of varying the core density, the depletion efficiency of gaseous species on to dust grains, the collapse mode and the final mass of the protostar on the chemical evolution of star-forming regions. We find that the deuterium chemistry is, in general, most sensitive to variations of the depletion efficiency on to grain surfaces, in agreement with observations. In addition, the results showed that the chemistry is more sensitive to changes in the final density of the collapsing core in hot cores than in hot corinos. Finally, we find that ratios of deuterated sulphur bearing species in dense gas around hot cores and corinos may be good evolutionary indicators in a similar way as their non-deuterated counterparts.

  6. Zen Hot Dog Molecules

    ERIC Educational Resources Information Center

    Ryan, Dennis

    2009-01-01

    Substituted cycloalkanes with one branch illustrating each topic in an instructional unit can serve as summaries or reviews in courses of organic chemistry. The hungry Zen master told the hot dog vendor to make him one with everything. You can do the same for your students.

  7. Zen Hot Dog Molecules

    NASA Astrophysics Data System (ADS)

    Ryan, Dennis

    2009-04-01

    Substituted cycloalkanes with one branch illustrating each topic in an instructional unit can serve as summaries or reviews in courses of organic chemistry. The hungry Zen master told the hot dog vendor to make him one with everything. You can do the same for your students.

  8. Chlorine atom-initiated low-temperature oxidation of prenol and isoprenol: The effect of C=C double bonds on the peroxy radical chemistry in alcohol oxidation

    SciTech Connect

    Welz, Oliver; Savee, John D.; Osborn, David L.; Taatjes, Craig A.

    2014-07-04

    The chlorine atom-initiated oxidation of two unsaturated primary C5 alcohols, prenol (3-methyl-2-buten-1-ol, (CH3)2CCHCH2OH) and isoprenol (3-methyl-3-buten-1-ol, CH2C(CH3)CH2CH2OH), is studied at 550 K and low pressure (8 Torr). The time- and isomer-resolved formation of products is probed with multiplexed photoionization mass spectrometry (MPIMS) using tunable vacuum ultraviolet ionizing synchrotron radiation. The peroxy radical chemistry of the unsaturated alcohols appears much less rich than that of saturated C4 and C5 alcohols. The main products observed are the corresponding unsaturated aldehydes – prenal (3-methyl-2-butenal) from prenol oxidation and isoprenal (3-methyl-3-butenal) from isoprenol oxidation. No significant products arising from QOOH chemistry are observed. These results can be qualitatively explained by the formation of resonance stabilized allylic radicals via H-abstraction in the Cl + prenol and Cl + isoprenol initiation reactions. The loss of resonance stabilization upon O2 addition causes the energies of the intermediate wells, saddle points, and products to increase relative to the energy of the initial radicals and O2. These energetic shifts make most product channels observed in the peroxy radical chemistry of saturated alcohols inaccessible for these unsaturated alcohols. The experimental findings are underpinned by quantum-chemical calculations for stationary points on the potential energy surfaces for the reactions of the initial radicals with O2. Under our conditions, the dominant channels in prenol and isoprenol oxidation are the chain-terminating HO2-forming channels arising from radicals, in which the unpaired electron and the –OH group are on the same carbon atom, with stable prenal and isoprenal co-products, respectively. These results suggest that the presence of C=C double bonds in alcohols will reduce

  9. Abstraction of D on Ag( 1 0 0 ) and Ag( 1 1 1 ) surfaces by gaseous H atoms . The role of electron-hole excitations in hot atom reactions and the transition to Eley-Rideal kinetics

    NASA Astrophysics Data System (ADS)

    Kolovos-Vellianitis, D.; Küppers, J.

    2004-01-01

    H and D were adsorbed on Ag(1 0 0) and Ag(1 1 1) surfaces and characterized by thermal desorption spectroscopy. On Ag(1 0 0) surfaces hydrogen desorption from surface sites at 150 K and subsurface sites around 110 K was observed. Similarly, desorption of deuterium desorption around 150 and 110 K indicated surface and subsurface bound D. On Ag(1 1 1) surfaces only adsorption related desorption near 160 K was monitored. Abstraction of adsorbed D by gaseous H on Ag(1 0 0) is affected by reconstruction of the surface and the HD kinetics exhibits a H fluence (coverage) dependant cross-section. On Ag(1 1 1) adsorbed D is abstracted by gaseous H with a HD kinetics strictly according to the Eley-Rideal phenomenology. These features are close analogues of those observed on Cu(1 0 0) and Cu(1 1 1) surfaces. A comparison of the abstraction kinetics on various transition metals suggests that sticking of hot atoms, the reacting species on the surface, is controlled by electron-hole excitations. By this effect, the HD kinetics in abstraction on noble d-metals like Cu and Ag with a small density of states at the Fermi level and a small probability for e-h excitation exhibit Eley-Rideal phenomenology. Due to the small Ag-D bond energy on Ag(1 1 1) the attraction between incoming H and adsorbed D causes an increase of the abstraction cross-section at low D coverage, as was recently predicted by theory and verified by experiments on graphite surfaces.

  10. Spatial atomic layer deposition: Performance of low temperature H{sub 2}O and O{sub 3} oxidant chemistry for flexible electronics encapsulation

    SciTech Connect

    Maydannik, Philipp S. Plyushch, Alexander; Sillanpää, Mika; Cameron, David C.

    2015-05-15

    Water and oxygen were compared as oxidizing agents for the Al{sub 2}O{sub 3} atomic layer deposition process using spatial atomic layer deposition reactor. The influence of the precursor dose on the deposition rate and refractive index, which was used as a proxy for film density, was measured as a function of residence time, defined as the time which the moving substrate spent within one precursor gas zone. The effect of temperature on the growth characteristics was also measured. The water-based process gave faster deposition rates and higher refractive indices but the ozone process allowed deposition to take place at lower temperatures while still maintaining good film quality. In general, processes based on both oxidation chemistries were able to produce excellent moisture barrier films with water vapor transmission rate levels of 10{sup −4} g/m{sup 2} day measured at 38 °C and 90% of relative humidity on polyethylene naphthalate substrates. However, the best result of <5 × 10{sup −5} was obtained at 100 °C process temperature with water as precursor.

  11. CHEMISTRY IN EVAPORATING ICES-UNEXPLORED TERRITORY

    SciTech Connect

    Cecchi-Pestellini, Cesare; Rawlings, Jonathan M. C.; Viti, Serena; Williams, David A. E-mail: jcr@star.ucl.ac.u E-mail: daw@star.ucl.ac.u

    2010-12-20

    We suggest that three-body chemistry may occur in warm high-density gas evaporating in transient co-desorption events on interstellar ices. Using a highly idealized computational model we explore the chemical conversion from simple species of the ice to more complex species containing several heavy atoms, as a function of density and of adopted three-body rate coefficients. We predict that there is a wide range of densities and rate coefficients in which a significant chemical conversion may occur. We discuss the implications of this idea for the astrochemistry of hot cores.

  12. Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and Its Precursors on Metal Surfaces

    SciTech Connect

    Flynn, George W.

    2015-02-16

    The objectives of this project were to reveal the mechanisms and reaction processes that solid carbon materials undergo when combining with gases such as oxygen, water vapor and hydrocarbons. This research was focused on fundamental chemical events taking place on single carbon sheets of graphene, a two-dimensional, polycyclic carbon material that possesses remarkable chemical and electronic properties. Ultimately, this work is related to the role of these materials in mediating the formation of polycyclic aromatic hydrocarbons (PAH’s), their reactions at interfaces, and the growth of soot particles. Our intent has been to contribute to a fundamental understanding of carbon chemistry and the mechanisms that control the formation of PAH’s, which eventually lead to the growth of undesirable particulates. We expect increased understanding of these basic chemical mechanisms to spur development of techniques for more efficient combustion of fossil fuels and to lead to a concomitant reduction in the production of undesirable solid carbon material.

  13. Surface Chemistry and Interface Evolution during the Atomic Layer Deposition of High-k Metal Oxides on InAs(100) and GaAs(100) Surfaces

    NASA Astrophysics Data System (ADS)

    Henegar, Alex J.

    Device scaling has been key for creating faster and more powerful electronic devices. Integral circuit components like the metal-oxide semiconductor field-effect transistor (MOSFET) now rely on material deposition techniques, like atomic layer deposition (ALD), that possess atomic-scale thickness precision. At the heart of the archetypal MOSFET is a SiO2/Si interface which can be formed to near perfection. However when the thickness of the SiO 2 layer is shrunk down to a few nanometers several complications arise like unacceptably high leakage current and power consumption. Replacing Si with III-V semiconductors and SiO2 with high-k dielectric materials is appealing but comes with its own set of challenges. While SiO2 is practically defect-free, the native oxides of III-Vs are poor dielectrics. In this dissertation, the surface chemistry and interface evolution during the ALD of high-k metal oxides on Si(100), GaAs(100) and InAs(100) was studied. In particular, the surface chemistry and crystallization of TiO2 films grown on Si(100) was investigated using transmission Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). Large, stable, and highly reactive anatase TiO2 grains were found to form during a post-deposition heat treatment after the ALD at 100 °C. The remainder of this work was focused on the evolution of the interfacial oxides during the deposition of TiO2 and Al2O3 on InAs(100) and GaAs(100) and during the deposition of Ta2O 5 on InAs(100). In summary the ALD precursor type, deposited film, and substrate had an influence in the evolution of the native oxides. Alkyl amine precursors fared better at removing the native oxides but the deposited films (TiO2 and Ta2O5) were susceptible to significant native oxide diffusion. The alkyl precursor used for the growth of Al 2O3 was relatively ineffective at removing the oxides but was

  14. Chemistry at corners and edges: Generation and adsorption of H atoms on the surface of MgO nanocubes

    SciTech Connect

    Sterrer, Martin; Berger, Thomas; Diwald, Oliver; Knoezinger, Erich; Sushko, Peter V.; Shluger, Alexander L.

    2005-08-08

    We used UV light to generate site-selective O{sup -} hole centers at three-coordinated corner oxygen sites on MgO nanocubes. These highly reactive O{sup -} radicals split H{sub 2} homolytically and, in the course of this reaction, become hydroxylated and produce hydrogen atoms. The hydrogen atoms adsorb predominantly at cube edges and dissociate into surface-trapped electrons and protons. We propose that the experimentally observed (H{sup +})(e{sup -}) centers are formed adjacent to the hydroxyl groups generated in the homolytic splitting process and can be defined as (H{sup +}){sub 3C}{center_dot}{center_dot}{center_dot}(e{sup -})(H{sup +}){sub NC} centers where 3C and NC refer to the coordination numbers of the corresponding hydroxylated oxygen sites. Our ab initio embedded cluster calculations reveal that the electronic properties of (H{sup +}){sub 3C}{center_dot}{center_dot}{center_dot}(e{sup -})(H{sup +}){sub 4C} centers situated along MgO nanocube edges are consistent with both the electron-paramagnetic-resonance signal parameters and the reported optical-absorption properties. The transformation of corner O{sup -} centers into the (H{sup +}){sub 3C}{center_dot}{center_dot}{center_dot}(e{sup -})(H{sup +}){sub NC}-type centers prevents their recombination with electronic surface centers and, hence, significantly alters the electronic structure of MgO nanocubes by introducing shallow electron traps.

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

    NASA Technical Reports Server (NTRS)

    Kharchenko, Vasili; Dalgarno, A.

    2005-01-01

    This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

  16. Nonaqueous sol-gel chemistry applied to atomic layer deposition: tuning of photonic band gap properties of silica opals.

    PubMed

    Marichy, Catherine; Dechézelles, Jean-Francois; Willinger, Marc-Georg; Pinna, Nicola; Ravaine, Serge; Vallée, Renaud

    2010-05-01

    Combining both electromagnetic simulations and experiments, it is shown that the photonic pseudo band gap (PPBG) exhibited by a silica opal can be fully controlled by Atomic Layer Deposition (ALD) of titania into the pores of the silica spheres constituting the opal. Different types of opals were assembled by the Langmuir-Blodgett technique: homogeneous closed packed structures set up of, respectively, 260 and 285 nm silica spheres, as well as opal heterostructures consisting of a monolayer of 430 nm silica spheres embedded within 10 layers of 280 nm silica spheres. For the stepwise infiltration of the opals with titania, titanium isopropoxide and acetic acid were used as metal and oxygen sources, in accordance with a recently published non-aqueous approach to ALD. A shift of the direct PPBG, its disappearance, and the subsequent appearance and shifting of the inverse PPBG are observed as the opal is progressively filled. The close agreement between simulated and experimental results is striking, and promising in terms of predicting the properties of advanced photonic materials. Moreover, this work demonstrates that the ALD process is rather robust and can be applied to the coating of complex nanostructures.

  17. A Coupled Chemistry-emission Model for Atomic Oxygen Green and Red-doublet Emissions in the Comet C/1996 B2 Hyakutake

    NASA Astrophysics Data System (ADS)

    Bhardwaj, Anil; Raghuram, Susarla

    2012-03-01

    The green (5577 Å) and red-doublet (6300, 6364 Å) lines are prompt emissions of metastable oxygen atoms in the 1 S and 1 D states, respectively, that have been observed in several comets. The value of the intensity ratio of green to red-doublet (G/R ratio) of 0.1 has been used as a benchmark to identify the parent molecule of oxygen lines as H2O. A coupled chemistry-emission model is developed to study the production and loss mechanisms of the O(1 S) and O(1 D) atoms and the generation of red and green lines in the coma of C/1996 B2 Hyakutake. The G/R ratio depends not only on photochemistry, but also on the projected area observed for cometary coma, which is a function of the dimension of the slit used and the geocentric distance of the comet. Calculations show that the contribution of photodissociation of H2O to the green (red) line emission is 30%-70% (60%-90%), while CO2 and CO are the next potential sources contributing 25%-50% (<5%). The ratio of the photoproduction rate of O(1 S) to O(1 D) would be around 0.03 (±0.01) if H2O is the main source of oxygen lines, whereas it is ~0.6 if the parent is CO2. Our calculations suggest that the yield of O(1 S) production in the photodissociation of H2O cannot be larger than 1%. The model-calculated radial brightness profiles of the red and green lines and G/R ratios are in good agreement with the observations made on the comet Hyakutake in 1996 March.

  18. A COUPLED CHEMISTRY-EMISSION MODEL FOR ATOMIC OXYGEN GREEN AND RED-DOUBLET EMISSIONS IN THE COMET C/1996 B2 HYAKUTAKE

    SciTech Connect

    Bhardwaj, Anil; Raghuram, Susarla E-mail: anil_bhardwaj@vssc.gov.in

    2012-03-20

    The green (5577 Angstrom-Sign ) and red-doublet (6300, 6364 Angstrom-Sign ) lines are prompt emissions of metastable oxygen atoms in the {sup 1}S and {sup 1}D states, respectively, that have been observed in several comets. The value of the intensity ratio of green to red-doublet (G/R ratio) of 0.1 has been used as a benchmark to identify the parent molecule of oxygen lines as H{sub 2}O. A coupled chemistry-emission model is developed to study the production and loss mechanisms of the O({sup 1}S) and O({sup 1}D) atoms and the generation of red and green lines in the coma of C/1996 B2 Hyakutake. The G/R ratio depends not only on photochemistry, but also on the projected area observed for cometary coma, which is a function of the dimension of the slit used and the geocentric distance of the comet. Calculations show that the contribution of photodissociation of H{sub 2}O to the green (red) line emission is 30%-70% (60%-90%), while CO{sub 2} and CO are the next potential sources contributing 25%-50% (<5%). The ratio of the photoproduction rate of O({sup 1} S) to O({sup 1} D) would be around 0.03 ({+-}0.01) if H{sub 2}O is the main source of oxygen lines, whereas it is {approx}0.6 if the parent is CO{sub 2}. Our calculations suggest that the yield of O({sup 1} S) production in the photodissociation of H{sub 2}O cannot be larger than 1%. The model-calculated radial brightness profiles of the red and green lines and G/R ratios are in good agreement with the observations made on the comet Hyakutake in 1996 March.

  19. Surface chemistry of group 11 atomic layer deposition precursors on silica using solid-state nuclear magnetic resonance spectroscopy.

    PubMed

    Pallister, Peter J; Barry, Seán T

    2017-02-07

    The use of chemical vapour deposition (CVD) and atomic layer deposition (ALD) as thin film deposition techniques has had a major impact on a number of fields. The deposition of pure, uniform, conformal thin films requires very specific vapour-solid reactivity that is largely unknown for the majority of ALD and CVD precursors. This work examines the initial chemisorption of several thin film vapour deposition precursors on high surface area silica (HSAS) using (13)C, (31)P, and quantitative (29)Si nuclear magnetic resonance spectroscopy (NMR). Two copper metal precursors, 1,3-diisopropyl-imidazolin-2-ylidene copper (I) hexamethyldisilazide (1) and 1,3-diethyl-imidazolin-2-ylidene copper(I) hexamethyldisilazide (2), and one gold metal precursor, trimethylphosphine gold(III) trimethyl (3), are examined. Compounds 1 and 2 were found to chemisorb at the hydroxyl surface-reactive sites to form a ||-O-Cu-NHC surface species and fully methylated silicon (||-SiMe3, due to reactivity of the hexamethyldisilazane (HMDS) ligand on the precursor) at 150 °C and 250 °C. From quantitative (29)Si solid-state NMR (SS-NMR) spectroscopy measurements, it was found that HMDS preferentially reacts at geminal disilanol surface sites while the copper surface species preferentially chemisorbed to lone silanol surface species. Additionally, the overall coverage was strongly dependent on temperature, with higher overall coverage of 1 at higher temperature but lower overall coverage of 2 at higher temperature. The chemisorption of 3 was found to produce a number of interesting surface species on HSAS. Gold(III) trimethylphosphine, reduced gold phosphine, methylated phosphoxides, and graphitic carbon were all observed as surface species. The overall coverage of 3 on HSAS was only about 10% at 100 °C and, like the copper compounds, had a preference for lone silanol surface reactive sites. The overall coverage and chemisorbed surface species have implications to the overall growth rate and

  20. Surface chemistry of group 11 atomic layer deposition precursors on silica using solid-state nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Pallister, Peter J.; Barry, Seán T.

    2017-02-01

    The use of chemical vapour deposition (CVD) and atomic layer deposition (ALD) as thin film deposition techniques has had a major impact on a number of fields. The deposition of pure, uniform, conformal thin films requires very specific vapour-solid reactivity that is largely unknown for the majority of ALD and CVD precursors. This work examines the initial chemisorption of several thin film vapour deposition precursors on high surface area silica (HSAS) using 13C, 31P, and quantitative 29Si nuclear magnetic resonance spectroscopy (NMR). Two copper metal precursors, 1,3-diisopropyl-imidazolin-2-ylidene copper (I) hexamethyldisilazide (1) and 1,3-diethyl-imidazolin-2-ylidene copper(I) hexamethyldisilazide (2), and one gold metal precursor, trimethylphosphine gold(III) trimethyl (3), are examined. Compounds 1 and 2 were found to chemisorb at the hydroxyl surface-reactive sites to form a ||-O-Cu-NHC surface species and fully methylated silicon (||-SiMe3, due to reactivity of the hexamethyldisilazane (HMDS) ligand on the precursor) at 150 °C and 250 °C. From quantitative 29Si solid-state NMR (SS-NMR) spectroscopy measurements, it was found that HMDS preferentially reacts at geminal disilanol surface sites while the copper surface species preferentially chemisorbed to lone silanol surface species. Additionally, the overall coverage was strongly dependent on temperature, with higher overall coverage of 1 at higher temperature but lower overall coverage of 2 at higher temperature. The chemisorption of 3 was found to produce a number of interesting surface species on HSAS. Gold(III) trimethylphosphine, reduced gold phosphine, methylated phosphoxides, and graphitic carbon were all observed as surface species. The overall coverage of 3 on HSAS was only about 10% at 100 °C and, like the copper compounds, had a preference for lone silanol surface reactive sites. The overall coverage and chemisorbed surface species have implications to the overall growth rate and purity of

  1. Phase equilibria in subseafloor hydrothermal systems: A review of the role of redox, temperature, pH and dissolved Cl on the chemistry of hot spring fluids at mid-ocean ridges

    NASA Astrophysics Data System (ADS)

    Seyfried, W. E., Jr.; Ding, Kang

    Time series measurements of the chemistry of hot spring fluids at mid-ocean ridges (MOR) have revealed steady state concentrations of dissolved species that indicate solubility control by mineral phases in subseafloor reaction zones [Campbell et al., 1988a; Bowers et al., 1988; Butterfield et al. 1994]. That MOR hot spring fluids have relatively low measured pH values (3.1 to 3.9), and are variably depleted in Mg and SO4, while enriched in Ca, K, and Si [Von Damm, 1990] relative to seawater, is entirely consistent with heterogeneous equilibria involving feldspar, chlorite, epidote ± quartz and NaCl fluids at temperatures in the vicinity of 375-400°C [Seyfried et al., 1991]. The high concentrations of so-called "soluble" elements, such as Li, Rb, Cs, and B [Von Damm et al., 1985; Spivack and Edmond, 1987], however, require an abundance of fresh rock (basalt/diabase) relative to the mass of seawater (i.e., low fluid/rock ratio). That these elements also fall to reveal significant compositional changes in fluids from specific hot springs sampled several times over a six year period [Campbell et al., 1985a; Butterfield et al. 1994; Butterfield and Massoth 1994] indicates a non-static and expanding reaction zone caused by penetration of seawater into previously unaltered portions of a solidified magma chamber. Although most vent fluids reveal short term stability [Campbell et al. 1988a; Butterfield and Massoth 1994], this is not always the case, as evidenced by the temporal evolution of the composition of vent fluids at the North Cleft segment of the Juan de Fuca Ridge [Butterfield et al. 1991; Butterfield and Massoth, 1994], and at 9-10degN EPR [Von Damm et al. 1991].

  2. Atomic-Scale Design of Iron Fischer-Tropsch Catalysts; A Combined Computational Chemistry, Experimental, and Microkinetic Modeling Approach

    SciTech Connect

    Manos Mavrikakis; James Dumesic; Rahul Nabar; Calvin Bartholonew; Hu Zou; Uchenna Paul

    2008-09-29

    measurements. The results provide a platform for further development of microkinetic models of FTS on Fe and a basis for more precise modeling of FTS activity of Fe catalysts. Calculations using periodic, self-consistent Density Functional Theory (DFT) methods were performed on various realistic models of industrial, Fe-based FTS catalysts. Close-packed, most stable Fe(110) facet was analyzed and subsequently carbide formation was found to be facile leading to the choice of the FeC(110) model representing a Fe facet with a sub-surface C atom. The Pt adatom (Fe{sup Pt}(110)) was found to be the most stable model for our studies into Pt promotion and finally the role of steps was elucidated by recourse to the defected Fe(211) facet. Binding Energies(BEs), preferred adsorption sites and geometries for all FTS relevant stable species and intermediates were evaluated on each model catalyst facet. A mechanistic model (comprising of 32 elementary steps involving 19 species) was constructed and each elementary step therein was fully characterized with respect to its thermochemistry and kinetics. Kinetic calculations involved evaluation of the Minimum Energy Pathways (MEPs) and activation energies (barriers) for each step. Vibrational frequencies were evaluated for the preferred adsorption configuration of each species with the aim of evaluating entropy-changes, pre exponential factors and serving as a useful connection with experimental surface science techniques. Comparative analysis among these four facets revealed important trends in their relative behavior and roles in FTS catalysis. Overall the First Principles Calculations afforded us a new insight into FTS catalysis on Fe and modified-Fe catalysts.

  3. Chemistry and Philosophy

    ERIC Educational Resources Information Center

    Theobald, D. W.

    1970-01-01

    In the second article of a series, the author discusses some of the interactions between chemistry and philosophy. Evaluates chemistry's role within the scientific enterprise. Traces the rise and fall of the logical atom and argues for a new way of looking at science as an educational instrument. (RR)

  4. Hot Flashes

    MedlinePlus

    Diseases and Conditions Hot flashes By Mayo Clinic Staff Hot flashes are sudden feelings of warmth, which are usually most intense over the ... skin may redden, as if you're blushing. Hot flashes can also cause profuse sweating and may ...

  5. Hot microswimmers

    NASA Astrophysics Data System (ADS)

    Kroy, Klaus; Chakraborty, Dipanjan; Cichos, Frank

    2016-11-01

    Hot microswimmers are self-propelled Brownian particles that exploit local heating for their directed self-thermophoretic motion. We provide a pedagogical overview of the key physical mechanisms underlying this promising new technology. It covers the hydrodynamics of swimming, thermophoresis and -osmosis, hot Brownian motion, force-free steering, and dedicated experimental and simulation tools to analyze hot Brownian swimmers.

  6. Chemistry: Experiments, Demonstrations and Other Activities Suggested for Chemistry.

    ERIC Educational Resources Information Center

    New York State Education Dept., Albany. Bureau of Secondary Curriculum Development.

    This publication is a handbook used in conjunction with the course of study in chemistry developed through the New York State Education Department and The University of the State of New York. It contains experiments, demonstrations, and other activities for a chemistry course. Areas covered include the science of chemistry, the atomic structure of…

  7. Some investigations of the deposition of travertine from Hot Springs-I. The isotopic chemistry of a travertine-depositing spring

    USGS Publications Warehouse

    Friedman, I.

    1970-01-01

    The isotopic compositions of the travertine and of the hot spring solutions were studied at Main Springs and New Highland Terrace in the Mammoth Hot Springs area of Yellowstone Park. The springs issue at 74??C and a pH of 6.65 and the carbon isotopic composition of the travertine depositing at the orifice is +2%.??C13 (PDB). As the water travels out from the orifice, it cools and loses CO2. The travertine depositing at lower temperature is enriched in C13, reaching values of +4.8%. and the solution has a pH of 8.2 at 27??C. The ??C13 of the carbon species in solution is about -2.3%. at 74?? and about +4.3 at 27??C. Therefore, the difference in ??C13 between the solid and solution is approximately 4%. at 74?? and decreases to zero at about 20??C. These differences are shown to be due to kinetic (non-equilibrium) factors. The ??O18 contents of the travertine and water show that in most samples the carbonate oxygen is in equilibrium with the water O18 at the temperatures of deposition. This is especially true for travertine depositing slowly and at temperatures above about 50??C. Calculations based on pH and alkalinity titrations of the hot spring waters in situ show that at the spring orifice the water is very high in free CO2, which is quickly lost in transit. The springs are supersaturated with respect to both aragonite and calcite during most of their travel in the open air. The carbon isotopic composition of the travertine is similar to that in the marine carbonates that are adjacent to the springs and that are the probable source of the calcium carbonate. The travertine from inactive prehistoric springs near Mammoth has similar ??C13 and O18 to that from the active springs. Soda Butte, an inactive center 25 miles east of Mammoth, contains heavier carbon and oxygen than the springs near Mammoth. ?? 1970.

  8. Oxygen-Induced Restructuring of Rutile TiO(2)(110): Formation Mechanism, Atomic Models, and Influence on Surface Chemistry

    SciTech Connect

    Li, Min; Hebenstreit, Wilhelm; Diebold, Ulrike; Henderson, Michael A.; Jennison, Dwight R.

    1999-07-07

    The rutile TiO{sub 2} (110) (1x1) surface is considered the prototypical ''well-defined'' system in the surface science of metal oxides. Its popularity results partly from two experimental advantages: bulk-reduced single crystals do not exhibit charging, and stoichiometric surfaces--as judged by electron spectroscopes--can be prepared reproducibly by sputtering and annealing in oxygen. We present results that show that this commonly-applied preparation procedure may result in a surface structure that is by far more complex than generally anticipated. Flat, (1x1) terminated surfaces are obtained by sputtering and annealing in ultrahigh vacuum. When re-annealed in oxygen at moderate temperatures (470 K to 660 K), irregular networks of partially-connected, pseudohexagonal rosettes (6.5 x 6 {angstrom} wide), one-unit cell wide strands, and small ({approximately} tens of {angstrom}) (1x1) islands appear. This new surface phase is formed through reaction of oxygen gas with interstitial Ti from the reduced bulk. Because it consists of an incomplete, kinetically-limited (1x1) layer, this phenomenon has been termed restructuring. We report a combined experimental and theoretical study that systematically explores this restructuring process. The influence of several parameters (annealing time, temperature, pressure, sample history, gas) on the surface morphology is investigated using STM. The surface coverage of the added phase as well as the kinetics of the restructuring process are quantified by LEIS and SSIMS measurements in combination with annealing in {sup 18}O-enriched gas. Atomic models of the essential structural elements are presented and are shown to be stable with first-principles density functional calculations. The effect of oxygen-induced restructuring on surface chemistry and its importance for TiO{sub 2} and other bulk-reduced oxide materials is briefly discussed.

  9. Organic chemistry on Titan

    NASA Technical Reports Server (NTRS)

    Chang, S.; Scattergood, T.; Aronowitz, S.; Flores, J.

    1978-01-01

    Observations of nonequilibrium phenomena on the Saturn satellite Titan indicate the occurrence of organic chemical evolution. Greenhouse and thermal inversion models of Titan's atmosphere provide environmental constraints within which various pathways for organic chemical synthesis are assessed. Experimental results and theoretical modeling studies suggest that the organic chemistry of the satellite may be dominated by two atmospheric processes: energetic-particle bombardment and photochemistry. Reactions initiated in various levels of the atmosphere by cosmic ray, Saturn wind, and solar wind particle bombardment of a CH4 - N2 atmospheric mixture can account for the C2-hydrocarbons, the UV-visible-absorbing stratospheric haze, and the reddish color of the satellite. Photochemical reactions of CH4 can also account for the presence of C2-hydrocarbons. In the lower Titan atmosphere, photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. Hot H-atom reactions initiated by photo-dissociation of NH3 can couple the chemical reactions of NH3 and CH4 and produce organic matter.

  10. Materials News: Interfacial chemistry and atomic arrangement of ZrO{sub 2} − La{sub 2/3}Sr{sub 1/3}MnO{sub 3} pillar-matrix structures

    SciTech Connect

    Zhou, Dan Sigle, Wilfried; Wang, Yi; Kelsch, Marion; Aken, Peter A. van; Okunishi, Eiji; Habermeier, Hanns-Ulrich

    2014-12-01

    We studied ZrO{sub 2} − La{sub 2/3}Sr{sub 1/3}MnO{sub 3} pillar–matrix thin films which were found to show anomalous magnetic and electron transport properties. With the application of an aberration-corrected transmission electron microscope, interfacial chemistry, and atomic-arrangement of the system, especially of the pillar–matrix interface were revealed at atomic resolution. Minor amounts of Zr were found to occupy Mn positions within the matrix. The Zr concentration reaches a minimum near the pillar–matrix interface accompanied by oxygen vacancies. La and Mn diffusion into the pillar was revealed at atomic resolution and a concomitant change of the Mn valence state was observed.

  11. Partial Characterization of a Novel Amphibian Hemoglobin as a Model for Graduate Student Investigation on Peptide Chemistry, Mass Spectrometry, and Atomic Force Microscopy

    ERIC Educational Resources Information Center

    Bemquerer, Marcelo P.; Macedo, Jessica K. A.; Ribeiro, Ana Carolina J.; Carvalho, Andrea C.; Silva, Debora O. C.; Braz, Juliana M.; Medeiros, Kelliane A.; Sallet, Lunalva A. P.; Campos, Pollyanna F.; Prates, Maura V.; Silva, Luciano P.

    2012-01-01

    Graduate students in chemistry, and in biological and biomedical fields must learn the fundamentals and practices of peptide and protein chemistry as early as possible. A project-oriented approach was conducted by first-year M.Sc and Ph.D students in biological sciences. A blind glass slide containing a cellular smear and an aqueous cellular…

  12. Shape-selective catalysts for Fischer-Tropsch chemistry : atomic layer deposition of active catalytic metals. Activity report : January 1, 2005 - September 30, 2005.

    SciTech Connect

    Cronauer, D. C.

    2011-04-15

    Argonne National Laboratory is carrying out a research program to create, prepare, and evaluate catalysts to promote Fischer-Tropsch (FT) chemistry - specifically, the reaction of hydrogen with carbon monoxide to form long-chain hydrocarbons. In addition to needing high activity, it is desirable that the catalysts have high selectivity and stability with respect to both mechanical strength and aging properties. The broad goal is to produce diesel fraction components and avoiding excess yields of both light hydrocarbons and heavy waxes. Originally the goal was to prepare shape-selective catalysts that would limit the formation of long-chain products and yet retain the active metal sites in a protected 'cage.' Such catalysts were prepared with silica-containing fractal cages. The activity was essentially the same as that of catalysts without the cages. We are currently awaiting follow-up experiments to determine the attrition strength of these catalysts. A second experimental stage was undertaken to prepare and evaluate active FT catalysts formed by atomic-layer deposition [ALD] of active components on supported membranes and particulate supports. The concept was that of depositing active metals (i.e. ruthenium, iron or cobalt) upon membranes with well defined flow channels of small diameter and length such that the catalytic activity and product molecular weight distribution could be controlled. In order to rapidly evaluate the catalytic membranes, the ALD coating processes were performed in an 'exploratory mode' in which ALD procedures from the literature appropriate for coating flat surfaces were applied to the high surface area membranes. Consequently, the Fe and Ru loadings in the membranes were likely to be smaller than those expected for complete monolayer coverage. In addition, there was likely to be significant variation in the Fe and Ru loading among the membranes due to difficulties in nucleating these materials on the aluminum oxide surfaces. The first

  13. Search for methylamine in high mass hot cores

    NASA Astrophysics Data System (ADS)

    Ligterink, N. F. W.; Tenenbaum, E. D.; van Dishoeck, E. F.

    2015-04-01

    Aims: We aim to detect methylamine, CH3NH2, in a variety of hot cores and use it as a test for the importance of photon-induced chemistry in ice mantles and mobility of radicals. Specifically, CH3NH2 cannot be formed from atom addition to CO whereas other NH2-containing molecules such as formamide, NH2CHO, can. Methods: Submillimeter spectra of several massive hot core regions were taken with the James Clerk Maxwell Telescope (JCMT). Abundances are determined with the rotational diagram method where possible. Results: Methylamine is not detected, giving upper limit column densities between 1.9-6.4 × 1016 cm-2 for source sizes corresponding to the 100 K envelope radius. Combined with previously obtained JCMT data analysed in the same way, abundance ratios of CH3NH2, NH2CHO and CH3CN with respect to each other and to CH3OH are determined. These ratios are compared with Sagittarius B2 observations, where all species are detected, and to hot core models. Conclusions: The observed ratios suggest that both methylamine and formamide are overproduced by up to an order of magnitude in hot core models. Acetonitrile is however underproduced. The proposed chemical schemes leading to these molecules are discussed and reactions that need further laboratory studies are identified. The upper limits obtained in this paper can be used to guide future observations, especially with ALMA. Appendices are available in electronic form at http://www.aanda.org

  14. Presidential Green Chemistry Challenge: 1998 Academic Award (Trost)

    EPA Pesticide Factsheets

    Presidential Green Chemistry Challenge 1998 award winner Professor Barry M. Trost, developed the concept of atom economy: chemical reactions that do not waste atoms. This is a fundamental cornerstone of green chemistry.

  15. The Place of Macromolecules in Freshman Chemistry

    ERIC Educational Resources Information Center

    Wunderlich, Bernhard

    1973-01-01

    Discusses the inclusion of knowledge on macromolecules into a freshman chemistry course which emphasizes topics in organic chemistry, polymer science and biochemistry, atoms, chemical thermodynamics, and inorganic chemistry. Indicates that the program is the only way to keep chemistry education up to date. (CC)

  16. Computational chemistry

    NASA Technical Reports Server (NTRS)

    Arnold, J. O.

    1987-01-01

    With the advent of supercomputers, modern computational chemistry algorithms and codes, a powerful tool was created to help fill NASA's continuing need for information on the properties of matter in hostile or unusual environments. Computational resources provided under the National Aerodynamics Simulator (NAS) program were a cornerstone for recent advancements in this field. Properties of gases, materials, and their interactions can be determined from solutions of the governing equations. In the case of gases, for example, radiative transition probabilites per particle, bond-dissociation energies, and rates of simple chemical reactions can be determined computationally as reliably as from experiment. The data are proving to be quite valuable in providing inputs to real-gas flow simulation codes used to compute aerothermodynamic loads on NASA's aeroassist orbital transfer vehicles and a host of problems related to the National Aerospace Plane Program. Although more approximate, similar solutions can be obtained for ensembles of atoms simulating small particles of materials with and without the presence of gases. Computational chemistry has application in studying catalysis, properties of polymers, all of interest to various NASA missions, including those previously mentioned. In addition to discussing these applications of computational chemistry within NASA, the governing equations and the need for supercomputers for their solution is outlined.

  17. Two Regimes of Interaction of a Hot Jupiter’s Escaping Atmosphere with the Stellar Wind and Generation of Energized Atomic Hydrogen Corona

    NASA Astrophysics Data System (ADS)

    Shaikhislamov, I. F.; Khodachenko, M. L.; Lammer, H.; Kislyakova, K. G.; Fossati, L.; Johnstone, C. P.; Prokopov, P. A.; Berezutsky, A. G.; Zakharov, Yu. P.; Posukh, V. G.

    2016-12-01

    The interaction of escaping the upper atmosphere of a hydrogen-rich non-magnetized analog of HD 209458b with a stellar wind (SW) of its host G-type star at different orbital distances is simulated with a 2D axisymmetric multi-fluid hydrodynamic (HD) model. A realistic Sun-like spectrum of X-ray and ultraviolet radiation, which ionizes and heats the planetary atmosphere, together with hydrogen photochemistry, as well as stellar-planetary tidal interaction are taken into account to generate self-consistently an atmospheric HD outflow. Two different regimes of the planetary and SW interaction have been modeled. These are: (1) the “captured by the star” regime, when the tidal force and pressure gradient drive the planetary material beyond the Roche lobe toward the star, and (2) the “blown by the wind” regime, when sufficiently strong SW confines the escaping planetary atmosphere and channels it into the tail. The model simulates in detail the HD interaction between the planetary atoms, protons and the SW, as well as the production of energetic neutral atoms (ENAs) around the planet due to charge exchange between planetary atoms and stellar protons. The revealed location and shape of the ENA cloud, either as a paraboloid shell between the ionopause and bowshock (for the “blown by the wind” regime), or a turbulent layer at the contact boundary between the planetary stream and SW (for the “captured by the star” regime) are of importance for the interpretation of Lyα absorption features in exoplanetary transit spectra and characterization of the plasma environments.

  18. Retained Austenite Decomposition and Carbide Formation During Tempering a Hot-Work Tool Steel X38CrMoV5-1 Studied by Dilatometry and Atom Probe Tomography

    NASA Astrophysics Data System (ADS)

    Lerchbacher, Christoph; Zinner, Silvia; Leitner, Harald

    2012-12-01

    The microstructural development of a hot-work tool steel X38CrMoV5-1 during continuous heating to tempering temperature has been investigated with the focus on the decomposition of retained austenite (Stage II) and carbide formation (Stages III and IV). Investigations have been carried out after heating to 673.15 K, 773.15 K, 883.15 K (400 °C, 500 °C, 610 °C) and after a dwell time of 600 seconds at 883.15 K (610 °C). Dilatometry and atom probe tomography were used to identify tempering reactions. A distinctive reaction takes place between 723.15 K and 823.15 K (450 °C and 550 °C) which is determined to be the formation of M3C from transition carbides. Stage II could be evidenced with the atom probe results and indirectly with dilatometry, indicating the formation of new martensite during cooling. Retained austenite decomposition starts with the precipitation of alloy carbides formed from nanometric interlath retained austenite films which are laminary arranged and cause a reduction of the carbon content within the retained austenite. Preceding enrichment of substitutes at the matrix/carbide interface in the early stages of Cr7C3 alloy carbide formation could be visualised on the basis of coarse M3C carbides within the matrix. Atom probe tomography has been found to be very useful to complement dilatational experiments in order to characterise and identify microstructural changes.

  19. When Atoms Want

    ERIC Educational Resources Information Center

    Talanquer, Vicente

    2013-01-01

    Chemistry students and teachers often explain the chemical reactivity of atoms, molecules, and chemical substances in terms of purposes or needs (e.g., atoms want or need to gain, lose, or share electrons in order to become more stable). These teleological explanations seem to have pedagogical value as they help students understand and use…

  20. Presidential Green Chemistry Challenge: 2009 Academic Award

    EPA Pesticide Factsheets

    Presidential Green Chemistry Challenge 2009 award winner, Professor Krzysztof Matyjaszewski, developed Atom Transfer Radical Polymerization to make polymers with copper catalysts and environmentally friendly reducing agents.

  1. Modeling of Fuel Film Cooling on Chamber Hot Wall

    DTIC Science & Technology

    2014-07-01

    chemistry of hydrocarbon combustion, pyrolysis, soot formation, and soot oxidation can involve hundreds of species and thousands of reactions . The...equilibrium chemistry is constructed to simulate hydrocarbon fuel film cooling of the hot-gas side of liquid rocket engine chamber walls. The predictive...equilibrium chemistry is constructed to simulate hydrocarbon fuel film cooling of the hot-gas side of liquid rocket engine chamber walls. The predictive

  2. Application of laser induced electron impact ionization to the deposition chemistry in the hot-wire chemical vapor deposition process with SiH4-NH3 gas mixtures.

    PubMed

    Eustergerling, Brett; Hèden, Martin; Shi, Yujun

    2007-11-01

    The application of a laser-induced electron impact (LIEI) ionization source in studying the gas-phase chemistry of the SiH(4)/NH(3) hot-wire chemical vapor deposition (HWCVD) system has been investigated. The LIEI source is achieved by directing an unfocused laser beam containing both 118 nm (10.5 eV) vacuum ultraviolet (VUV) and 355 nm UV radiations to the repeller plate in a time-of-flight mass spectrometer. Comparison of the LIEI source with the conventional 118 nm VUV single-photon ionization (SPI) method has demonstrated that the intensities of the chemical species with ionization potentials (IP) above 10.5 eV, e.g., H(2), N(2) and He, have been significantly enhanced with the incorporation of the LIEI source. It is found that the SPI source due to the 118 nm VUV light coexists in the LIEI source. This allows simultaneous observations of parent ions with enhanced intensity from VUV SPI and their "fingerprint" fragmentation ions from LIEI. It is, therefore, an effective tool to diagnose the gas-phase chemical species involved with both NH(3) and SiH(4) in the HWCVD reactor. In using the LIEI source to SiH(4), NH(3) and their mixtures, it has been shown that the NH(3) decomposition is suppressed with the addition of SiH(4) molecules. Examination of the NH(3) decomposition percentage and the time to reach the N(2) and H(2) steady-state intensities for various NH(3)/SiH(4) mixtures suggests that the extent of the suppression is enhanced with more SiH(4) content in the mixture. With increasing filament temperatures, the negative effect of SiH(4) becomes less important.

  3. Fluorine in medicinal chemistry.

    PubMed

    Swallow, Steven

    2015-01-01

    Since its first use in the steroid field in the late 1950s, the use of fluorine in medicinal chemistry has become commonplace, with the small electronegative fluorine atom being a key part of the medicinal chemist's repertoire of substitutions used to modulate all aspects of molecular properties including potency, physical chemistry and pharmacokinetics. This review will highlight the special nature of fluorine, drawing from a survey of marketed fluorinated pharmaceuticals and the medicinal chemistry literature, to illustrate key concepts exploited by medicinal chemists in their attempts to optimize drug molecules. Some of the potential pitfalls in the use of fluorine will also be highlighted.

  4. From Cathode Rays To Alpha Particles To Quantum of Action: A Rational Reconstruction of Structure of the Atom and Its Implications for Chemistry Textbooks.

    ERIC Educational Resources Information Center

    Niaz, Mansoor

    1998-01-01

    Reports on a study that involves the analysis of chemistry textbooks at the college freshman level to determine the degree to which they address developments in the history and philosophy of science. Twenty-three textbooks were evaluated on eight criteria. Contains 108 references. (DDR)

  5. Art in Chemistry: Chemistry in Art. Second Edition

    ERIC Educational Resources Information Center

    Greenberg, Barbara R.; Patterson, Dianne

    2008-01-01

    This textbook integrates chemistry and art with hands-on activities and fascinating demonstrations that enable students to see and understand how the science of chemistry is involved in the creation of art. It investigates such topics as color integrated with electromagnetic radiation, atoms, and ions; paints integrated with classes of matter,…

  6. The Great Ideas of Chemistry.

    ERIC Educational Resources Information Center

    Gillespie, Ronald J.

    1997-01-01

    Presents a list of six concepts that form the basis of modern chemistry and that should be included in introductory chemistry courses. Discusses atoms, molecules, and ions; the chemical bond; molecular shape and geometry; kinetic theory; the chemical reaction; and energy and entropy. (JRH)

  7. Understanding Atomic Structure: Is There a More Direct and Compelling Connection between Atomic Line Spectra and the Quantization of an Atom's Energy?

    ERIC Educational Resources Information Center

    Rittenhouse, Robert C.

    2015-01-01

    The "atoms first" philosophy, adopted by a growing number of General Chemistry textbook authors, places greater emphasis on atomic structure as a key to a deeper understanding of the field of chemistry. A pivotal concept needed to understand the behavior of atoms is the restriction of an atom's energy to specific allowed values. However,…

  8. Hot Tickets

    ERIC Educational Resources Information Center

    Fox, Bette-Lee; Hoffert, Barbara; Kuzyk, Raya; McCormack, Heather; Williams, Wilda

    2008-01-01

    This article describes the highlights of this year's BookExpo America (BEA) held at the Los Angeles Convention Center. The attendees at BEA had not minded that the air was recycled, the lighting was fluorescent, and the food was bad. The first hot book sighting came courtesy of Anne Rice. Michelle Moran, author of newly published novel, "The…

  9. Matrix-isolation studies on the radiation-induced chemistry in H₂O/CO₂ systems: reactions of oxygen atoms and formation of HOCO radical.

    PubMed

    Ryazantsev, Sergey V; Feldman, Vladimir I

    2015-03-19

    The radiation-induced transformations occurring upon X-ray irradiation of solid CO2/H2O/Ng systems (Ng = Ar, Kr, Xe) at 8-10 K and subsequent annealing up to 45 K were studied by Fourier transform infrared spectroscopy. The infrared (IR) spectra of deposited matrices revealed the presence of isolated monomers, dimers, and intermolecular H2O···CO2 complexes. Irradiation resulted in effective decomposition of matrix-isolated carbon dioxide and water yielding CO molecules and OH radicals, respectively. Annealing of the irradiated samples led to formation of O3, HO2, and a number of xenon hydrides of HXeY type (in the case of xenon matrices). The formation of these species was used for monitoring of the postirradiation thermally induced chemical reactions involving O and H atoms generated by radiolysis. It was shown that the radiolysis of CO2 in noble-gas matrices produced high yields of stabilized oxygen atoms. In all cases, the temperatures at which O atoms become mobile and react are lower than those of H atoms. Dynamics and reactivity of oxygen atoms was found to be independent of the precursor nature. In addition, the formation of HOCO radicals was observed in all the noble-gas matrices at remarkably low temperatures. The IR spectra of HOCO and DOCO were first characterized in krypton and xenon matrices. It was concluded that the formation of HOCO was mainly due to the radiation-induced evolution of the weakly bound H2O···CO2 complexes. This result indicates the significance of weak intermolecular interactions in the radiation-induced chemical processes in inert low-temperature media.

  10. Chemistry-nuclear chemistry division. Progress report, October 1979-September 1980

    SciTech Connect

    Ryan, R.R.

    1981-05-01

    This report presents the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, element migration and fixation, inorganic chemistry, isotope separation and analysis, atomic and molecular collisions, molecular spectroscopy, muonic x rays, nuclear cosmochemistry, nuclear structure and reactions, radiochemical separations, theoretical chemistry, and unclassified weapons research.

  11. Rotating optical tubes for vertical transport of atoms

    NASA Astrophysics Data System (ADS)

    Al Rsheed, Anwar; Lyras, Andreas; Aldossary, Omar M.; Lembessis, Vassilis E.

    2016-12-01

    The classical dynamics of a cold atom trapped inside a vertical rotating helical optical tube (HOT) is investigated by taking also into account the gravitational field. The resulting equations of motion are solved numerically. The rotation of the HOT induces a vertical motion for an atom initially at rest. The motion is a result of the action of two inertial forces, namely, the centrifugal force and the Coriolis force. Both inertial forces force the atom to rotate in a direction opposite to that of the angular velocity of the HOT. The frequency and the turning points of the atom's global oscillation can be controlled by the value and the direction of the angular velocity of the HOT. However, at large values of the angular velocity of the HOT the atom can escape from the global oscillation and be transported along the axis of the HOT. In this case, the rotating HOT operates as an optical Archimedes' screw for atoms.

  12. Atmospheric chemistry of propionaldehyde: kinetics and mechanisms of reactions with OH radicals and Cl atoms, UV spectrum, and self-reaction kinetics of CH3CH2C(O)O2 radicals at 298 K.

    PubMed

    Le Crâne, Jean-Paul; Villenave, Eric; Hurley, Michael D; Wallington, Timothy J; Ball, James C

    2005-12-29

    The kinetics and mechanism of the reactions of Cl atoms and OH radicals with CH3CH2CHO were investigated at room temperature using two complementary techniques: flash photolysis/UV absorption and continuous photolysis/FTIR smog chamber. Reaction with Cl atoms proceeds predominantly by abstraction of the aldehydic hydrogen atom to form acyl radicals. FTIR measurements indicated that the acyl forming channel accounts for (88 +/- 5)%, while UV measurements indicated that the acyl forming channel accounts for (88 +/- 3)%. Relative rate methods were used to measure: k(Cl + CH3CH2CHO) = (1.20 +/- 0.23) x 10(-10); k(OH + CH3CH2CHO) = (1.82 +/- 0.23) x 10(-11); and k(Cl + CH3CH2C(O)Cl) = (1.64 +/- 0.22) x 10(-12) cm3 molecule(-1) s(-1). The UV spectrum of CH3CH2C(O)O2, rate constant for self-reaction, and rate constant for cross-reaction with CH3CH2O2 were determined: sigma(207 nm) = (6.71 +/- 0.19) x 10(-18) cm2 molecule(-1), k(CH3CH2C(O)O2 + CH3CH2C(O)O2) = (1.68 +/- 0.08) x 10(-11), and k(CH3CH2C(O)O2 + CH3CH2O2) = (1.20 +/- 0.06) x 10(-11) cm3 molecule(-1) s(-1), where quoted uncertainties only represent 2sigma statistical errors. The infrared spectrum of C2H5C(O)O2NO2 was recorded, and products of the Cl-initiated oxidation of CH3CH2CHO in the presence of O2 with, and without, NO(x) were identified. Results are discussed with respect to the atmospheric chemistry of propionaldehyde.

  13. Are 'hot spots' hot spots?

    NASA Astrophysics Data System (ADS)

    Foulger, Gillian R.

    2012-07-01

    The term 'hot spot' emerged in the 1960s from speculations that Hawaii might have its origins in an unusually hot source region in the mantle. It subsequently became widely used to refer to volcanic regions considered to be anomalous in the then-new plate tectonic paradigm. It carried with it the implication that volcanism (a) is emplaced by a single, spatially restricted, mongenetic melt-delivery system, assumed to be a mantle plume, and (b) that the source is unusually hot. This model has tended to be assumed a priori to be correct. Nevertheless, there are many geological ways of testing it, and a great deal of work has recently been done to do so. Two fundamental problems challenge this work. First is the difficulty of deciding a 'normal' mantle temperature against which to compare estimates. This is usually taken to be the source temperature of mid-ocean ridge basalts (MORBs). However, Earth's surface conduction layer is ˜200 km thick, and such a norm is not appropriate if the lavas under investigation formed deeper than the 40-50 km source depth of MORB. Second, methods for estimating temperature suffer from ambiguity of interpretation with composition and partial melt, controversy regarding how they should be applied, lack of repeatability between studies using the same data, and insufficient precision to detect the 200-300 °C temperature variations postulated. Available methods include multiple seismological and petrological approaches, modelling bathymetry and topography, and measuring heat flow. Investigations have been carried out in many areas postulated to represent either (hot) plume heads or (hotter) tails. These include sections of the mid-ocean spreading ridge postulated to include ridge-centred plumes, the North Atlantic Igneous Province, Iceland, Hawaii, oceanic plateaus, and high-standing continental areas such as the Hoggar swell. Most volcanic regions that may reasonably be considered anomalous in the simple plate-tectonic paradigm have been

  14. Atmospheric chemistry of sulfuryl fluoride: reaction with OH radicals, Cl atoms and O3, atmospheric lifetime, IR spectrum, and global warming potential.

    PubMed

    Andersen, M P Sulbaek; Blake, D R; Rowland, F S; Hurley, M D; Wallington, T J

    2009-02-15

    Sulfuryl fluoride (SO2F2) is a radiatively active industrial chemical released into the atmosphere in significant (ktonne/ year) quantities. The potential for SO2F2 to contribute to radiative forcing of climate change needs to be assessed. Long path length FTIR/smog chamber techniques were used to investigate the kinetics of the gas-phase reactions of Cl atoms, OH radicals, and O3 with SO2F2, in 700 Torr total pressure of air or N2 at 296 +/- 1 K. Upper limits of k(Cl + SO2F2) < 9 x 10(-19), k(OH + SO2F2) < 1.7 x 10(-14) and k(O3 + SO2F2) < 5.5 x 10(-24) cm3 molecule(-1) s(-1) were determined. Reaction with Cl atoms, OH radicals, or O3 does not provide an efficient removal mechanism for SO2F2. The infrared spectrum of SO2F2 is reported and a radiative efficiency of 0.196 W m(-2) ppbv(-1) was calculated. Historic production data estimates are presented which provide an upper limit for expected atmospheric concentrations. The radiative forcing of climate change associated with emissions of SO2F2 depends critically on the atmospheric lifetime of SO2F2. Further research is urgently needed to define the magnitude of potential nonatmospheric sinks.

  15. Chemistry of Transactinides

    NASA Astrophysics Data System (ADS)

    Kratz, J. V.

    In this chapter, the chemical properties of the man-made transactinide elements rutherfordium, Rf (element 104), dubnium, Db (element 105), seaborgium, Sg (element 106), bohrium, Bh (element 107), hassium, Hs (element 108), and copernicium, Cn (element 112) are reviewed, and prospects for chemical characterizations of even heavier elements are discussed. The experimental methods to perform rapid chemical separations on the time scale of seconds are presented and comments are given on the special situation with the transactinides where chemistry has to be studied with single atoms. It follows a description of theoretical predictions and selected experimental results on the chemistry of elements 104 through 108, and element 112.

  16. Hot Meetings

    NASA Technical Reports Server (NTRS)

    Chiu, Mary

    2002-01-01

    A colleague walked by my office one time as I was conducting a meeting. There were about five or six members of my team present. The colleague, a man who had been with our institution (The Johns Hopkins Applied Physics Lab, a.k.a. APL) for many years, could not help eavesdropping. He said later it sounded like we we re having a raucous argument, and he wondered whether he should stand by the door in case things got out of hand and someone threw a punch. Our Advanced Composition Explorer (ACE) team was a hot group, to invoke the language that is fashionable today, although we never thought of ourselves in those terms. It was just our modus operandi. The tenor of the discussion got loud and volatile at times, but I prefer to think of it as animated, robust, or just plain collaborative. Mary Chiu and her "hot" team from the Johns Hopkins Applied Physics Laboratory built the Advanced Composition Explorer spacecraft for NASA. Instruments on the spacecraft continue to collect data that inform us about what's happening on our most important star, the Sun.

  17. Biophysical chemistry.

    PubMed

    Häussinger, Daniel; Pfohl, Thomas

    2010-01-01

    Biophysical chemistry at the Department of Chemistry, University of Basel, covers the NMR analysis of protein-protein interaction using paramagnetic tags and sophisticated microscopy techniques investigating the dynamics of biological matter.

  18. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and chemistry experiments. Topics include sublimation, electronegativity, electrolysis, experimental aspects of strontianite, halide test, evaluation of present and future computer programs in chemistry, formula building, care of glass/saturated calomel…

  19. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1976

    1976-01-01

    Described are eight chemistry experiments and demonstrations applicable to introductory chemistry courses. Activities include: measure of lattice enthalpy, Le Chatelier's principle, decarboxylation of soap, use of pocket calculators in pH measurement, and making nylon. (SL)

  20. Chemistry Dashboard

    EPA Pesticide Factsheets

    The Chemistry Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. The Chemistry Dashboard provides access to a variety of information on over 700,000 chemicals currently in use.

  1. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Thirteen ideas are presented that may be of use to chemistry teachers. Topics covered include vitamin C, industrial chemistry, electrical conductivity, electrolysis, alkali metals, vibration modes infra-red, dynamic equilibrium, and some new demonstrations in gaseous combinations. (PS)

  2. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents background information, laboratory procedures, classroom materials/activities, and experiments for chemistry. Topics include superheavy elements, polarizing power and chemistry of alkali metals, particulate carbon from combustion, tips for the chemistry laboratory, interesting/colorful experiments, behavior of bismuth (III) iodine, and…

  3. Electron - Atom Bremsstrahlung

    NASA Astrophysics Data System (ADS)

    Kim, Longhuan

    In this work we study the features of bremsstrahlung radiation from neutral atoms and atoms in hot dense plasmas. Predictions for the distributions of electron-atom bremsstrahlung radiation for both the point Coulomb potential and screened potentials are obtained using a classical numerical method. The results agree with exact quantum mechanical partial wave results for low incident electron energies in both the point Coulomb and screened potentials. In the screened potential the asymmetry parameter of a spectrum is reduced from the Coulomb values. The difference increases with decreasing energy and begins to oscillate at very low energies. We also studied the scaling properties of bremsstrahlung spectra and energy losses. It is found that the ratio of the radiative energy loss for positrons to that for electrons obeys a simple scaling law, being expressible fairly accurately as a function only of the quantity T(,1)/Z('2). This scaling is exact in the case of the point Coulomb potential, both for classical bremsstrahlung and for the nonrelativistic dipole Sommerfeld formula. We also studied bremsstrahlung from atoms in hot dense plasmas, describing the atomic potentials by the temperature-and-density dependent Thomas - Fermi model. Gaunt factors are obtained with the relativistic partial wave method for atoms in plasmas of various densities and temperatures. Features of the bremsstrahlung from atoms in such environments are discussed. The dependence of predicted bremsstrahlung spectra on the choice of potential from various average atom potential models for strongly coupled plasmas are also studied. For the energy range and plasma densities were considered, the choice of potential model among the elaborate atomic potentials is less important than the choice of the method of calculation. The use of a detailed configuration accounting method for bremsstrahlung processes in dense plasmas is less important than for some other atomic processes. We justify the usefulness

  4. Atoms in Astronomy.

    ERIC Educational Resources Information Center

    Blanchard, Paul A.

    This booklet is part of an American Astronomical Society curriculum project designed to provide teaching materials to teachers of secondary school chemistry, physics, and earth science. A Basic Topics section discusses atomic structure, emphasizing states of matter at high temperature and spectroscopic analysis of light from the stars. A section…

  5. Atomic and molecular supernovae

    NASA Technical Reports Server (NTRS)

    Liu, Weihong

    1997-01-01

    Atomic and molecular physics of supernovae is discussed with an emphasis on the importance of detailed treatments of the critical atomic and molecular processes with the best available atomic and molecular data. The observations of molecules in SN 1987A are interpreted through a combination of spectral and chemical modelings, leading to strong constraints on the mixing and nucleosynthesis of the supernova. The non-equilibrium chemistry is used to argue that carbon dust can form in the oxygen-rich clumps where the efficient molecular cooling makes the nucleation of dust grains possible. For Type Ia supernovae, the analyses of their nebular spectra lead to strong constraints on the supernova explosion models.

  6. CLUSTER CHEMISTRY

    SciTech Connect

    Muetterties, Earl L.

    1980-05-01

    Metal cluster chemistry is one of the most rapidly developing areas of inorganic and organometallic chemistry. Prior to 1960 only a few metal clusters were well characterized. However, shortly after the early development of boron cluster chemistry, the field of metal cluster chemistry began to grow at a very rapid rate and a structural and a qualitative theoretical understanding of clusters came quickly. Analyzed here is the chemistry and the general significance of clusters with particular emphasis on the cluster research within my group. The importance of coordinately unsaturated, very reactive metal clusters is the major subject of discussion.

  7. Forensic chemistry.

    PubMed

    Bell, Suzanne

    2009-01-01

    Forensic chemistry is unique among chemical sciences in that its research, practice, and presentation must meet the needs of both the scientific and the legal communities. As such, forensic chemistry research is applied and derivative by nature and design, and it emphasizes metrology (the science of measurement) and validation. Forensic chemistry has moved away from its analytical roots and is incorporating a broader spectrum of chemical sciences. Existing forensic practices are being revisited as the purview of forensic chemistry extends outward from drug analysis and toxicology into such diverse areas as combustion chemistry, materials science, and pattern evidence.

  8. Chemistry of superheavy elements.

    PubMed

    Schädel, Matthias

    2006-01-09

    The number of chemical elements has increased considerably in the last few decades. Most excitingly, these heaviest, man-made elements at the far-end of the Periodic Table are located in the area of the long-awaited superheavy elements. While physical techniques currently play a leading role in these discoveries, the chemistry of superheavy elements is now beginning to be developed. Advanced and very sensitive techniques allow the chemical properties of these elusive elements to be probed. Often, less than ten short-lived atoms, chemically separated one-atom-at-a-time, provide crucial information on basic chemical properties. These results place the architecture of the far-end of the Periodic Table on the test bench and probe the increasingly strong relativistic effects that influence the chemical properties there. This review is focused mainly on the experimental work on superheavy element chemistry. It contains a short contribution on relativistic theory, and some important historical and nuclear aspects.

  9. Uranium triamidoamine chemistry.

    PubMed

    Gardner, Benedict M; Liddle, Stephen T

    2015-07-07

    Triamidoamine (Tren) complexes of the p- and d-block elements have been well-studied, and they display a diverse array of chemistry of academic, industrial and biological significance. Such in-depth investigations are not as widespread for Tren complexes of uranium, despite the general drive to better understand the chemical behaviour of uranium by virtue of its fundamental position within the nuclear sector. However, the chemistry of Tren-uranium complexes is characterised by the ability to stabilise otherwise reactive, multiply bonded main group donor atom ligands, construct uranium-metal bonds, promote small molecule activation, and support single molecule magnetism, all of which exploit the steric, electronic, thermodynamic and kinetic features of the Tren ligand system. This Feature Article presents a current account of the chemistry of Tren-uranium complexes.

  10. Surface functionalized SiO2 nanoparticles with cationic polymers via the combination of mussel inspired chemistry and surface initiated atom transfer radical polymerization: Characterization and enhanced removal of organic dye.

    PubMed

    Huang, Qiang; Liu, Meiying; Mao, Liucheng; Xu, Dazhuang; Zeng, Guangjian; Huang, Hongye; Jiang, Ruming; Deng, Fengjie; Zhang, Xiaoyong; Wei, Yen

    2017-03-28

    Monodispersed SiO2 particles functionalized with cationic polymers poly-((3-acrylamidopropyl)trimethylammonium chloride) (PAPTCl) were prepared using mussel inspired surface modification strategy and surface initiated atom transfer radical polymerization (SI-ATRP). Fourier transform infrared spectroscopy, transmission electron microscope, thermogravimetric analysis, X-ray photoelectron spectroscopy, and zeta potential were employed to characterize these SiO2 samples. The adsorption performance of the functionalized SiO2 (donated as SiO2-PDA-PAPTCl) towards anionic organic dye Congo red (CR) was investigated to evaluate their potential environmental applications. We demonstrated that the surface of SiO2 particles can be successfully functionalized with cationic PAPTCl. The adsorption capability of as-prepared SiO2 was found to increases from 28.70 and 106.65mg/g after surface grafted with cationic polymers. The significant enhancement in the adsorption capability of SiO2-PDA-PAPTCl is mainly attributed to the introduction of cationic polymers. More importantly, this strategy is expected to be promising for fabrication of many other functional polymer nanocomposites for environmental applications due to the universality of mussel inspired chemistry and well designability and good monomer adaptability of SI-ATRP.

  11. Atmospheric chemistry of cis-CF3CHdbnd CHCl (HCFO-1233zd(Z)): Kinetics of the gas-phase reactions with Cl atoms, OH radicals, and O3

    NASA Astrophysics Data System (ADS)

    Andersen, Lene Løffler; Østerstrøm, Freja From; Sulbaek Andersen, Mads P.; Nielsen, Ole John; Wallington, Timothy J.

    2015-10-01

    FTIR smog chamber techniques were used to measure the rate coefficients k(Cl + cis-CF3CHdbnd CHCl) = (6.26 ± 0.84) × 10-11, k(OH + cis-CF3CHdbnd CHCl) = (8.45 ± 1.52) × 10-13, and k(O3 + cis-CF3CHdbnd CHCl) = (1.53 ± 0.12) × 10-21 cm3 molecule-1 s-1. The atmospheric lifetime of cis-CF3CHdbnd CHCl is determined by reaction with OH radicals and is estimated to be 14 days. The infrared spectrum of cis-CF3CHdbnd CHCl was recorded and the integrated absorption over the range 600-2000 cm-1 was measured to be (1.48 ± 0.07) × 10-16 cm molecule-1. Accounting for non-uniform horizontal and vertical mixing leads to a GWP100 value of essentially zero. Correction to account for unwanted Cl atom chemistry in our previous relative rate study of the kinetics of the reaction of OH with trans-CF3CHdbnd CHCl gives k(OH + trans-CF3CHdbnd CHCl) = (3.61 ± 0.37) × 10-13 cm3 molecule-1 s-1.

  12. Technetium chemistry

    SciTech Connect

    Burns, C.; Bryan, J.; Cotton, F.; Ott, K.; Kubas, G.; Haefner, S.; Barrera, J.; Hall, K.; Burrell, A.

    1996-04-01

    Technetium chemistry is a young and developing field. Despite the limited knowledge of its chemistry, technetium is the workhorse for nuclear medicine. Technetium is also a significant environmental concern because it is formed as a byproduct of nuclear weapons production and fission-power generators. Development of new technetium radio-pharmaceuticals and effective environmental control depends strongly upon knowledge of basic technetium chemistry. The authors performed research into the basic coordination and organometallic chemistry of technetium and used this knowledge to address nuclear medicine and environmental applications. This is the final report of a three-year Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  13. Atmospheric chemistry of isoflurane, desflurane, and sevoflurane: kinetics and mechanisms of reactions with chlorine atoms and OH radicals and global warming potentials.

    PubMed

    Sulbaek Andersen, Mads P; Nielsen, Ole J; Karpichev, Boris; Wallington, Timothy J; Sander, Stanley P

    2012-06-21

    The smog chamber/Fourier-transform infrared spectroscopy (FTIR) technique was used to measure the rate coefficients k(Cl + CF(3)CHClOCHF(2), isoflurane) = (4.5 ± 0.8) × 10(-15), k(Cl + CF(3)CHFOCHF(2), desflurane) = (1.0 ± 0.3) × 10(-15), k(Cl + (CF(3))(2)CHOCH(2)F, sevoflurane) = (1.1 ± 0.1) × 10(-13), and k(OH + (CF(3))(2)CHOCH(2)F) = (3.5 ± 0.7) × 10(-14) cm(3) molecule(-1) in 700 Torr of N(2)/air diluent at 295 ± 2 K. An upper limit of 6 × 10(-17) cm(3) molecule(-1) was established for k(Cl + (CF(3))(2)CHOC(O)F). The laser photolysis/laser-induced fluorescence (LP/LIF) technique was employed to determine hydroxyl radical rate coefficients as a function of temperature (241-298 K): k(OH + CF(3)CHFOCHF(2)) = (7.05 ± 1.80) × 10(-13) exp[-(1551 ± 72)/T] cm(3) molecule(-1); k(296 ± 1 K) = (3.73 ± 0.08) × 10(-15) cm(3) molecule(-1), and k(OH + (CF(3))(2)CHOCH(2)F) = (9.98 ± 3.24) × 10(-13) exp[-(969 ± 82)/T] cm(3) molecule(-1); k(298 ± 1 K) = (3.94 ± 0.30) × 10(-14) cm(3) molecule(-1). The rate coefficient of k(OH + CF(3)CHClOCHF(2), 296 ± 1 K) = (1.45 ± 0.16) × 10(-14) cm(3) molecule(-1) was also determined. Chlorine atoms react with CF(3)CHFOCHF(2) via H-abstraction to give CF(3)CFOCHF(2) and CF(3)CHFOCF(2) radicals in yields of approximately 83% and 17%. The major atmospheric fate of the CF(3)C(O)FOCHF(2) alkoxy radical is decomposition via elimination of CF(3) to give FC(O)OCHF(2) and is unaffected by the method used to generate the CF(3)C(O)FOCHF(2) radicals. CF(3)CHFOCF(2) radicals add O(2) and are converted by subsequent reactions into CF(3)CHFOCF(2)O alkoxy radicals, which decompose to give COF(2) and CF(3)CHFO radicals. In 700 Torr of air 82% of CF(3)CHFO radicals undergo C-C scission to yield HC(O)F and CF(3) radicals with the remaining 18% reacting with O(2) to give CF(3)C(O)F. Atmospheric oxidation of (CF(3))(2)CHOCH(2)F gives (CF(3))(2)CHOC(O)F in a molar yield of 93 ± 6% with CF(3)C(O)CF(3) and HCOF as minor products. The IR

  14. Sulfide bonded atomic radii

    NASA Astrophysics Data System (ADS)

    Gibbs, G. V.; Ross, N. L.; Cox, D. F.

    2017-03-01

    The bonded radius, r b(S), of the S atom, calculated for first- and second-row non-transition metal sulfide crystals and third-row transition metal sulfide molecules and crystals indicates that the radius of the sulfur atom is not fixed as traditionally assumed, but that it decreases systematically along the bond paths of the bonded atoms with decreasing bond length as observed in an earlier study of the bonded radius of the oxygen atom. When bonded to non-transition metal atoms, r b(S) decreases systematically with decreasing bond length from 1.68 Å when the S atom is bonded to the electropositive VINa atom to 1.25 Å when bonded to the more electronegative IVP atom. In the case of transition metal atoms, rb(S) likewise decreases with decreasing bond length from 1.82 Å when bonded to Cu and to 1.12 Å when bonded to Fe. As r b(S) is not fixed at a given value but varies substantially depending on the bond length and the field strength of the bonded atoms, it is apparent that sets of crystal and atomic sulfide atomic radii based on an assumed fixed radius for the sulfur atom are satisfactory in that they reproduce bond lengths, on the one hand, whereas on the other, they are unsatisfactory in that they fail to define the actual sizes of the bonded atoms determined in terms of the minima in the electron density between the atoms. As such, we urge that the crystal chemistry and the properties of sulfides be studied in terms of the bond lengths determined by adding the radii of either the atomic and crystal radii of the atoms but not in terms of existing sets of crystal and atomic radii. After all, the bond lengths were used to determine the radii that were experimentally determined, whereas the individual radii were determined on the basis of an assumed radius for the sulfur atom.

  15. Chemistry in 1876: The Way It Was

    ERIC Educational Resources Information Center

    Bernheim, Robert A.

    1976-01-01

    Provides a brief history of chemistry up to the founding of the American Chemical Society in 1876. Includes developments in the understanding of matter, phlogiston theory, atomic theory, and chemical reactions. (MLH)

  16. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Outlines laboratory procedures, demonstrations, teaching suggestions, and content information related to chemistry. Topics include polarizing power; calorimetry and momentum; microcomputers in school chemistry; a constant-volume dispenser for liquids, floating magnets, and crystal lattices; preparation of chromium; and solvent polarity and…

  17. Basic Chemistry for the Cement Industry.

    ERIC Educational Resources Information Center

    Turner, Mason

    This combined student workbook and instructor's guide contains nine units for inplant classes on basic chemistry for employees in the cement industry. The nine units cover the following topics: chemical basics; measurement; history of cement; atoms; bonding and chemical formulas; solids, liquids, and gases; chemistry of Portland cement…

  18. Nuclear Chemistry, Science (Experimental): 5316.62.

    ERIC Educational Resources Information Center

    Williams, Russell R.

    This nuclear chemistry module includes topics on atomic structure, instability of the nucleus, detection strengths and the uses of radioactive particles. Laboratory work stresses proper use of equipment and safe handling of radioactive materials. Students with a strong mathematics background may consider this course as advanced work in chemistry.…

  19. Surface chemistry of a Cu(I) beta-diketonate precursor and the atomic layer deposition of Cu{sub 2}O on SiO{sub 2} studied by x-ray photoelectron spectroscopy

    SciTech Connect

    Dhakal, Dileep; Waechtler, Thomas; Schulz, Stefan E.; Gessner, Thomas; Lang, Heinrich; Mothes, Robert; Tuchscherer, André

    2014-07-01

    The surface chemistry of the bis(tri-n-butylphosphane) copper(I) acetylacetonate, [({sup n}Bu{sub 3}P){sub 2}Cu(acac)] and the thermal atomic layer deposition (ALD) of Cu{sub 2}O using this Cu precursor as reactant and wet oxygen as coreactant on SiO{sub 2} substrates are studied by in-situ x-ray photoelectron spectroscopy (XPS). The Cu precursor was evaporated and exposed to the substrates kept at temperatures between 22 °C and 300 °C. The measured phosphorus and carbon concentration on the substrates indicated that most of the [{sup n}Bu{sub 3}P] ligands were released either in the gas phase or during adsorption. No disproportionation was observed for the Cu precursor in the temperature range between 22 °C and 145 °C. However, disproportionation of the Cu precursor was observed at 200 °C, since C/Cu concentration ratio decreased and substantial amounts of metallic Cu were present on the substrate. The amount of metallic Cu increased, when the substrate was kept at 300 °C, indicating stronger disproportionation of the Cu precursor. Hence, the upper limit for the ALD of Cu{sub 2}O from this precursor lies in the temperature range between 145 °C and 200 °C, as the precursor must not alter its chemical and physical state after chemisorption on the substrate. Five hundred ALD cycles with the probed Cu precursor and wet O{sub 2} as coreactant were carried out on SiO{sub 2} at 145 °C. After ALD, in-situ XPS analysis confirmed the presence of Cu{sub 2}O on the substrate. Ex-situ spectroscopic ellipsometry indicated an average film thickness of 2.5 nm of Cu{sub 2}O deposited with a growth per cycle of 0.05 Å/cycle. Scanning electron microscopy and atomic force microscopy (AFM) investigations depicted a homogeneous, fine, and granular morphology of the Cu{sub 2}O ALD film on SiO{sub 2}. AFM investigations suggest that the deposited Cu{sub 2}O film is continuous on the SiO{sub 2} substrate.

  20. Solar 'hot spots' are still hot

    NASA Technical Reports Server (NTRS)

    Bai, Taeil

    1990-01-01

    Longitude distributions of solar flares are not random but show evidence for active zones (or hot spots) where flares are concentrated. According to a previous study, two hot spots in the northern hemisphere, which rotate with a synodic period of about 26.72 days, produced the majority of major flares, during solar cycles 20 and 21. The more prominent of these two hot spots is found to be still active during the rising part of cycle 22, producing the majority of northern hemisphere major flares. The synodic rotation period of this hot spot is 26.727 + or - 0.007 days. There is also evidence for hot spots in the southern hemisphere. Two hot spots separated by 180 deg are found to rotate with a period of 29.407 days, with one of them having persisted in the same locations during cycles 19-22 and the other, during cycles 20-22.

  1. Single atom electrochemical and atomic analytics

    NASA Astrophysics Data System (ADS)

    Vasudevan, Rama

    In the past decade, advances in electron and scanning-probe based microscopies have led to a wealth of imaging and spectroscopic data with atomic resolution, yielding substantial insight into local physics and chemistry in a diverse range of systems such as oxide catalysts, multiferroics, manganites, and 2D materials. However, typical analysis of atomically resolved images is limited, despite the fact that image intensities and distortions of the atoms from their idealized positions contain unique information on the physical and chemical properties inherent to the system. Here, we present approaches to data mine atomically resolved images in oxides, specifically in the hole-doped manganite La5/8Ca3/8MnO3, on epitaxial films studied by in-situ scanning tunnelling microscopy (STM). Through application of bias to the STM tip, atomic-scale electrochemistry is demonstrated on the manganite surface. STM images are then further analyzed through a suite of algorithms including 2D autocorrelations, sliding window Fourier transforms, and others, and can be combined with basic thermodynamic modelling to reveal relevant physical and chemical descriptors including segregation energies, existence and strength of atomic-scale diffusion barriers, surface energies and sub-surface chemical species identification. These approaches promise to provide tremendous insights from atomically resolved functional imaging, can provide relevant thermodynamic parameters, and auger well for use with first-principles calculations to yield quantitative atomic-level chemical identification and structure-property relations. This research was sponsored by the Division of Materials Sciences and Engineering, BES, DOE. Research was conducted at the Center for Nanophase Materials Sciences, which also provided support and is a DOE Office of Science User Facility.

  2. Circumstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, Alfred E.; Huggins, Patrick J.

    1987-01-01

    The study of the outer envelopes of cool evolved stars has become an active area of research. The physical properties of CS envelopes are presented. Observations of many wavelengths bands are relevant. A summary of observations and a discussion of theoretical considerations concerning the chemistry are summarized. Recent theoretical considerations show that the thermal equilibrium model is of limited use for understanding the chemistry of the outer CS envelopes. The theoretical modeling of the chemistry of CS envelopes provides a quantitive test of chemical concepts which have a broader interest than the envelopes themselves.

  3. Molecular formation along the atmospheric mass loss of HD 209458b and similar Hot Jupiters

    NASA Astrophysics Data System (ADS)

    Pinotti, R.; Boechat-Roberty, H. M.

    2016-02-01

    The chemistry along the mass loss of Hot Jupiters is generally considered to be simple, consisting mainly of atoms, prevented from forming more complex species by the intense radiation field from their host stars. In order to probe the region where the temperature is low (T<2000 K), we developed a 1D chemical and photochemical reaction model of the atmospheric mass loss of HD 209458b, involving 56 species, including carbon chain and oxygen-bearing ones, interacting through 566 reactions. The simulation results indicate that simple molecules like OH+, H2O+ and H3O+ are formed inside the region, considering that residual H2 survives in the exosphere, a possibility indicated by recent observational work. The molecules are formed and destroyed within a radial distance of less than 107 km, but the estimated integrated column density of OH+, a potential tracer of H2, is high enough to allow detection, which, once achieved, would indicate a revision of chemical models of the upper atmosphere of Hot Jupiters. For low density Hot Jupiters receiving less intense XUV radiation from their host stars than HD 209458b, molecular species could conceivably be formed with a higher total column density.

  4. Catalytic Chemistry.

    ERIC Educational Resources Information Center

    Borer, Londa; And Others

    1996-01-01

    Describes an approach for making chemistry relevant to everyday life. Involves the study of kinetics using the decomposition of hydrogen peroxide by vegetable juices. Allows students to design and carry out experiments and then draw conclusions from their results. (JRH)

  5. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Describes equipment, activities, and experiments useful in chemistry instruction, including among others, a rapid method to determine available chlorine in bleach, simple flame testing apparatus, and a simple apparatus demonstrating the technique of flash photolysis. (SK)

  6. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1973

    1973-01-01

    Several ideas are proposed for chemistry teachers to try in their classrooms. Subjects included are polymerization of acrylate, polymerization of styrene, conductivity, pollution, preparation of chlorine, redox equations, chemiluminescence, and molecular sieves. (PS)

  7. Nuclear Chemistry.

    ERIC Educational Resources Information Center

    Chemical and Engineering News, 1979

    1979-01-01

    Provides a brief review of the latest developments in nuclear chemistry. Nuclear research today is directed toward increased activity in radiopharmaceuticals and formation of new isotopes by high-energy, heavy-ion collisions. (Author/BB)

  8. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1981

    1981-01-01

    Describes 13 activities, experiments and demonstrations, including the preparation of iron (III) chloride, simple alpha-helix model, investigating camping gas, redox reactions of some organic compounds, a liquid crystal thermometer, and the oxidation number concept in organic chemistry. (JN)

  9. Precolumbian Chemistry.

    ERIC Educational Resources Information Center

    Robinson, Janet Bond

    1995-01-01

    Describes the content and development of a curriculum that provides an approach to descriptive chemistry and the history of technology through consideration of the pottery, metallurgy, pigments, dyes, agriculture, and medicine of pre-Columbian people. (DDR)

  10. Have a Chemistry Field Day in Your Area.

    ERIC Educational Resources Information Center

    Mattson, Bruce M.; And Others

    1989-01-01

    Describes a full day of chemistry fun and competition for high school chemistry students. Notes teams have five students from each high school. Lists five competitive events for each team: titration, qualitative analysis, balancing equations, general chemistry quiz, and quantitative analysis with atomic absorption spectroscopy. (MVL)

  11. Atomic Chemistry in Turbulent Astrophysical Media

    NASA Astrophysics Data System (ADS)

    Scannapieco, Evan; Gray, William J.; Kasen, Daniel

    We decribe direct numerical simulations of turbulent astrophysical media exposed to the redshift zero metagalactic background. The simulations assume solar composition and explicitly track ionizations, recombinations, and ion-by-ion radiative cooling for hydrogen, helium, carbon, nitrogen, oxygen, neon, sodium, magnesium, silicon, and iron. Each run reaches a global steady state that not only depends on the ionization parameter, U, and mass-weighted average temperature, T MW, but also on the the one-dimensional turbulent velocity dispersion, σ1D. We carry out runs that span a grid of models with U ranging from 0 to 10-2 and σ1D ranging from 12 to 58 km s-1, and we vary the product of the mean density and the driving scale of the turbulence, nL, which determines the average temperature of the medium, from nL =1016 to nL =1020 cm-2. The turbulent Mach numbers of our simulations vary from M ~ 0.5 for the lowest velocity dispersions cases to M ~ 20 for the largest velocity dispersion cases. When M <~1, turbulent effects are minimal, and the species abundances are reasonably described as those of a uniform photoionized medium at a fixed temperature. On the other hand, when M >~ 1, dynamical simulations such as the ones carried out here, are required to accurately predict the species abundances. We gather our results into a set of tables, to allow future redshift zero studies of the intergalactic medium to account for turbulent effects. They are available at http://zofia.sese.asu.edu/~evan/turbspecies/ and will be updated as we increase our parameter study. These results are explained in more detailed in Gray, Scannapieco, & Kasen (2015), and Gray and Scannapieco (2015)

  12. Chemistry-Nuclear Chemistry Division. Progress report, October 1980-September 1981

    SciTech Connect

    Ryan, R.R.

    1982-05-01

    This report describes major progress in the research and development programs pursued by the Chemistry-Nuclear Chemistry Division of the Los Alamos National Laboratory during FY 1981. Topics covered include advanced analytical methods, atmospheric chemistry and transport, biochemistry, biomedical research, medical radioisotopes research, element migration and fixation, nuclear waste isolation research, inorganic and structural chemistry, isotope separation, analysis and applications, the newly established Nuclear Magnetic Resonance Center, atomic and molecular collisions, molecular spectroscopy, nuclear cosmochemistry, nuclear structure and reactions, pion charge exchange, radiochemical separations, theoretical chemistry, and unclassified weapons research.

  13. Stratospheric chemistry

    SciTech Connect

    Brune, W.H. )

    1991-01-01

    Advances in stratospheric chemistry made by investigators in the United States from 1987 to 1990 are reviewed. Subject areas under consideration include photochemistry of the polar stratosphere, photochemistry of the global stratosphere, and assessments of inadvertent modification of the stratosphere by anthropogenic activity. Particular attention is given to early observations and theories, gas phase chemistry, Antarctic observations, Arctic observations, odd-oxygen, odd-hydrogen, odd-nitrogen, halogens, aerosols, modeling of stratospheric ozone, and reactive nitrogen effects.

  14. Chemistry and evolution of Titan's atmosphere

    NASA Technical Reports Server (NTRS)

    Strobel, D. F.

    1982-01-01

    The chemistry and evolution of Titan's atmosphere are reviewed, in light of the scientific findings from the Voyager mission. It is argued that the present N2 atmosphere may be Titan's initial atmosphere, rather than one photochemically derived from an original NH3 atmosphere. The escape rate of hydrogen from Titan is controlled by photochemical production from hydrocarbons. CH4 is irreversibly converted to less hydrogen-rich hydrocarbons, which over geologic time accumulate on the surface to a layer thickness of about 0.5 km. Magnetospheric electrons interacting with Titan's exosphere may dissociate enough N2 into hot, escaping N atoms to remove about 0.2 of Titan's present atmosphere over geologic time. The energy dissipation of magnetospheric electrons exceeds solar EUV energy deposition in Titan's atmosphere by an order of magnitude, and is the principal driver of nitrogen photochemistry. The environmental conditions in Titan's upper atmosphere are favorable to building up complex molecules, particularly in the north polar cap region.

  15. One century of aryne chemistry.

    PubMed

    Wenk, Hans Henning; Winkler, Michael; Sander, Wolfram

    2003-02-03

    Arynes, which are formally derived from aromatic rings by abstraction of two hydrogen atoms, have been a focus of organic chemistry for 100 years. In contrast to ortho-benzyne, which is mentioned in almost every introductory textbook on organic reaction mechanisms as a reactive intermediate of nucleophilic aromatic substitution, the meta and para isomers were regarded as rather exotic until recently. This situation has changed dramatically with the discovery of the enediyne antibiotics, a promising new class of antitumor drugs, and has aroused the interest of research groups from all branches of chemistry. Nowadays, arynes and related compounds are among the most intensively studied systems in chemistry. However, many aspects of the chemistry of these reactive intermediates are not well understood yet. In this review we outline the historical developement with an emphasis on recent progress in this challenging field of research.

  16. 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.

  17. Hot Flow Anomalies at Venus

    NASA Technical Reports Server (NTRS)

    Collinson, G. A.; Sibeck, David Gary; Boardsen, Scott A.; Moore, Tom; Barabash, S.; Masters, A.; Shane, N.; Slavin, J.A.; Coates, A.J.; Zhang, T. L.; Sarantos, M.

    2012-01-01

    We present a multi-instrument study of a hot flow anomaly (HFA) observed by the Venus Express spacecraft in the Venusian foreshock, on 22 March 2008, incorporating both Venus Express Magnetometer and Analyzer of Space Plasmas and Energetic Atoms (ASPERA) plasma observations. Centered on an interplanetary magnetic field discontinuity with inward convective motional electric fields on both sides, with a decreased core field strength, ion observations consistent with a flow deflection, and bounded by compressive heated edges, the properties of this event are consistent with those of HFAs observed at other planets within the solar system.

  18. Sustainable chemistry metrics.

    PubMed

    Calvo-Flores, Francisco García

    2009-01-01

    Green chemistry has developed mathematical parameters to describe the sustainability of chemical reactions and processes, in order to quantify their environmental impact. These parameters are related to mass and energy magnitudes, and enable analyses and numerical diagnoses of chemical reactions. The environmental impact factor (E factor), atom economy, and reaction mass efficiency have been the most influential metrics, and they are interconnected by mathematical equations. The ecodesign concept must also be considered for complex industrial syntheses, as a part of the sustainability of manufacturing processes. The aim of this Concept article is to identify the main parameters for evaluating undesirable environmental consequences.

  19. Ion chemistry in space.

    PubMed

    Larsson, M; Geppert, W D; Nyman, G

    2012-06-01

    We review the gas-phase chemistry in extraterrestrial space that is driven by reactions with atomic and molecular ions. Ions are ubiquitous in space and are potentially responsible for the formation of increasingly complex interstellar molecules. Until recently, positively charged atoms and molecules were the only ions known in space; however, this situation has changed with the discovery of various molecular anions. This review covers not only the observation, distribution and reactions of ions in space, but also laboratory-based experimental and theoretical methods for studying these ions. Recent results from space-based instruments, such as those on the Cassini-Huygens space mission and the Herschel Space Observatory, are highlighted.

  20. Atmospheric Pseudohalogen Chemistry

    NASA Technical Reports Server (NTRS)

    Lary, David John

    2004-01-01

    Hydrogen cyanide is not usually considered in atmospheric chemical models. The paper presents three reasons why hydrogen cyanide is likely to be significant for atmospheric chemistry. Firstly, HCN is a product and marker of biomass burning. Secondly, it is also likely that lightning is producing HCN, and as HCN is sparingly soluble it could be a useful long-lived "smoking gun" marker of lightning activity. Thirdly, the chemical decomposition of HCN leads to the production of small amounts of the cyanide (CN) and NCO radicals. The NCO radical can be photolyzed in the visible portion of the spectrum yielding nitrogen atoms (N). The production of nitrogen atoms is significant as it leads to the titration of total nitrogen from the atmosphere via N+N->N2, where N2 is molecular nitrogen.

  1. Really Hot Stars

    NASA Astrophysics Data System (ADS)

    2003-04-01

    Spectacular VLT Photos Unveil Mysterious Nebulae Summary Quite a few of the most beautiful objects in the Universe are still shrouded in mystery. Even though most of the nebulae of gas and dust in our vicinity are now rather well understood, there are some which continue to puzzle astronomers. This is the case of a small number of unusual nebulae that appear to be the subject of strong heating - in astronomical terminology, they present an amazingly "high degree of excitation". This is because they contain significant amounts of ions, i.e., atoms that have lost one or more of their electrons. Depending on the atoms involved and the number of electrons lost, this process bears witness to the strength of the radiation or to the impact of energetic particles. But what are the sources of that excitation? Could it be energetic stars or perhaps some kind of exotic objects inside these nebulae? How do these peculiar objects fit into the current picture of universal evolution? New observations of a number of such unusual nebulae have recently been obtained with the Very Large Telescope (VLT) at the ESO Paranal Observatory (Chile). In a dedicated search for the origin of their individual characteristics, a team of astronomers - mostly from the Institute of Astrophysics & Geophysics in Liège (Belgium) [1] - have secured the first detailed, highly revealing images of four highly ionized nebulae in the Magellanic Clouds, two small satellite galaxies of our home galaxy, the Milky Way, only a few hundred thousand light-years away. In three nebulae, they succeeded in identifying the sources of energetic radiation and to eludicate their exceptional properties: some of the hottest, most massive stars ever seen, some of which are double. With masses of more than 20 times that of the Sun and surface temperatures above 90 000 degrees, these stars are truly extreme. PR Photo 09a/03: Nebula around the hot star AB7 in the SMC. PR Photo 09b/03: Nebula near the hot Wolf-Rayet star BAT99

  2. Modelling Hot Air Balloons.

    ERIC Educational Resources Information Center

    Brimicombe, M. W.

    1991-01-01

    A macroscopic way of modeling hot air balloons using a Newtonian approach is presented. Misleading examples using a car tire and the concept of hot air rising are discussed. Pressure gradient changes in the atmosphere are used to explain how hot air balloons work. (KR)

  3. Hot Weather Tips

    MedlinePlus

    ... FCA - A A + A You are here Home HOT Weather Tips Printer-friendly version We all suffer in hot weather. However, for elderly and disabled people and ... stress and following these tips for dealing with hot weather. Wear cool clothing: See that the person ...

  4. Using Computational Chemistry Activities to Promote Learning and Retention in a Secondary School General Chemistry Setting

    ERIC Educational Resources Information Center

    Ochterski, Joseph W.

    2014-01-01

    This article describes the results of using state-of-the-art, research-quality software as a learning tool in a general chemistry secondary school classroom setting. I present three activities designed to introduce fundamental chemical concepts regarding molecular shape and atomic orbitals to students with little background in chemistry, such as…

  5. Hot carbon corona in Mars' upper thermosphere and exosphere: 1. Mechanisms and structure of the hot corona for low solar activity at equinox

    NASA Astrophysics Data System (ADS)

    Lee, Yuni; Combi, Michael R.; Tenishev, Valeriy; Bougher, Stephen W.

    2014-05-01

    Two important source reactions for hot atomic carbon on Mars are photodissociation of CO and dissociative recombination of CO+; both reactions are highly sensitive to solar activity and occur mostly deep in the dayside thermosphere. The production of energetic particles results in the formation of hot coronae that are made up of neutral atoms including hot carbon. Some of these atoms are on ballistic trajectories and return to the thermosphere, and others escape. Understanding the physics in this region requires modeling that captures the complicated dynamics of hot atoms in 3-D. This study evaluates the carbon atom inventory by investigating the production and distribution of energetic carbon atoms using the full 3-D atmospheric input. The methodology and details of the hot atomic carbon model calculation are given, and the calculated total global escape of hot carbon from the assumed dominant photochemical processes at a fixed condition, equinox (Ls = 180°), and low solar activity (F10.7 = 70 at Earth) are presented. To investigate the dynamics of these energetic neutral atoms, we have coupled a self-consistent 3-D global kinetic model, the Adaptive Mesh Particle Simulator, with a 3-D thermosphere/ionosphere model, the Mars Thermosphere General Circulation Model to provide a self-consistent global description of the hot carbon corona in the upper thermosphere and exosphere. The spatial distributions of density and temperature and atmospheric loss are simulated for the case considered.

  6. Chemistry in one dimension.

    PubMed

    Loos, Pierre-François; Ball, Caleb J; Gill, Peter M W

    2015-02-07

    We report benchmark results for one-dimensional (1D) atomic and molecular systems interacting via the Coulomb operator |x|(-1). Using various wavefunction-type approaches, such as Hartree-Fock theory, second- and third-order Møller-Plesset perturbation theory and explicitly correlated calculations, we study the ground state of atoms with up to ten electrons as well as small diatomic and triatomic molecules containing up to two electrons. A detailed analysis of the 1D helium-like ions is given and the expression of the high-density correlation energy is reported. We report the total energies, ionization energies, electron affinities and other physical properties of the many-electron 1D atoms and, using these results, we construct the 1D analog of Mendeleev's periodic table. We find that the 1D periodic table contains only two groups: the alkali metals and the noble gases. We also calculate the dissociation curves of several 1D diatomics and study the chemical bond in H2(+), HeH(2+), He2(3+), H2, HeH(+) and He2(2+). We find that, unlike their 3D counterparts, 1D molecules are primarily bound by one-electron bonds. Finally, we study the chemistry of H3(+) and we discuss the stability of the 1D polymer resulting from an infinite chain of hydrogen atoms.

  7. Polymer Chemistry

    NASA Technical Reports Server (NTRS)

    Williams, Martha; Roberson, Luke; Caraccio, Anne

    2010-01-01

    This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.

  8. Chemistry Experiments

    NASA Technical Reports Server (NTRS)

    Brasseur, Guy; Remsberg, Ellis; Purcell, Patrick; Bhatt, Praful; Sage, Karen H.; Brown, Donald E.; Scott, Courtney J.; Ko, Malcolm K. W.; Tie, Xue-Xi; Huang, Theresa

    1999-01-01

    The purpose of the chemistry component of the model comparison is to assess to what extent differences in the formulation of chemical processes explain the variance between model results. Observed concentrations of chemical compounds are used to estimate to what degree the various models represent realistic situations. For readability, the materials for the chemistry experiment are reported in three separate sections. This section discussed the data used to evaluate the models in their simulation of the source gases and the Nitrogen compounds (NO(y)) and Chlorine compounds (Cl(y)) species.

  9. Modeling of Fuel Film Cooling on Chamber Hot Wall

    DTIC Science & Technology

    2013-12-01

    causes large variations in fluid properties, reaction rates and composition. The detailed chemistry of hydrocarbon combustion, pyrolysis, soot...14068 14. ABSTRACT A numerical model is constructed to simulate hydrocarbon fuel film cooling of the hot-gas side of liquid rocket engine chamber walls...Laboratory Edwards AFB, CA ABSTRACT A numerical model is constructed to simulate hydrocarbon fuel film cooling of the hot-gas side of liquid rocket

  10. Interstellar Grain Surface Chemistry

    NASA Technical Reports Server (NTRS)

    Tielens, Alexander G. G. M.; Cuzzi, Jeffrey N. (Technical Monitor)

    1995-01-01

    Chemistry on grain surfaces plays an Important role in the formation of interstellar Ices, It can also influence the composition of the gas phase through outgassing near luminous, newly formed stars. This paper reviews the chemical processes taking place on Interstellar grain surfaces with the emphasis on those transforming CO into other hydrocarbons. At low, molecular cloud temperatures (approximately equal to 10K), physisorption processes dominate interstellar grain surface chemistry and GO is largely hydrogenated through reactions with atomic H and oxidized through reactions with atomic O. The former will lead to the formation of H2CO and CH3OH ices, while the latter results in CO2 ice. The observational evidence for these ices in molecular clouds will be discussed. Very close to protostars, the gas and grain temperatures are much higher (approximately equal to 500K) and chemisorption processes, including catalytic surface reactions, becomes important. This will be illustrated based upon our studies of the Fischer-Tropsch Synthesis of CH4 from CO on metallic surfaces. Likely, this process has played an important role in the early solar nebula. Observational consequences will be pointed out.

  11. Reviews Book: Sustainable Energy—Without the Hot Air Equipment: Doppler Effect Unit Book: The Physics of Rugby Book: Plastic Fantastic: How the Biggest Fraud in Physics Shook the Scientific World Equipment: Brunel Eyecam Equipment: 200x Digital Microscope Book: The Atom and the Apple: Twelve Tales from Contemporary Physics Book: Physics 2 for OCR Web Watch

    NASA Astrophysics Data System (ADS)

    2009-09-01

    WE RECOMMEND Sustainable Energy—Without the Hot Air This excellent book makes sense of energy facts and figures Doppler Effect Unit Another simple, effective piece of kit from SEP Plastic Fantastic: How the Biggest Fraud in Physics Shook the Scientific World Intriguing and unique write-up of an intellectual fraud case Brunel Eyecam An affordable digital eyepiece for your microscope 200x Digital Microscope An adjustable digital flexcam for classroom use The Atom and the Apple: Twelve Tales from Contemporary Physics A fascinating round-up of the recent history of physics WORTH A LOOK The Physics of Rugby Book uses sport analogy and context to teach physics concepts Physics 2 for OCR Essential textbook for the course but otherwise pointless WEB WATCH Some free teaching materials are better than those you'd pay for

  12. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1980

    1980-01-01

    Presents 12 chemistry notes for British secondary school teachers. Some of these notes are: (1) a simple device for testing pH-meters; (2) portable fume cupboard safety screen; and (3) Mass spectroscopy-analysis of a mass peak. (HM)

  13. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1976

    1976-01-01

    Describes several chemistry projects, including solubility, formula for magnesium oxide, dissociation of dinitrogen tetroxide, use of 1-chloro-2, 4-dinitrobenzene, migration of ions, heats of neutralizations, use of pocket calculators, sonic cleaning, oxidation states of manganese, and cell potentials. Includes an extract from Chemical Age on…

  14. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the alkylation of aniline, the preparation and properties of perbromate, using scrap copper in chemistry instruction, a safe method of burning hydrogen, and the use of an ion-charge model as an alternative to the mole concept in secondary school instruction. (AL)

  15. Chemistry Notes

    ERIC Educational Resources Information Center

    School Science Review, 1972

    1972-01-01

    Short articles on the kinetics of the hydrogen peroxide-iodide ion reaction, simulation of fluidization catalysis, the use of Newman projection diagrams to represent steric relationships in organic chemistry, the use of synthetic substrates for proteolytic enzyme reactions, and two simple clock reactions"--hydrolysis of halogenoalkanes and…

  16. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents chemistry experiments, laboratory procedures, demonstrations, teaching suggestions, and classroom materials/activities. These include: game for teaching ionic formulas; method for balancing equations; description of useful redox series; computer programs (with listings) for water electrolysis simulation and for determining chemical…

  17. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1983

    1983-01-01

    Presents chemistry experiments, laboratory procedures, demonstrations, and classroom materials/activities. These include: experiments on colloids, processing of uranium ore, action of heat on carbonates; color test for phenols and aromatic amines; solvent properties of non-electrolytes; stereoscopic applications/methods; a valency balance;…

  18. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents procedures, experiments, demonstrations, teaching suggestions, and information on a variety of chemistry topics including, for example, inert gases, light-induced reactions, calculators, identification of substituted acetophenones, the elements, analysis of copper minerals, extraction of metallic strontium, equilibrium, halogens, and…

  19. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes some laboratory apparatus, chemistry experiments and demonstrations, such as a Kofler block melting point apparatus, chromatographic investigation of the phosphoric acid, x-ray diffraction, the fountain experiment, endothermic sherbet, the measurement of viscosity, ionization energies and electronic configurations. (GA)

  20. Index to the Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This index was prepared for the set of 51 booklets in the "Understanding the Atom Series" published by the U. S. Atomic Energy Commission for high school students and their teachers. In addition to the index, a complete list of the series is provided in which the booklets are grouped into the categories of physics, chemistry, biology, nuclear…

  1. Hot techniques for tonsillectomy.

    PubMed

    Scott, A

    2006-11-01

    (1) Some patients experience pain and bleeding after a standard or extracapsular tonsillectomy. (2) Evidence suggests that none of the hot tonsillectomy techniques offers concurrent reductions in intra- and post-operative bleeding and pain, compared with traditional cold-steel dissection with packs or ties. (3) Little information is available on the cost effectiveness of the hot techniques. (4) Diathermy is likely to remain the most commonly practised hot tonsillectomy technique.

  2. The nature of hot electrons generated by exothermic catalytic reactions

    NASA Astrophysics Data System (ADS)

    Nedrygailov, Ievgen I.; Park, Jeong Young

    2016-02-01

    We review recent progress in studies of the nature of hot electrons generated in metal nanoparticles and thin films on oxide supports and their role in heterogeneous catalysis. We show that the creation of hot electrons and their transport across the metal-oxide interface is an inherent component of energy dissipation accompanying catalytic and photocatalytic surface reactions. The intensity of hot electron flow is well correlated with turnover rates of corresponding reactions. We also show that controlling the flow of hot electrons crossing the interface can lead to the control of chemical reaction rates. Finally, we discuss perspectives of hot-electron-mediated surface chemistry that promise the capability to drive catalytic reactions with enhanced efficiency and selectivity through electron-mediated, non-thermal processes.

  3. Atomic polarizabilities

    SciTech Connect

    Safronova, M. S.; Mitroy, J.; Clark, Charles W.; Kozlov, M. G.

    2015-01-22

    The atomic dipole polarizability governs the first-order response of an atom to an applied electric field. Atomic polarization phenomena impinge upon a number of areas and processes in physics and have been the subject of considerable interest and heightened importance in recent years. In this paper, we will summarize some of the recent applications of atomic polarizability studies. A summary of results for polarizabilities of noble gases, monovalent, and divalent atoms is given. The development of the CI+all-order method that combines configuration interaction and linearized coupled-cluster approaches is discussed.

  4. Polynitrogen Chemistry

    DTIC Science & Technology

    2013-09-24

    4N3, while As(C6H5)4N3 presents a borderline case.23 Theoretical Calculations High-level theoretical studies of nitrogen, oxygen, selenium and...Dixon, D. A.; Christe, K. O., "Thermochemical Properties of Selenium Fluorides, Oxides, and Oxofluorides," Inorganic Chemistry, p. 2472, vol. 51, (2012...34Thermochemical Properties of Selenium Fluorides, Oxides, and Oxofluorides," Inorg. Chem., p. 2472, vol. 51, (2012). 26. K. S. Thanthiriwatte, M. Vasiliu

  5. Atom mapping with constraint programming.

    PubMed

    Mann, Martin; Nahar, Feras; Schnorr, Norah; Backofen, Rolf; Stadler, Peter F; Flamm, Christoph

    2014-01-01

    Chemical reactions are rearrangements of chemical bonds. Each atom in an educt molecule thus appears again in a specific position of one of the reaction products. This bijection between educt and product atoms is not reported by chemical reaction databases, however, so that the "Atom Mapping Problem" of finding this bijection is left as an important computational task for many practical applications in computational chemistry and systems biology. Elementary chemical reactions feature a cyclic imaginary transition state (ITS) that imposes additional restrictions on the bijection between educt and product atoms that are not taken into account by previous approaches. We demonstrate that Constraint Programming is well-suited to solving the Atom Mapping Problem in this setting. The performance of our approach is evaluated for a manually curated subset of chemical reactions from the KEGG database featuring various ITS cycle layouts and reaction mechanisms.

  6. Cavity enhanced atomic magnetometry.

    PubMed

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer

    2015-10-20

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations.

  7. Cavity enhanced atomic magnetometry

    PubMed Central

    Crepaz, Herbert; Ley, Li Yuan; Dumke, Rainer

    2015-01-01

    Atom sensing based on Faraday rotation is an indispensable method for precision measurements, universally suitable for both hot and cold atomic systems. Here we demonstrate an all-optical magnetometer where the optical cell for Faraday rotation spectroscopy is augmented with a low finesse cavity. Unlike in previous experiments, where specifically designed multipass cells had been employed, our scheme allows to use conventional, spherical vapour cells. Spherical shaped cells have the advantage that they can be effectively coated inside with a spin relaxation suppressing layer providing long spin coherence times without addition of a buffer gas. Cavity enhancement shows in an increase in optical polarization rotation and sensitivity compared to single-pass configurations. PMID:26481853

  8. Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry

    PubMed Central

    2016-01-01

    Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of ‘polar ice’ mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm ‘carbonyl’ absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes. PMID:28083090

  9. Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry

    NASA Astrophysics Data System (ADS)

    Jones, A. P.

    2016-12-01

    Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of `polar ice' mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm `carbonyl' absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes.

  10. Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry.

    PubMed

    Jones, A P

    2016-12-01

    Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of 'polar ice' mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm 'carbonyl' absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes.

  11. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1982

    1982-01-01

    Presents laboratory procedures, classroom materials/activities, and demonstrations, including: vapor pressure of liquid mixtures and Raoult's law; preparation/analysis of transition metal complexes of ethylammonium chloride; atomic structure display using a ZX81 (includes complete program listing); "pop-up" models of molecules and ions;…

  12. Microscale Effects from Global Hot Plasma Imagery

    NASA Technical Reports Server (NTRS)

    Moore, T. E.; Fok, M.-C.; Perez, J. D.; Keady, J. P.

    1995-01-01

    We have used a three-dimensional model of recovery phase storm hot plasmas to explore the signatures of pitch angle distributions (PADS) in global fast atom imagery of the magnetosphere. The model computes mass, energy, and position-dependent PADs based on drift effects, charge exchange losses, and Coulomb drag. The hot plasma PAD strongly influences both the storm current system carried by the hot plasma and its time evolution. In turn, the PAD is strongly influenced by plasma waves through pitch angle diffusion, a microscale effect. We report the first simulated neutral atom images that account for anisotropic PADs within the hot plasma. They exhibit spatial distribution features that correspond directly to the PADs along the lines of sight. We investigate the use of image brightness distributions along tangent-shell field lines to infer equatorial PADS. In tangent-shell regions with minimal spatial gradients, reasonably accurate PADs are inferred from simulated images. They demonstrate the importance of modeling PADs for image inversion and show that comparisons of models with real storm plasma images will reveal the global effects of these microscale processes.

  13. The Earth's Hot Spots.

    ERIC Educational Resources Information Center

    Vink, Gregory E.; And Others

    1985-01-01

    Hot spots are isolated areas of geologic activity where volcanic eruptions, earthquakes, and upwelling currents occur far from plate boundaries. These mantle plumes are relatively stable and crustal plates drift over them. The nature and location of hot spots (with particular attention to the Hawaiian Islands and Iceland) are discussed. (DH)

  14. Hot Spot at Yellowstone

    ERIC Educational Resources Information Center

    Dress, Abby

    2005-01-01

    Within this huge national park (over two million acres spread across Wyoming, Montana, and Idaho) are steaming geysers, hot springs, bubbling mudpots, and fumaroles, or steam vents. Drives on the main roads of Yellowstone take tourists through the major hot attractions, which also include Norris Geyser Basin, Upper and Lower Geyser Basin, West…

  15. Women's Fields of Chemistry: 1900--1920

    NASA Astrophysics Data System (ADS)

    Rayner-Canham, M. F.; Rayner-Canham, G. W.

    1996-02-01

    In the first two decades of this century, there was a significant opposition to women in chemistry. However, there were three areas in which women played a very significant role: atomic science, biochemistry, and crystallography. In this paper, we provide suggestions for the appeal of these fields which were all on the fringes of mainstream chemistry. The role of the supervisor/mentor may have been of great importance, a view supported by accounts of the personalities of the Braggs in crystallography, of Hopkins in biochemistry, and of Rutherford in atom science.

  16. Lower-Secondary Introductory Chemistry Course: A Novel Approach Based on Science-Education Theories, with Emphasis on the Macroscopic Approach, and the Delayed Meaningful Teaching of the Concepts of Molecule and Atom

    ERIC Educational Resources Information Center

    Tsaparlis, Georgios; Kolioulis, Dimitrios; Pappa, Eleni

    2010-01-01

    We present a programme for a novel introductory lower-secondary chemistry course (seventh or eighth grade) that aims at the application of theories of science education, and in particular of conceptual/meaningful learning and of teaching methodology that encourages active and inquiry forms of learning The approach is rigorous with careful use of…

  17. Spin-polarized lithium diffusion in a glass hot-vapor cell

    NASA Astrophysics Data System (ADS)

    Ishikawa, Kiyoshi

    2016-08-01

    We report diffusion coefficients of optically pumped lithium atoms in helium buffer gas. The free-induction decay and the spin-echo signals of ground-state atoms were optically detected in an external magnetic field with the addition of field gradient. Lithium hot vapor was produced in a borosilicate-glass cell at a temperature between 290 and 360°C. The simple setup using the glass cells enabled lithium atomic spectroscopy in a similar way to other alkali-metal atoms and study of the collisional properties of lithium atoms in a hot-vapor phase.

  18. (Pesticide chemistry)

    SciTech Connect

    Barnthouse, L.W.

    1990-09-04

    This report summarizes a trip by L. W. Barnthouse of the Environmental Sciences Division (ESD), Oak Ridge National Laboratory (ORNL), to Hamburg, Federal Republic of Germany (FRG), where he participated in the 7th International Congress of Pesticide Chemistry. He chaired a workshop on experimental systems for determining effects of pesticides on nontarget organisms and gave an oral presentation at a symposium on pesticide risk assessment. Before returning to the United States, Dr. Barnthouse visited the Netherlands Institute for Sea Research in Texel, the Netherlands.

  19. Intermediate-energy nuclear chemistry workshop

    SciTech Connect

    Butler, G.W.; Giesler, G.C.; Liu, L.C.; Dropesky, B.J.; Knight, J.D.; Lucero, F.; Orth, C.J.

    1981-05-01

    This report contains the proceedings of the LAMPF Intermediate-Energy Nuclear Chemistry Workshop held in Los Alamos, New Mexico, June 23-27, 1980. The first two days of the Workshop were devoted to invited review talks highlighting current experimental and theoretical research activities in intermediate-energy nuclear chemistry and physics. Working panels representing major topic areas carried out indepth appraisals of present research and formulated recommendations for future research directions. The major topic areas were Pion-Nucleus Reactions, Nucleon-Nucleus Reactions and Nuclei Far from Stability, Mesonic Atoms, Exotic Interactions, New Theoretical Approaches, and New Experimental Techniques and New Nuclear Chemistry Facilities.

  20. Top Down Chemistry Versus Bottom up Chemistry

    NASA Astrophysics Data System (ADS)

    Oka, Takeshi; Witt, Adolf N.

    2016-06-01

    The idea of interstellar top down chemistry (TDC), in which molecules are produced from decomposition of larger molecules and dust in contrast to ordinary bottom up chemistry (BUC) in which molecules are produced synthetically from smaller molecules and atoms in the ISM, has been proposed in the chemistry of PAH and carbon chain molecules both for diffusea,c and dense cloudsb,d. A simple and natural idea, it must have occurred to many people and has been in the air for sometime. The validity of this hypothesis is apparent for diffuse clouds in view of the observed low abundance of small molecules and its rapid decrease with molecular size on the one hand and the high column densities of large carbon molecules demonstrated by the many intense diffuse interstellar bands (DIBs) on the other. Recent identification of C60^+ as the carrier of 5 near infrared DIBs with a high column density of 2×1013 cm-2 by Maier and others confirms the TDC. This means that the large molecules and dust produced in the high density high temperature environment of circumstellar envelopes are sufficiently stable to survive decompositions due to stellar UV radiaiton, cosmic rays, C-shocks etc. for a long time (≥ 10^7 year) of their migration to diffuse clouds and seems to disagree with the consensus in the field of interstellar grains. The stability of molecules and aggregates in the diffuse interstellar medium will be discussed. Duley, W. W. 2006, Faraday Discuss. 133, 415 Zhen,J., Castellanos, P., Paardekooper, D. M., Linnartz, H., Tielens, A. G. G. M. 2014, ApJL, 797, L30 Huang, J., Oka, T. 2015, Mol. Phys. 113, 2159 Guzmán, V. V., Pety, J., Goicoechea, J. R., Gerin, M., Roueff, E., Gratier, P., Öberg, K. I. 2015, ApJL, 800, L33 L. Ziurys has sent us many papers beginning Ziurys, L. M. 2006, PNAS 103, 12274 indicating she had long been a proponent of the idea. Campbell, E. K., Holz, M., Maier, J. P., Gerlich, D., Walker, G. A. H., Bohlender, D, 2016, ApJ, in press Draine, B. T. 2003

  1. Chemistry of the actinide elements. Second edition

    SciTech Connect

    Katz, J.J.; Seaborg, G.T.; Morss, L.R.

    1987-01-01

    This is an exhaustive, updated discourse on the chemistry of Actinides, Volume 1 contains a systematic coverage of the elements Ac, Th, Pa, U, Np, and Pu, which constitutes Part 1 of the work. The characterization of each element is discussed in terms of its nuclear properties, occurrence, preparation, atomic and metallic properties, chemistry of specific compounds, and solution chemistry. The first part of Volume 2 follows the same format as Volume 1 but is confined to the elements Am, Cm, Bk, Cf, and Es, plus a more condensed coverage of the Transeinsteinium elements (Fm, Md, No, Lw, and 104-109). Part 2 of this volume is devoted to a discussion of the actinide elements in general, with a specific focus on electronic spectra, thermodynamic and magnetic properties, the metallic state, structural chemistry, solution kinetics, organometallic chemistry for /sigma/- and /pi/-bonded compounds, and some concluding remarks on the superheavy elements.

  2. Preliminary geothermal investigations at Manley Hot Springs, Alaska

    SciTech Connect

    East, J.

    1982-04-01

    Manley Hot Springs is one of several hot springs which form a belt extending from the Seward Peninsula to east-central Alaska. All of the hot springs are low-temperature, water-dominated geothermal systems, having formed as the result of circulation of meteoric water along deepseated fractures near or within granitic intrusives. Shallow, thermally disturbed ground at Manley Hot Springs constitutes an area of 1.2 km by 0.6 km along the lower slopes of Bean Ridge on the north side of the Tanana Valley. This area includes 32 springs and seeps and one warm (29.1/sup 0/C) well. The hottest springs range in temperature from 61/sup 0/ to 47/sup 0/C and are presently utilized for space heating and irrigation. This study was designed to characterize the geothermal system present at Manley Hot Springs and delineate likely sites for geothermal drilling. Several surveys were conducted over a grid system which included shallow ground temperature, helium soil gas, mercury soil and resistivity surveys. In addition, a reconnaissance ground temperature survey and water chemistry sampling program was undertaken. The preliminary results, including some preliminary water chemistry, show that shallow hydrothermal activity can be delineated by many of the surveys. Three localities are targeted as likely geothermal well sites, and a model is proposed for the geothermal system at Manley Hot Springs.

  3. Presidential Green Chemistry Challenge: 1997 Greener Synthetic Pathways Award

    EPA Pesticide Factsheets

    Presidential Green Chemistry Challenge 1997 award winner, BHC Company, developed a highly atom-efficient method to make ibuprofen, a common painkiller, using three catalytic steps instead of six stoichiometric ones.

  4. High energy halogen atom reactions activated by nuclear transformations. Progress report, February 15, 1979-February 14, 1980

    SciTech Connect

    Rack, E.P.

    1980-02-01

    The program consists of six interrelated areas: (1) Reactions of iodine with alkenes and alkynes activated by radiative neutron capture and isomeric transition in low pressure gaseous systems employing additives and rare gas moderators, high pressure, and liquid systems. Special attention was given to the reactivity of excited complex formation and structural effects of electrophilic iodine attack on various pi-bond systems. (2) The gas-to-condensed phase transition in halogen high energy chemistry. Current interest involves the study of caging effects of an ice lattice on recombination reactions involving neutron-irradiated frozen aqueous solutions of halogenated organic and biochemical solutes in order to learn more about kinetic energy effects, halogen size, solute molecule size, steric effects and hydrogen bonding within an ice lattice cage. (3) Systematics of halogen hot atom reactions. The reactions of /sup 80m/Br, /sup 80/Br, /sup 82m/Br + /sup 82/Br, /sup 82/Br, /sup 82/Br, /sup 128/I, /sup 130/I, and /sup 130m/I + /sup 130/I activated by radiative neutron capture or isomeric transition in hydrocarbons and halo-substituted alkanes in low pressure and high pressure gaseous systems employing additives and rare gas moderators are currently being studied. (4) Mathematical and computer simulation studies of caging events within an ice lattice are being investigated. (5) At Brookhaven National Laboratory, cyclotron-produced chlorine and fluorine hot atoms substitution reactions with molecules possessing a single chiral center are under investigation to determine the role of hot atom kinetic energy, halogen atom, enantioner structure, steric effects and phase on the extent of substitution by retention of configuration or by Walden inversion. (6) The applications of high energy techniques and concepts to neutron activation analysis for trace element determinations in biological systems was continued.

  5. Probing cis-trans isomerization in the S{sub 1} state of C{sub 2}H{sub 2} via H-atom action and hot band-pumped IR-UV double resonance spectroscopies

    SciTech Connect

    Changala, P. Bryan; Baraban, Joshua H.; Field, Robert W.; Merer, Anthony J.

    2015-08-28

    We report novel experimental strategies that should prove instrumental in extending the vibrational and rotational assignments of the S{sub 1} state of acetylene, C{sub 2}H{sub 2}, in the region of the cis-trans isomerization barrier. At present, the assignments are essentially complete up to ∼500 cm{sup −1} below the barrier. Two difficulties arise when the assignments are continued to higher energies. One is that predissociation into C{sub 2}H + H sets in roughly 1100 cm{sup −1} below the barrier; the resulting quenching of laser-induced fluorescence (LIF) reduces its value for recording spectra in this region. The other difficulty is that tunneling through the barrier causes a staggering in the K-rotational structure of isomerizing vibrational levels. The assignment of these levels requires data for K values up to at least 3. Given the rotational selection rule K′ − ℓ{sup ′′} = ± 1, such data must be obtained via excited vibrational levels of the ground state with ℓ{sup ′′} > 0. In this paper, high resolution H-atom resonance-enhanced multiphoton ionization spectra are demonstrated to contain predissociated bands which are almost invisible in LIF spectra, while preliminary data using a hyperthermal pulsed nozzle show that ℓ{sup ′′} = 2 states can be selectively populated in a jet, giving access to K′ = 3 states in IR-UV double resonance.

  6. HPAM: Hirshfeld partitioned atomic multipoles

    NASA Astrophysics Data System (ADS)

    Elking, Dennis M.; Perera, Lalith; Pedersen, Lee G.

    2012-02-01

    An implementation of the Hirshfeld (HD) and Hirshfeld-Iterated (HD-I) atomic charge density partitioning schemes is described. Atomic charges and atomic multipoles are calculated from the HD and HD-I atomic charge densities for arbitrary atomic multipole rank l on molecules of arbitrary shape and size. The HD and HD-I atomic charges/multipoles are tested by comparing molecular multipole moments and the electrostatic potential (ESP) surrounding a molecule with their reference ab initio values. In general, the HD-I atomic charges/multipoles are found to better reproduce ab initio electrostatic properties over HD atomic charges/multipoles. A systematic increase in precision for reproducing ab initio electrostatic properties is demonstrated by increasing the atomic multipole rank from l=0 (atomic charges) to l=4 (atomic hexadecapoles). Both HD and HD-I atomic multipoles up to rank l are shown to exactly reproduce ab initio molecular multipole moments of rank L for L⩽l. In addition, molecular dipole moments calculated by HD, HD-I, and ChelpG atomic charges only ( l=0) are compared with reference ab initio values. Significant errors in reproducing ab initio molecular dipole moments are found if only HD or HD-I atomic charges used. Program summaryProgram title: HPAM Catalogue identifier: AEKP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License v2 No. of lines in distributed program, including test data, etc.: 500 809 No. of bytes in distributed program, including test data, etc.: 13 424 494 Distribution format: tar.gz Programming language: C Computer: Any Operating system: Linux RAM: Typically, a few hundred megabytes Classification: 16.13 External routines: The program requires 'formatted checkpoint' files obtained from the Gaussian 03 or Gaussian 09 quantum chemistry program. Nature of problem: An ab initio

  7. Atomic supersymmetry

    NASA Technical Reports Server (NTRS)

    Kostelecky, V. Alan

    1993-01-01

    Atomic supersymmetry is a quantum-mechanical supersymmetry connecting the properties of different atoms and ions. A short description of some established results in the subject are provided and a few recent developments are discussed including the extension to parabolic coordinates and the calculation of Stark maps using supersymmetry-based models.

  8. Hot ice computer

    NASA Astrophysics Data System (ADS)

    Adamatzky, Andrew

    2009-12-01

    We experimentally demonstrate that supersaturated solution of sodium acetate, commonly called ‘hot ice’, is a massively-parallel unconventional computer. In the hot ice computer data are represented by a spatial configuration of crystallization induction sites and physical obstacles immersed in the experimental container. Computation is implemented by propagation and interaction of growing crystals initiated at the data-sites. We discuss experimental prototypes of hot ice processors which compute planar Voronoi diagram, shortest collision-free paths and implement AND and OR logical gates.

  9. Why Teach Environmental Chemistry?

    ERIC Educational Resources Information Center

    Gardner, Marjorie H.

    1974-01-01

    Discusses the importance of teaching environmental chemistry in secondary school science classes, and outlines five examples of environmental chemistry problems that focus on major concepts of chemistry and have critical implications for human survival and well-being. (JR)

  10. Science Update: Inorganic Chemistry

    ERIC Educational Resources Information Center

    Rawls, Rebecca

    1978-01-01

    This first in a series of articles describing the state of the art of various branches of chemistry reviews inorganic chemistry, including bioinorganic, photochemistry, organometallic, and solid state chemistries. (SL)

  11. Combustion chemistry

    SciTech Connect

    Brown, N.J.

    1993-12-01

    This research is concerned with the development and use of sensitivity analysis tools to probe the response of dependent variables to model input variables. Sensitivity analysis is important at all levels of combustion modeling. This group`s research continues to be focused on elucidating the interrelationship between features in the underlying potential energy surface (obtained from ab initio quantum chemistry calculations) and their responses in the quantum dynamics, e.g., reactive transition probabilities, cross sections, and thermal rate coefficients. The goals of this research are: (i) to provide feedback information to quantum chemists in their potential surface refinement efforts, and (ii) to gain a better understanding of how various regions in the potential influence the dynamics. These investigations are carried out with the methodology of quantum functional sensitivity analysis (QFSA).

  12. Provocative Opinion: Can Chemistry be Learned Without Understanding?

    ERIC Educational Resources Information Center

    Sanderson, R. T.

    1974-01-01

    Voices the opinion that clearer and more useful explanations of common chemistry are needed to facilitate understanding. Presents examples from the realms of atomic structure, periodic table, history of chemistry, valence, electronegativity, electrode potentials, covalent bonds, polar covalence, bond energy, and causes of chemical change. (GS)

  13. Hot tub folliculitis

    MedlinePlus

    ... around the lower part of the hair shaft (hair follicles). It occurs when you come into contact with ... hot tub may help prevent the problem. Images Hair follicle anatomy References D'Agata E. Pseudomonas aeruginosa and ...

  14. Saturn's Hot Plasma Explosions

    NASA Video Gallery

    This animation based on data obtained by NASA's Cassini Spacecraft shows how the "explosions" of hot plasma on the night side (orange and white) periodically inflate Saturn's magnetic field (white ...

  15. Science Update: Inorganic Chemistry.

    ERIC Educational Resources Information Center

    Rawls, Rebecca

    1981-01-01

    Describes areas of inorganic chemistry which have changed dramatically in the past year or two, including photochemistry, electrochemistry, organometallic complexes, inorganic reaction theory, and solid state chemistry. (DS)

  16. Study on effects of powder and flake chemistry and morphology on the properties of Al-Cu-Mg-X-X-X powder metallurgy advanced aluminum alloys

    NASA Technical Reports Server (NTRS)

    Meschter, P. J.; Lederich, R. J.; Oneal, J. E.; Pao, P. S.

    1985-01-01

    The effects of alloy chemistry and particulate morphology on consolidation behavior and consolidated product properties in rapid solidification processed, powder-metallurgical Al-3Li-1.5Cu-1Mg-0.5Co-0.2Zr and Al-4.4Cu-1.5Mg-Fe-Ni-0.2Zr extrusions and forgings were studied. Microstructures and mechanical properties of both alloys are largely unaffected by particulate production method (vacuum atomization, ultrasonic atomization, or twin-roller quenching) and by particulate solidification rates between 1000 and 100,000 K/s. Consolidation processing by canning, cold compaction, degassing, and hot extrusion is sufficient to yield mechanical properties in the non-Li-containing alloy extrusions which are similar to those of 7075-Al, but ductilities and fracture toughnesses are inferior owing to poor interparticle bonding caused by lack of a vacuum-hot-pressing step during consolidation. Mechanical properties of extrusions are superior to those of forgings owing to the stronger textures produced by the more severe hot working during extrusion. The effects on mechanical properties of dispersoid size and volume fraction, substructural refinement, solid solution strengthening by Mg, and precipitate size and distribution are elucidated for both alloy types.

  17. Hot ammonia in Orion

    SciTech Connect

    Morris, M.; Palmer, P.; Zuckerman, B.

    1980-04-01

    Ten inversion lines from nonmetastable rotational levels of NH/sub 3/ have been detected in the Kleinmann-Low (KL) nebula in Orion. Six of these lines were previoulsy undetected. The emission arises from levels which have energies up to 1150 K above the ground state, indicating that the NH/sub 3/ is immersed in a hot, dense medium. Three well-defined kinematical components within KL are evident in emission from NH/sub 3/ and other molecules. The emission from hot NH/sub 3/ is dominated by the component having V/sub LSR/=5.2 km s/sup -1/ and ..delta..V =10--12 km s/sup -1/. A non-LTE analysis of NH/sub 3/ emission from this ''hot core'' component reveals that the minimum particle density in this source is approx.5 x 10 cm/sup -3/, and that the kinetic temperature is > or approx. =220 K. The diameter of the hot core source is probably within a factor of 2 to 6'' (5 x 10/sup 16/ cm). The hot core is undoubtedly associated with one of the compact infrared sources in KL, and we suggest on the basis of position and velocity coincidences that it is IRc2. The hot core appears to contain about one Jeans mass at the inferred temperature and density. We therefore suggest that this object is a very young protostar which is still in the throes of its initial collapse.

  18. Elementary and brief introduction of hadronic chemistry

    NASA Astrophysics Data System (ADS)

    Tangde, Vijay M.

    2013-10-01

    The discipline, today known as Quantum Chemistry for atomic and subatomic level interactions has no doubt made a significant historical contributions to the society. Despite of its significant achievements, quantum chemistry is also known for its widespread denial of insufficiencies it inherits. An Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustained research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures without any quantitative scientific contents. Professor R M Santilli first formulated the iso-, geno- and hyper-mathematics [1-4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli's mathematics[3-5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6-8]. In the present discussion, we have briefly reviewed the conceptual foundations of Hadronic Chemistry that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary and its application in development of a new chemical species called Magnecules.

  19. Exploring Conceptual Frameworks of Models of Atomic Structures and Periodic Variations, Chemical Bonding, and Molecular Shape and Polarity: A Comparison of Undergraduate General Chemistry Students with High and Low Levels of Content Knowledge

    ERIC Educational Resources Information Center

    Wang, Chia-Yu; Barrow, Lloyd H.

    2013-01-01

    The purpose of the study was to explore students' conceptual frameworks of models of atomic structure and periodic variations, chemical bonding, and molecular shape and polarity, and how these conceptual frameworks influence their quality of explanations and ability to shift among chemical representations. This study employed a purposeful sampling…

  20. Unsymmetrical hot electron heating in quasi-ballistic nanocontacts

    PubMed Central

    Tsutsui, Makusu; Kawai, Tomoji; Taniguchi, Masateru

    2012-01-01

    Electrons are allowed to pass through a single atom connected to two electrodes without being scattered as the characteristic size is much smaller than the inelastic mean free path. In this quasi-ballistic regime, it is difficult to predict where and how power dissipation occurs in such current-carrying atomic system. Here, we report direct assessment of electrical heating in a metallic nanocontact. We find asymmetric electrical heating effects in the essentially symmetric single-atom contact. We simultaneously identified the voltage polarity independent onset of the local heating by conducting the inelastic noise spectroscopy. As a result, we revealed significant heat dissipation by hot electrons transmitting ballistically through the junction that creates a hot spot at the current downstream. This technique can be used as a platform for studying heat dissipation and transport in atomic/molecular systems. PMID:22355731

  1. Atomic oxygen testing with thermal atom systems - A critical evaluation

    NASA Technical Reports Server (NTRS)

    Koontz, Steven L.; Albyn, Keith; Leger, Lubert J.

    1991-01-01

    The use of thermal atom (kinetic energy near 0.04 eV) test methods as a materials selection and screening technique for LEO spacecraft is critically evaluated in this paper. The physics and chemistry of the thermal atom environments are shown to produce specific mass loss rates (mg/sq cm per min) and reaction efficiencies (Re) radically different from those produced in the LEO environment. A response surface study shows that specific mass loss rates change rapidly with plasma-asher parameters and seldom agree with flight data. FEP Teflon is shown to react by a different mechanism than Kapton, polyethylene, or graphite. The Re (Re = volume of material removed/oxygen atom) of Kapton, polyethylene, Mylar, Tedlar, FEP Teflon, and graphite measured in a flowing afterglow apparatus are 0.001 to 0.0001 those measured with high-energy atoms (kinetic energy 1.5 eV or greater) in beam systems or in LEO. The effect of sample temperature and atom impact energy on Re is discussed. A simple kinetic model describing the reaction of atomic oxygen with polymer surfaces is developed. Guidelines and recommendations for thermal atom testing and interpretation of test results are presented.

  2. Descriptive Chemistry in High School Curriculum.

    ERIC Educational Resources Information Center

    Rajan, Raj G.

    1983-01-01

    Discusses incorporation of descriptive chemistry and scientific/technical writing at the high school level. After discussing the periodic table, each student prepares a paper discussing the history, atomic data, occurring/extraction/purification, properties, and uses of an element. (JN)

  3. Hot off the Press.

    PubMed

    Hill, Robert A; Sutherland, Andrew

    2016-06-02

    A personal selection of 33 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products, such as epicochalasine A from Aspergillus flavipes.

  4. Hot off the press.

    PubMed

    Hill, Robert A; Sutherland, Andrew

    2013-06-01

    A personal selection of 33 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as asperterpenoid A, a metabolite of an endophytic Aspergillus species.

  5. Hot off the press.

    PubMed

    Hill, Robert A; Sutherland, Andrew

    2016-09-28

    A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as chrysamide A from a deep-sea fungus Penicillium chrysogenum.

  6. Hot off the press.

    PubMed

    Hill, Robert A; Sutherland, Andrew

    2016-11-23

    A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as kanamienamide from the marine cyanobacterium Moorea bouillonii.

  7. Hot off the press.

    PubMed

    Hill, Robert A; Sutherland, Andrew

    2017-04-05

    A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as furanmonogone A from Hypericum monogynum.

  8. The effect of hot electrons and surface plasmons on heterogeneous catalysis.

    PubMed

    Kim, Sun Mi; Lee, Si Woo; Moon, Song Yi; Park, Jeong Young

    2016-06-29

    Hot electrons and surface-plasmon-driven chemistry are amongst the most actively studied research subjects because they are deeply associated with energy dissipation and the conversion processes at the surface and interfaces, which are still open questions and key issues in the surface science community. In this topical review, we give an overview of the concept of hot electrons or surface-plasmon-mediated hot electrons generated under various structural schemes (i.e. metals, metal-semiconductor, and metal-insulator-metal) and their role affecting catalytic activity in chemical reactions. We highlight recent studies on the relation between hot electrons and catalytic activity on metallic surfaces. We discuss possible mechanisms for how hot electrons participate in chemical reactions. We also introduce controlled chemistry to describe specific pathways for selectivity control in catalysis on metal nanoparticles.

  9. The effect of hot electrons and surface plasmons on heterogeneous catalysis

    NASA Astrophysics Data System (ADS)

    Kim, Sun Mi; Lee, Si Woo; Moon, Song Yi; Park, Jeong Young

    2016-06-01

    Hot electrons and surface-plasmon-driven chemistry are amongst the most actively studied research subjects because they are deeply associated with energy dissipation and the conversion processes at the surface and interfaces, which are still open questions and key issues in the surface science community. In this topical review, we give an overview of the concept of hot electrons or surface-plasmon-mediated hot electrons generated under various structural schemes (i.e. metals, metal-semiconductor, and metal-insulator-metal) and their role affecting catalytic activity in chemical reactions. We highlight recent studies on the relation between hot electrons and catalytic activity on metallic surfaces. We discuss possible mechanisms for how hot electrons participate in chemical reactions. We also introduce controlled chemistry to describe specific pathways for selectivity control in catalysis on metal nanoparticles.

  10. Acting Atoms.

    ERIC Educational Resources Information Center

    Farin, Susan Archie

    1997-01-01

    Describes a fun game in which students act as electrons, protons, and neutrons. This activity is designed to help students develop a concrete understanding of the abstract concept of atomic structure. (DKM)

  11. Kinetic Atom.

    ERIC Educational Resources Information Center

    Wilson, David B.

    1981-01-01

    Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

  12. Nuclear chemistry progress report

    SciTech Connect

    Viola, V.E.; Kwiatkowski, K.

    1993-08-01

    This is the annual progress report for the Indiana University nuclear chemistry program for the 1992/1993 year. Accomplishments include the construction, testing, and initial experimental runs of the Indiana Silicon Sphere (ISiS) 4{pi} charged particle detector. ISiS is designed to study energy dissipation and multifragmentation phenomena in light-ion-induced nuclear reactions at medium-to-high energies. Its second test run was to examine 3.6 GeV {sup 3}He beam reactions at Laboratoire National Saturne (LNS) in Saclay. The development and deployment of this system has occupied a great deal of the groups effort this reporting period. Additional work includes: calculations of isotopic IMF yields in the {sup 4}He + {sup 116,124}Sn reaction; cross sections for A = 6 - 30 fragments from the {sup 4}He + {sup 28}Si reaction at 117 and 198 MeV; charging effects of passivated silicon detectors; neck emission of intermediate-mass fragments in the fission of hot heavy nuclei.

  13. Trace Chemistry

    NASA Technical Reports Server (NTRS)

    Radhakrishnan, Krishnan; Whitefield, Philip

    1999-01-01

    The goals of the trace chemistry group were to identify the processes relevant to aerosol and aerosol precursor formation occurring within aircraft gas turbine engines; that is, within the combustor, turbine, and nozzle. The topics of discussion focused on whether the chemistry of aerosol formation is homogeneous or heterogeneous; what species are important for aerosol and aerosol precursor formation; what modeling/theoretical activities to pursue; what experiments to carry out that both support modeling activities and elucidate fundamental processes; and the role of particulates in aerosol and aerosol precursor formation. The consensus of the group was that attention should be focused on SO2, SO3, and aerosols. Of immediate concern is the measurement of the concentration of the species SO3, SO2, H2SO4 OH, HO2, H2O2, O, NO, NO2, HONO, HNO3, CO, and CO2 and particulates in various engines, both those currently in use and those in development. The recommendation was that concentration measurements should be made at both the combustor exit and the engine exit. At each location the above species were classified into one of four categories of decreasing importance, Priority I through IV, as follows: Combustor exit: Priority I species - SO3:SO2 ratio, SO3, SO2, and particulates; Priority II species: OH and O; Priority III species - NO and NO2; and Priority IV species - CO and CO2. For the Engine exit: Priority I species - SO3:SO2 ratio, SO3, SO2,H2SO4, and particulates; Priority II species: OH,HO2, H2O2, and O; Priority III species - NO, NO2, HONO, and HNO3; and Priority IV species - CO and CO2. Table I summarizes the anticipated concentration range of each of these species. For particulate matter, the quantities of interest are the number density, size distribution, and composition. In order to provide data for validating multidimensional reacting flow models, it would be desirable to make 2-D, time-resolved measurements of the concentrations of the above species and

  14. Atomic weights: no longer constants of nature

    USGS Publications Warehouse

    Coplen, Tyler B.; Holden, Norman E.

    2011-01-01

    Many of us were taught that the standard atomic weights we found in the back of our chemistry textbooks or on the Periodic Table of the Chemical Elements hanging on the wall of our chemistry classroom are constants of nature. This was common knowledge for more than a century and a half, but not anymore. The following text explains how advances in chemical instrumentation and isotopic analysis have changed the way we view atomic weights and why they are no longer constants of nature

  15. Atomic Weights No Longer Constants of Nature

    SciTech Connect

    Coplen, T.B.; Holden, N.

    2011-03-01

    Many of us grew up being taught that the standard atomic weights we found in the back of our chemistry textbooks or on the Periodic Table of the Chemical Elements hanging on the wall of our chemistry classroom are constants of nature. This was common knowledge for more than a century and a half, but not anymore. The following text explains how advances in chemical instrumentation and isotopic analysis has changed the way we view atomic weights and why they are no longer constants of nature.

  16. Is There an Irreducible Chemistry Core? A Shot from a Canonical Cannon.

    ERIC Educational Resources Information Center

    Schwartz, A. Truman

    1999-01-01

    Argues for including several key ideas in every introductory general chemistry course, including the phenomena of chemistry, the organization and classification of matter, atomic structure, molecular bonding and molecular structure, the language of chemistry, the mole, chemical reactions and reactivity, chemical kinetics, chemical equilibrium, and…

  17. Chemistry Teacher Candidates' Acceptance and Opinions about Virtual Reality Technology for Molecular Geometry

    ERIC Educational Resources Information Center

    Saritas, M. T.

    2015-01-01

    The meaningful knowledge creation about molecular geometry has always been the challenge of chemistry learning. In particular, microscopic world of chemistry science (example, atoms, molecules, structures) used in traditional two dimensional way of chemistry teaching can lead to such problem as students create misconceptions. In recent years,…

  18. The hot list strategy.

    SciTech Connect

    Wos, L.; Pieper, G. W.; Mathematics and Computer Science

    1999-01-01

    Experimentation strongly suggests that, for attacking deep questions and hard problems with the assistance of an automated reasoning program, the more effective paradigms rely on the retention of deduced information. A significant obstacle ordinarily presented by such a paradigm is the deduction and retention of one or more needed conclusions whose complexity sharply delays their consideration. To mitigate the severity of the cited obstacle, I formulated and feature in this article the hot list strategy. The hot list strategy asks the researcher to choose, usually from among the input statements characterizing the problem under study, one or more statements that are conjectured to play a key role for assignment completion. The chosen statements--conjectured to merit revisiting, again and again--are placed in an input list of statements, called the hot list. When an automated reasoning program has decided to retain a new conclusion C--before any other statement is chosen to initiate conclusion drawing--the presence of a nonempty hot list (with an appropriate assignment of the input parameter known as heat) causes each inference rule in use to be applied to C together with the appropriate number of members of the hot list. Members of the hot list are used to complete applications of inference rules and not to initiate applications. The use of the hot list strategy thus enables an automated reasoning program to briefly consider a newly retained conclusion whose complexity would otherwise prevent its use for perhaps many CPU-hours. To give evidence of the value of the strategy, I focus on four contexts: (1) dramatically reducing the CPU time required to reach a desired goal, (2) finding a proof of a theorem that had previously resisted all but the more inventive automated attempts, (3) discovering a proof that is more elegant than previously known, and (4) answering a question that had steadfastly eluded researchers relying on an automated reasoning program. I also

  19. Implications of SWAS Observations for Interstellar Chemistry and Star Formation

    NASA Technical Reports Server (NTRS)

    Bergin, Edwin A.; Melnick, Gary J.; Stauffer, John R.; Ashby, Matthew L. N.; Chin, Gordon; Erickson, Neal R.; Goldsmith, Paul F.; Harwit, Martin; Howe, John E.; Kleiner, Steven C.

    2000-01-01

    A long standing prediction of steady state gas-phase chemical theory is that H2O and O2 are important reservoirs of elemental oxygen and major coolants of the interstellar medium. Analysis of SWAS observations has set sensitive upper limits on the abundance Of O2 and has provided H2O abundances toward a variety of star forming regions. Based on these results, we show that gaseous H2O and O2 are not dominant carriers of elemental oxygen in molecular clouds. Instead the available oxygen is presumably frozen on dust grains in the form of molecular ices, with a significant portion potentially remaining in atomic form, along with CO, in the gas phase. H2O and O2 are also not significant coolants for quiescent molecular gas. In the case of H2O, a number of known chemical processes can locally elevate its abundance in regions with enhanced temperatures, such as warm regions surrounding young stars or in hot shocked gas. Thus, water can be a locally important coolant. The new information provided by SWAS, when combined with recent results from the Infrared Space Observatory, also provide several hard observational constraints for theoretical models of the chemistry in molecular clouds and we discuss various models that satisfy these conditions.

  20. HotRegion: a database of predicted hot spot clusters

    PubMed Central

    Cukuroglu, Engin; Keskin, Ozlem

    2012-01-01

    Hot spots are energetically important residues at protein interfaces and they are not randomly distributed across the interface but rather clustered. These clustered hot spots form hot regions. Hot regions are important for the stability of protein complexes, as well as providing specificity to binding sites. We propose a database called HotRegion, which provides the hot region information of the interfaces by using predicted hot spot residues, and structural properties of these interface residues such as pair potentials of interface residues, accessible surface area (ASA) and relative ASA values of interface residues of both monomer and complex forms of proteins. Also, the 3D visualization of the interface and interactions among hot spot residues are provided. HotRegion is accessible at http://prism.ccbb.ku.edu.tr/hotregion. PMID:22080558

  1. Non-thermal hydrogen atoms in the terrestrial upper thermosphere.

    PubMed

    Qin, Jianqi; Waldrop, Lara

    2016-12-06

    Model predictions of the distribution and dynamical transport of hydrogen atoms in the terrestrial atmosphere have long-standing discrepancies with ultraviolet remote sensing measurements, indicating likely deficiencies in conventional theories regarding this crucial atmospheric constituent. Here we report the existence of non-thermal hydrogen atoms that are much hotter than the ambient oxygen atoms in the upper thermosphere. Analysis of satellite measurements indicates that the upper thermospheric hydrogen temperature, more precisely the mean kinetic energy of the atomic hydrogen population, increases significantly with declining solar activity, contrary to contemporary understanding of thermospheric behaviour. The existence of hot hydrogen atoms in the upper thermosphere, which is the key to reconciling model predictions and observations, is likely a consequence of low atomic oxygen density leading to incomplete collisional thermalization of the hydrogen population following its kinetic energization through interactions with hot atomic or ionized constituents in the ionosphere, plasmasphere or magnetosphere.

  2. Non-thermal hydrogen atoms in the terrestrial upper thermosphere

    PubMed Central

    Qin, Jianqi; Waldrop, Lara

    2016-01-01

    Model predictions of the distribution and dynamical transport of hydrogen atoms in the terrestrial atmosphere have long-standing discrepancies with ultraviolet remote sensing measurements, indicating likely deficiencies in conventional theories regarding this crucial atmospheric constituent. Here we report the existence of non-thermal hydrogen atoms that are much hotter than the ambient oxygen atoms in the upper thermosphere. Analysis of satellite measurements indicates that the upper thermospheric hydrogen temperature, more precisely the mean kinetic energy of the atomic hydrogen population, increases significantly with declining solar activity, contrary to contemporary understanding of thermospheric behaviour. The existence of hot hydrogen atoms in the upper thermosphere, which is the key to reconciling model predictions and observations, is likely a consequence of low atomic oxygen density leading to incomplete collisional thermalization of the hydrogen population following its kinetic energization through interactions with hot atomic or ionized constituents in the ionosphere, plasmasphere or magnetosphere. PMID:27922018

  3. Non-thermal hydrogen atoms in the terrestrial upper thermosphere

    NASA Astrophysics Data System (ADS)

    Qin, Jianqi; Waldrop, Lara

    2016-12-01

    Model predictions of the distribution and dynamical transport of hydrogen atoms in the terrestrial atmosphere have long-standing discrepancies with ultraviolet remote sensing measurements, indicating likely deficiencies in conventional theories regarding this crucial atmospheric constituent. Here we report the existence of non-thermal hydrogen atoms that are much hotter than the ambient oxygen atoms in the upper thermosphere. Analysis of satellite measurements indicates that the upper thermospheric hydrogen temperature, more precisely the mean kinetic energy of the atomic hydrogen population, increases significantly with declining solar activity, contrary to contemporary understanding of thermospheric behaviour. The existence of hot hydrogen atoms in the upper thermosphere, which is the key to reconciling model predictions and observations, is likely a consequence of low atomic oxygen density leading to incomplete collisional thermalization of the hydrogen population following its kinetic energization through interactions with hot atomic or ionized constituents in the ionosphere, plasmasphere or magnetosphere.

  4. Organic chemistry meets polymers, nanoscience, therapeutics and diagnostics.

    PubMed

    Rotello, Vincent M

    2016-01-01

    The atom-by-atom control provided by synthetic organic chemistry presents a means of generating new functional nanomaterials with great precision. Bringing together these two very disparate skill sets is, however, quite uncommon. This autobiographical review provides some insight into how my program evolved, as well as giving some idea of where we are going.

  5. Organic chemistry meets polymers, nanoscience, therapeutics and diagnostics

    PubMed Central

    2016-01-01

    Summary The atom-by-atom control provided by synthetic organic chemistry presents a means of generating new functional nanomaterials with great precision. Bringing together these two very disparate skill sets is, however, quite uncommon. This autobiographical review provides some insight into how my program evolved, as well as giving some idea of where we are going. PMID:27559417

  6. Reversible Bergman cyclization by atomic manipulation

    NASA Astrophysics Data System (ADS)

    Schuler, Bruno; Fatayer, Shadi; Mohn, Fabian; Moll, Nikolaj; Pavliček, Niko; Meyer, Gerhard; Peña, Diego; Gross, Leo

    2016-03-01

    The Bergman cyclization is one of the most fascinating rearrangements in chemistry, with important implications in organic synthesis and pharmacology. Here we demonstrate a reversible Bergman cyclization for the first time. We induced the on-surface transformation of an individual aromatic diradical into a highly strained ten-membered diyne using atomic manipulation and verified the products by non-contact atomic force microscopy with atomic resolution. The diyne and diradical were stabilized by using an ultrathin NaCl film as the substrate, and the diyne could be transformed back into the diradical. Importantly, the diradical and the diyne exhibit different reactivity, electronic, magnetic and optical properties associated with the changes in the bond topology, and spin multiplicity. With this reversible, triggered Bergman cyclization we demonstrated switching on demand between the two reactive intermediates by means of selective C-C bond formation or cleavage, which opens up the field of radical chemistry for on-surface reactions by atomic manipulation.

  7. Reversible Bergman cyclization by atomic manipulation.

    PubMed

    Schuler, Bruno; Fatayer, Shadi; Mohn, Fabian; Moll, Nikolaj; Pavliček, Niko; Meyer, Gerhard; Peña, Diego; Gross, Leo

    2016-03-01

    The Bergman cyclization is one of the most fascinating rearrangements in chemistry, with important implications in organic synthesis and pharmacology. Here we demonstrate a reversible Bergman cyclization for the first time. We induced the on-surface transformation of an individual aromatic diradical into a highly strained ten-membered diyne using atomic manipulation and verified the products by non-contact atomic force microscopy with atomic resolution. The diyne and diradical were stabilized by using an ultrathin NaCl film as the substrate, and the diyne could be transformed back into the diradical. Importantly, the diradical and the diyne exhibit different reactivity, electronic, magnetic and optical properties associated with the changes in the bond topology, and spin multiplicity. With this reversible, triggered Bergman cyclization we demonstrated switching on demand between the two reactive intermediates by means of selective C-C bond formation or cleavage, which opens up the field of radical chemistry for on-surface reactions by atomic manipulation.

  8. IR Hot Wave

    SciTech Connect

    Graham, T. B.

    2010-04-01

    The IR Hot Wave{trademark} furnace is a breakthrough heat treatment system for manufacturing metal components. Near-infrared (IR) radiant energy combines with IR convective heating for heat treating. Heat treatment is an essential process in the manufacture of most components. The controlled heating and cooling of a metal or metal alloy alters its physical, mechanical, and sometimes chemical properties without changing the object's shape. The IR Hot Wave{trademark} furnace offers the simplest, quickest, most efficient, and cost-effective heat treatment option for metals and metal alloys. Compared with other heat treatment alternatives, the IR Hot Wave{trademark} system: (1) is 3 to 15 times faster; (2) is 2 to 3 times more energy efficient; (3) is 20% to 50% more cost-effective; (4) has a {+-}1 C thermal profile compared to a {+-}10 C thermal profile for conventional gas furnaces; and (5) has a 25% to 50% smaller footprint.

  9. Atomic research

    NASA Technical Reports Server (NTRS)

    Hadaway, James B.; Connatser, Robert; Cothren, Bobby; Johnson, R. B.

    1993-01-01

    Work performed by the University of Alabama in Huntsville's (UAH) Center for Applied Optics (CAO) entitled Atomic Research is documented. Atomic oxygen (AO) effects on materials have long been a critical concern in designing spacecraft to withstand exposure to the Low Earth Orbit (LEO) environment. The objective of this research effort was to provide technical expertise in the design of instrumentation and experimental techniques for analyzing materials exposed to atomic oxygen in accelerated testing at NASA/MSFC. Such testing was required to answer fundamental questions concerning Space Station Freedom (SSF) candidate materials and materials exposed to atomic oxygen aboard the Long-Duration Exposure Facility (LDEF). The primary UAH task was to provide technical design, review, and analysis to MSFC in the development of a state-of-the-art 5eV atomic oxygen beam facility required to simulate the RAM-induced low earth orbit (LEO) AO environment. This development was to be accomplished primarily at NASA/MSFC. In support of this task, contamination effects and ultraviolet (UV) simulation testing was also to be carried out using NASA/MSFC facilities. Any materials analysis of LDEF samples was to be accomplished at UAH.

  10. Hot Oil Removes Wax

    NASA Technical Reports Server (NTRS)

    Herzstock, James J.

    1991-01-01

    Mineral oil heated to temperature of 250 degrees F (121 degrees C) found effective in removing wax from workpieces after fabrication. Depending upon size and shape of part to be cleaned of wax, part immersed in tank of hot oil, and/or interior of part flushed with hot oil. Pump, fittings, and ancillary tooling built easily for this purpose. After cleaning, innocuous oil residue washed off part by alkaline aqueous degreasing process. Serves as relatively safe alternative to carcinogenic and environmentally hazardous solvent perchloroethylene.

  11. Atom Interferometry

    ScienceCinema

    Mark Kasevich

    2016-07-12

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton’s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  12. Atom Interferometry

    SciTech Connect

    Kasevich, Mark

    2008-05-08

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton's constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gyroscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be used to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  13. Atom Interferometry

    SciTech Connect

    Mark Kasevich

    2008-05-07

    Atom de Broglie wave interferometry has emerged as a tool capable of addressing a diverse set of questions in gravitational and condensed matter physics, and as an enabling technology for advanced sensors in geodesy and navigation. This talk will review basic principles, then discuss recent applications and future directions. Scientific applications to be discussed include measurement of G (Newton’s constant), tests of the Equivalence Principle and post-Newtonian gravity, and study of the Kosterlitz-Thouless phase transition in layered superfluids. Technology applications include development of precision gryoscopes and gravity gradiometers. The talk will conclude with speculative remarks looking to the future: Can atom interference methods be sued to detect gravity waves? Can non-classical (entangled/squeezed state) atom sources lead to meaningful sensor performance improvements?

  14. Hot Charge Carrier Transmission from Plasmonic Nanostructures.

    PubMed

    Christopher, Phillip; Moskovits, Martin

    2017-03-16

    Surface plasmons have recently been harnessed to carry out processes such as photovoltaic current generation, redox photochemistry, photocatalysis, and photodetection, all of which are enabled by separating energetic (hot) electrons and holes-processes that, previously, were the domain of semiconductor junctions. Currently, the power conversion efficiencies of systems using plasmon excitation are low. However, the very large electron/hole per photon quantum efficiencies observed for plasmonic devices fan the hope of future improvements through a deeper understanding of the processes involved and through better device engineering, especially of critical interfaces such as those between metallic and semiconducting nanophases (or adsorbed molecules). In this review, we focus on the physics and dynamics governing plasmon-derived hot charge carrier transfer across, and the electronic structure at, metal-semiconductor (molecule) interfaces, where we feel the barriers contributing to low efficiencies reside. We suggest some areas of opportunity that deserve early attention in the still-evolving field of hot carrier transmission from plasmonic nanostructures to neighboring phases. Expected final online publication date for the Annual Review of Physical Chemistry Volume 68 is April 20, 2017. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

  15. Atoms, Molecules, and Kinetic Theory, Science (Experimental): 5317.63.

    ERIC Educational Resources Information Center

    Buffaloe, Jacquelin F.

    This course of instruction in advanced chemistry is intended for the student ready for first-year college chemistry. Presented is an in-depth review with theory and mathematics being stressed in the study of concepts involving atomic structure, bonding, states of matter, molar relationships in equations, and properties of solutions. It is…

  16. Chemistry Rocks: Redox Chemistry as a Geologic Tool.

    ERIC Educational Resources Information Center

    Burns, Mary Sue

    2001-01-01

    Applies chemistry to earth science, uses rocks in chemistry laboratories, and teaches about transition metal chemistry, oxidation states, and oxidation-reduction reactions from firsthand experiences. (YDS)

  17. Atoms in astronomy

    NASA Technical Reports Server (NTRS)

    Blanchard, P. A.

    1976-01-01

    Aspects of electromagnetic radiation and atomic physics needed for an understanding of astronomical applications are explored. Although intended primarily for teachers, this brochure is written so that it can be distributed to students if desired. The first section, Basic Topics, is suitable for a ninth-grade general science class; the style is simple and repetitive, and no mathematics or physics background is required. The second section, Intermediate and Advanced Topics, requires a knowledge of the material in the first section and assumes a generally higher level of achievement and motivation on the part of the student. These latter topics might fit well into junior-level physics, chemistry, or earth-science courses. Also included are a glossary, a list of references and teaching aids, class exercises, and a question and answer section.

  18. Hot off the Press

    ERIC Educational Resources Information Center

    Brisco, Nicole D.

    2007-01-01

    In the past, the newspaper was one of the world's most used sources of information. Recently, however, its use has declined due to the popularity of cable television and the Internet. Yet the idea of reading the morning paper with a hot cup of coffee holds many warm memories for children who watched their parents in this daily ritual. In this…

  19. What's Hot? What's Not?

    ERIC Educational Resources Information Center

    Buczynski, Sandy

    2006-01-01

    When Goldilocks finds three bowls of porridge at different temperatures in the three bears' house, she accurately assesses the situation and comes up with one of the most recognizable lines in children's literature," This porridge is too hot; this porridge is too cold; aahh, this porridge is just right!" Goldilocks' famous line is a perfect…

  20. Exploring Chemical Equilibrium in Hot Jovians

    NASA Astrophysics Data System (ADS)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Blecic, Jasmina; Challener, Ryan

    2016-01-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Yung 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime 0.1 to 1 bar. These results are compared to a variety of exoplanets(Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an up-dated thermodynamic library) is compared with the thermochemical model presented in Venotet al. (2012) for HD 209458b and HD 189733b. This same analysis is then applied to the cooler planet HD 97658b. Spectra are generated and we compare both models' outputs using the open source codetransit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. Thiswork was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  1. Constitutional dynamic chemistry: bridge from supramolecular chemistry to adaptive chemistry.

    PubMed

    Lehn, Jean-Marie

    2012-01-01

    Supramolecular chemistry aims at implementing highly complex chemical systems from molecular components held together by non-covalent intermolecular forces and effecting molecular recognition, catalysis and transport processes. A further step consists in the investigation of chemical systems undergoing self-organization, i.e. systems capable of spontaneously generating well-defined functional supramolecular architectures by self-assembly from their components, thus behaving as programmed chemical systems. Supramolecular chemistry is intrinsically a dynamic chemistry in view of the lability of the interactions connecting the molecular components of a supramolecular entity and the resulting ability of supramolecular species to exchange their constituents. The same holds for molecular chemistry when the molecular entity contains covalent bonds that may form and break reversibility, so as to allow a continuous change in constitution by reorganization and exchange of building blocks. These features define a Constitutional Dynamic Chemistry (CDC) on both the molecular and supramolecular levels.CDC introduces a paradigm shift with respect to constitutionally static chemistry. The latter relies on design for the generation of a target entity, whereas CDC takes advantage of dynamic diversity to allow variation and selection. The implementation of selection in chemistry introduces a fundamental change in outlook. Whereas self-organization by design strives to achieve full control over the output molecular or supramolecular entity by explicit programming, self-organization with selection operates on dynamic constitutional diversity in response to either internal or external factors to achieve adaptation.The merging of the features: -information and programmability, -dynamics and reversibility, -constitution and structural diversity, points to the emergence of adaptive and evolutive chemistry, towards a chemistry of complex matter.

  2. New Trends in Chemistry Teaching. Volume V. The Teaching of Basic Sciences: Chemistry.

    ERIC Educational Resources Information Center

    United Nations Educational, Scientific, and Cultural Organization, Paris (France).

    This collection of articles, originally published in national and international journals, is fifth in a series devoted to trends in teaching chemistry. The volume is divided into nine sections, each with an introduction explaining why papers have been selected and outlining their particular interest. Section I provides a list of atomic masses,…

  3. Chemistry as a Second Language: Helping Students Master Core Concepts and Succeed in Chemistry

    ERIC Educational Resources Information Center

    Hanes, Cara

    2004-01-01

    Chemistry is a unique language in and of itself that can be difficult for students to understand. For instance, a white powder can be translated down to the atomic level in a chemical equation, thus creating a chemical word that needs to be decoded. In this article, the author shares an approach to a basic curriculum that makes chemistry…

  4. Chemistry with Inexpensive Materials: Spray Bottles and Plastic Bags.

    ERIC Educational Resources Information Center

    Zoltewicz, Susan

    1993-01-01

    Presents eight chemistry activities that are interesting and involve simple, easily available materials. Topics include mystery writing, valentine hearts, flame tests, evaporation race, buoyancy versus mass, determination of relative masses of gases, mole sample container, and cold and hot packs. (DDR)

  5. Average Description of Dipole Gamma Transitions in Hot Atomic Nuclei

    NASA Astrophysics Data System (ADS)

    Plujko, V. A.; Gorbachenko, O. M.; Rovenskykh, E. P.; Zheltonozhskii, V. A.

    2014-04-01

    A new version of the modified Lorentzian approach for radiative strength function is proposed. It is based on renewed systematics for giant dipole resonance (GDR) parameters. The gamma-decay strength functions are calculated using new GDR parameters and compared with experimental data. It is demonstrated that closed-form approaches with energy-dependent width of the gamma strength, as a rule, provide a reliable simple method for description of gamma-decay processes.

  6. Computational chemistry research

    NASA Technical Reports Server (NTRS)

    Levin, Eugene

    1987-01-01

    Task 41 is composed of two parts: (1) analysis and design studies related to the Numerical Aerodynamic Simulation (NAS) Extended Operating Configuration (EOC) and (2) computational chemistry. During the first half of 1987, Dr. Levin served as a member of an advanced system planning team to establish the requirements, goals, and principal technical characteristics of the NAS EOC. A paper entitled 'Scaling of Data Communications for an Advanced Supercomputer Network' is included. The high temperature transport properties (such as viscosity, thermal conductivity, etc.) of the major constituents of air (oxygen and nitrogen) were correctly determined. The results of prior ab initio computer solutions of the Schroedinger equation were combined with the best available experimental data to obtain complete interaction potentials for both neutral and ion-atom collision partners. These potentials were then used in a computer program to evaluate the collision cross-sections from which the transport properties could be determined. A paper entitled 'High Temperature Transport Properties of Air' is included.

  7. Cometary MHD and chemistry

    NASA Technical Reports Server (NTRS)

    Wegmann, R.; Schmidt, H. U.; Huebner, W. F.; Boice, D. C.

    1987-01-01

    An MHD and chemical comet-coma model was developed, applying the computer program of Huebner (1985) for the detailed chemical evolution of a spherically expanding coma and the program of Schmidt and Wegman (1982) and Wegman (1987) for the MHD flow of plasma and magnetic field in a comet to the Giotto-mission data on the ion abundances measured by the HIS ion mass spectrometer. The physics and chemistry of the coma are modeled in great detail, including photoprocesses, gas-phase chemical kinetics, energy balance with a separate electron temperature, multifluid hydrodynamics with a transition to free molecular flow, fast-streaming atomic and molecular hydrogen, counter and cross streaming of the ionized species relative to the neutral species in the coma-solar wind interaction region with momentum exchange by elastic collisions, mass-loading through ion pick-up, and Lorentz forces of the advected magnetic field. The results, both inside and outside of the contact surface, are discussed and compared with the relevant HIS ion mass spectra.

  8. Computational chemistry and aeroassisted orbital transfer vehicles

    NASA Technical Reports Server (NTRS)

    Cooper, D. M.; Jaffe, R. L.; Arnold, J. O.

    1985-01-01

    An analysis of the radiative heating phenomena encountered during a typical aeroassisted orbital transfer vehicle (AOTV) trajectory was made to determine the potential impact of computational chemistry on AOTV design technology. Both equilibrium and nonequilibrium radiation mechanisms were considered. This analysis showed that computational chemistry can be used to predict (1) radiative intensity factors and spectroscopic data; (2) the excitation rates of both atoms and molecules; (3) high-temperature reaction rate constants for metathesis and charge exchange reactions; (4) particle ionization and neutralization rates and cross sections; and (5) spectral line widths.

  9. Students' Mental Models of Atomic Spectra

    ERIC Educational Resources Information Center

    Körhasan, Nilüfer Didis; Wang, Lu

    2016-01-01

    Mental modeling, which is a theory about knowledge organization, has been recently studied by science educators to examine students' understanding of scientific concepts. This qualitative study investigates undergraduate students' mental models of atomic spectra. Nine second-year physics students, who have already taken the basic chemistry and…

  10. What Is Hot Yoga (Bikram)?

    MedlinePlus

    Healthy Lifestyle Consumer health What is hot yoga? Answers from Edward R. Laskowski, M.D. Hot yoga is a vigorous form of yoga performed in a studio ... you check with your doctor before trying hot yoga if you have any health concerns. If you have heart disease, problems with ...

  11. USSR Report, Chemistry.

    DTIC Science & Technology

    2007-11-02

    This chemistry Report from the USSR contains articles mainly on Adsorption, Analytical Chemistry, Biochemistry, Catalysis, Chemical Industry, Coal ... Gasification , Electrochemistry, Fertilizers, Food Technology, Inorganic Compounds, Nitrogen Compounds and Organometallic Compounds.

  12. Chemistry for Potters.

    ERIC Educational Resources Information Center

    Denio, Allen A.

    1980-01-01

    Relates pottery making to chemistry by providing chemical information about clay, its origin, composition, properties, and changes that occur during firing; also describes glaze compositions, examples of redox chemistry, salt glazing, crystalline glazes, and problems in toxicity. (CS)

  13. Organometallic Chemistry of Molybdenum.

    ERIC Educational Resources Information Center

    Lucas, C. Robert; Walsh, Kelly A.

    1987-01-01

    Suggests ways to avoid some of the problems students have learning the principles of organometallic chemistry. Provides a description of an experiment used in a third-year college chemistry laboratory on molybdenum. (TW)

  14. Special Report: Brain Chemistry.

    ERIC Educational Resources Information Center

    Krassner, Michael B.

    1983-01-01

    Chemical actions in the brain result in cognitive, emotional, neuroendocrine, neuromuscular, and/or neurocirculatory effects. Developments in understanding brain chemistry are discussed, considering among others, neurotransmitter chemistry, neuropeptides, drugs and the brain, antidepressants, and actions of minor tranquilizers. (JN)

  15. Environmental chemistry: Volume A

    SciTech Connect

    Yen, T.F.

    1999-08-01

    This is an extensive introduction to environmental chemistry for engineering and chemical professionals. The contents of Volume A include a brief review of basic chemistry prior to coverage of litho, atmo, hydro, pedo, and biospheres.

  16. Atomic arias

    NASA Astrophysics Data System (ADS)

    Crease, Robert P.

    2009-01-01

    The American composer John Adams uses opera to dramatize controversial current events. His 1987 work Nixon in China was about the landmark meeting in 1972 between US President Richard Nixon and Chairman Mao Zedong of China; The Death of Klinghoffer (1991) was a musical re-enactment of an incident in 1985 when Palestinian terrorists kidnapped and murdered a wheelchair-bound Jewish tourist on a cruise ship. Adams's latest opera, Doctor Atomic, is also tied to a controversial event: the first atomic-bomb test in Alamogordo, New Mexico, on 16 June 1945. The opera premièred in San Francisco in 2005, had a highly publicized debut at the Metropolitan Opera in New York in 2008, and will have another debut on 25 February - with essentially the same cast - at the English National Opera in London.

  17. Atomic rivals

    SciTech Connect

    Goldschmidt, B.

    1990-01-01

    This book is a memoir of rivalries among the Allies over the bomb, by a participant and observer. Nuclear proliferation began in the uneasy wartime collaboration of the United States, England, Canada, and Free France to produce the atom bomb. Through the changes of history, a young French chemist had a role in almost every act of this international drama. This memoir is based on Goldschmidt's own recollections, interviews with other leading figures, and 3,000 pages of newly declassified documents in Allied archives. From his own start as Marie Curie's lab assistant, Goldschmidt's career was closely intertwined with Frances complicated rise to membership in the nuclear club. As a refugee from the Nazis, he became part of the wartime nuclear energy project in Canada and found himself the only French scientist to work (although briefly) on the American atom bomb project.

  18. Atomic physics

    SciTech Connect

    Livingston, A.E.; Kukla, K.; Cheng, S.

    1995-08-01

    In a collaboration with the Atomic Physics group at Argonne and the University of Toledo, the Atomic Physics group at the University of Notre Dame is measuring the fine structure transition energies in highly-charged lithium-like and helium-like ions using beam-foil spectroscopy. Precise measurements of 2s-2p transition energies in simple (few-electron) atomic systems provide stringent tests of several classes of current atomic- structure calculations. Analyses of measurements in helium-like Ar{sup 16+} have been completed, and the results submitted for publication. A current goal is to measure the 1s2s{sup 3}S{sub 1} - 1s2p{sup 3}P{sub 0} transition wavelength in helium-like Ni{sup 26+}. Measurements of the 1s2s{sup 2}S{sub 1/2} - 1s2p{sup 2}P{sub 1/2,3/2} transition wavelengths in lithium-like Kr{sup 33+} is planned. Wavelength and lifetime measurements in copper-like U{sup 63+} are also expected to be initiated. The group is also participating in measurements of forbidden transitions in helium-like ions. A measurement of the lifetime of the 1s2s{sup 3}S{sub 1} state in Kr{sup 34+} was published recently. In a collaboration including P. Mokler of GSI, Darmstadt, measurements have been made of the spectral distribution of the 2E1 decay continuum in helium-like Kr{sup 34+}. Initial results have been reported and further measurements are planned.

  19. Microstructure Evolution of Gas Atomized Iron Based ODS Alloys

    SciTech Connect

    Rieken, J.R.; Anderson, I.E.; Kramer, M.J.; Anderegg, J.W.; Shechtman, D.

    2009-12-01

    In a simplified process to produce precursor powders for oxide dispersion-strength- ened (ODS) alloys, gas-atomization reaction synthesis (GARS) was used to induce a surface oxide layer on molten droplets of three differing erritic stainless steel alloys during break-up and rapid solidification. The chemistry of the surface oxide was identified using auger electron spectroscopy (AES) and scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS). The precursor iron-base powders were consolidated at 850 C and 1,300 C using hot isostatic pressing (HIPing). Consolidation at the lower temperature resulted in a fully dense microstructure, while preventing substantial prior particle-boundary-oxide dissociation. Microstructural analysis of the alloys consolidated at the higher temperature confirmed a significant reduction in prior-particle-boundary-oxide volume fraction, in comparison with the lower-temperature-consolidated sample. This provided evidence that a high-temperature internal oxygen-exchange reaction occurred between the metastable prior particle-boundary-oxide phase (chromium oxide) and the yttrium contained within each prior particle. This internal oxygen-exchange reaction is shown to result in the formation of yttrium-enriched oxide dispersoids throughout the alloy microstructure. The evolving microstructure was characterized using transmission electron microscopy (TEM) and high-energy X-ray diffraction (HE-XRD).

  20. Microstructure Evolution of Gas Atomized Iron Based ODS Alloys

    SciTech Connect

    Rieken, J.R.; Anderson, I.E.; Kramer, M.J.

    2011-08-09

    In a simplified process to produce precursor powders for oxide dispersion-strengthened (ODS) alloys, gas-atomization reaction synthesis (GARS) was used to induce a surface oxide layer on molten droplets of three differing erritic stainless steel alloys during break-up and rapid solidification. The chemistry of the surface oxide was identified using auger electron spectroscopy (AES) and scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS). The precursor iron-base powders were consolidated at 850 C and 1,300 C using hot isostatic pressing (HIPing). Consolidation at the lower temperature resulted in a fully dense microstructure, while preventing substantial prior particle-boundary-oxide dissociation. Microstructural analysis of the alloys consolidated at the higher temperature confirmed a significant reduction in prior-particle-boundary-oxide volume fraction, in comparison with the lower-temperature-consolidated sample. This provided evidence that a high-temperature internal oxygen-exchange reaction occurred between the metastable prior particle-boundary-oxide phase (chromium oxide) and the yttrium contained within each prior particle. This internal oxygen-exchange reaction is shown to result in the formation of yttrium-enriched oxide dispersoids throughout the alloy microstructure. The evolving microstructure was characterized using transmission electron microscopy (TEM) and high-energy X-ray diffraction (HE-XRD).

  1. Atomic Databases

    NASA Astrophysics Data System (ADS)

    Mendoza, Claudio

    2000-10-01

    Atomic and molecular data are required in a variety of fields ranging from the traditional astronomy, atmospherics and fusion research to fast growing technologies such as lasers, lighting, low-temperature plasmas, plasma assisted etching and radiotherapy. In this context, there are some research groups, both theoretical and experimental, scattered round the world that attend to most of this data demand, but the implementation of atomic databases has grown independently out of sheer necessity. In some cases the latter has been associated with the data production process or with data centers involved in data collection and evaluation; but sometimes it has been the result of individual initiatives that have been quite successful. In any case, the development and maintenance of atomic databases call for a number of skills and an entrepreneurial spirit that are not usually associated with most physics researchers. In the present report we present some of the highlights in this area in the past five years and discuss what we think are some of the main issues that have to be addressed.

  2. Hot Spring Metagenomics

    PubMed Central

    López-López, Olalla; Cerdán, María Esperanza; González-Siso, María Isabel

    2013-01-01

    Hot springs have been investigated since the XIX century, but isolation and examination of their thermophilic microbial inhabitants did not start until the 1950s. Many thermophilic microorganisms and their viruses have since been discovered, although the real complexity of thermal communities was envisaged when research based on PCR amplification of the 16S rRNA genes arose. Thereafter, the possibility of cloning and sequencing the total environmental DNA, defined as metagenome, and the study of the genes rescued in the metagenomic libraries and assemblies made it possible to gain a more comprehensive understanding of microbial communities—their diversity, structure, the interactions existing between their components, and the factors shaping the nature of these communities. In the last decade, hot springs have been a source of thermophilic enzymes of industrial interest, encouraging further study of the poorly understood diversity of microbial life in these habitats. PMID:25369743

  3. The hot chocolate effect

    NASA Astrophysics Data System (ADS)

    Crawford, Frank S.

    1982-05-01

    The ''hot chocolate effect'' was investigated quantitatively, using water. If a tall glass cylinder is filled nearly completely with water and tapped on the bottom with a softened mallet one can detect the lowest longitudinal mode of the water column, for which the height of the water column is one-quarter wavelength. If the cylinder is rapidly filled with hot tap water containing dissolved air the pitch of that mode may descend by nearly three octaves during the first few seconds as the air comes out of solution and forms bubbles. Then the pitch gradually rises as the bubbles float to the top. A simple theoretical expression for the pitch ratio is derived and compared with experiment. The agreement is good to within the 10% accuracy of the experiments.

  4. Simulation of hot fragment conductive ignition processes of solid propellants

    SciTech Connect

    Kuo, K.K.; Hsieh, W.H.; Hsieh, K.C.; Miller, M.S.

    1987-01-01

    A comprehensive theoretical model has been developed for characterizing the degree of vulnerability of various solid propellants. The model simulates the hot fragment conductive ignition (HFCI) experiments, employing hot inert particles in direct contact with solid propellant samples. The effect of binder chemistry on the ignition process is considered by including the temperature-dependent endothermic decomposition reaction of the binder. The mathematical model consists of governing equations for the hot particles, the propellant, and the foam layer formed by the liquefaction, pyrolysis, and decomposition of the propellant. To validate the theoretical model in the absence of the necessary chemical kinetic data, an ice melting and evaporation experiment was designed and conducted. These experiments simulate the conductive heating, melting, and evaporating processes of the HFCI experiments except the chemical reactions. Calculated results compare well with experimental data in temperature-time traces, spall particle sinking velocity, and displacement.

  5. Updated Atomic Weights: Time to Review Our Table

    DOE PAGES

    Tyler B. Coplen; Holden, Norman E.; Meyers, Fabienne

    2016-04-05

    Many readers might wonder what can be new about atomic weights and why such a subject deserves even a short paper in Chemistry Views magazine. However, despite common belief, atomic weights are not constants of nature. Scientists' ability to measure these values is regularly improving, so one would expect that the accuracy of these values should be improving with time.

  6. Updated Atomic Weights: Time to Review Our Table

    SciTech Connect

    Tyler B. Coplen; Holden, Norman E.; Meyers, Fabienne

    2016-04-05

    Many readers might wonder what can be new about atomic weights and why such a subject deserves even a short paper in Chemistry Views magazine. However, despite common belief, atomic weights are not constants of nature. Scientists' ability to measure these values is regularly improving, so one would expect that the accuracy of these values should be improving with time.

  7. Is It Time to Retire the Hybrid Atomic Orbital?

    ERIC Educational Resources Information Center

    Grushow, Alexander

    2011-01-01

    A rationale for the removal of the hybrid atomic orbital from the chemistry curriculum is examined. Although the hybrid atomic orbital model does not accurately predict spectroscopic energies, many chemical educators continue to use and teach the model despite the confusion it can cause for students. Three arguments for retaining the model in the…

  8. School Chemistry vs. Chemistry in Research: An Exploratory Experiment.

    ERIC Educational Resources Information Center

    Habraken, Clarisse L.; Buijs, Wim; Borkent, Hens; Ligeon, Willy; Wender, Harry; Meijer, Marijn

    2001-01-01

    Reports on a study exploring why students are not studying chemistry. Three groups of graduating high school students and their chemistry teachers stayed at a research institute working on molecular modeling and wrote essays on school chemistry versus chemistry in research. Concludes that school chemistry does not convey today's chemistry in…

  9. Solar Hot Water Heater

    NASA Technical Reports Server (NTRS)

    1978-01-01

    The solar panels pictured below, mounted on a Moscow, Idaho home, are part of a domestic hot water heating system capable of providing up to 100 percent of home or small business hot water needs. Produced by Lennox Industries Inc., Marshalltown, Iowa, the panels are commercial versions of a collector co-developed by NASA. In an effort to conserve energy, NASA has installed solar collectors at a number of its own facilities and is conducting research to develop the most efficient systems. Lewis Research Center teamed with Honeywell Inc., Minneapolis, Minnesota to develop the flat plate collector shown. Key to the collector's efficiency is black chrome coating on the plate developed for use on spacecraft solar cells, the coating prevents sun heat from "reradiating," or escaping outward. The design proved the most effective heat absorber among 23 different types of collectors evaluated in a Lewis test program. The Lennox solar domestic hot water heating system has three main components: the array of collectors, a "solar module" (blue unit pictured) and a conventional water heater. A fluid-ethylene glycol and water-is circulated through the collectors to absorb solar heat. The fluid is then piped to a double-walled jacket around a water tank within the solar module.

  10. Jupiter's Hot, Mushy Moon

    NASA Technical Reports Server (NTRS)

    Taylor, G. Jeffrey

    2003-01-01

    Jupiter's moon Io is the most volcanically active body in the Solar System. Observations by instruments on the Galileo spacecraft and on telescopes atop Mauna Kea in Hawai'i indicate that lava flows on Io are surprisingly hot, over 1200 oC and possibly as much as 1300 oC; a few areas might have lava flows as hot as 1500 oC. Such high temperatures imply that the lava flows are composed of rock that formed by a very large amount of melting of Io's mantle. This has led Laszlo Keszthelyi and Alfred S. McEwen of the University of Arizona and me to reawaken an old hypothesis that suggests that the interior of Io is a partially-molten mush of crystals and magma. The idea, which had fallen out of favor for a decade or two, explains high-temperature hot spots, mountains, calderas, and volcanic plains on Io. If correct, Io gives us an opportunity to study processes that operate in huge, global magma systems, which scientists believe were important during the early history of the Moon and Earth, and possibly other planetary bodies as well. Though far from proven, the idea that Io has a ocean of mushy magma beneath its crust can be tested with measurements by future spacecraft.

  11. Green Chemistry and Education.

    ERIC Educational Resources Information Center

    Hjeresen, Dennis L.; Schutt, David L.; Boese, Janet M.

    2000-01-01

    Many students today are profoundly interested in the sustainability of their world. Introduces Green Chemistry and its principles with teaching materials. Green Chemistry is the use of chemistry for pollution prevention and the design of chemical products and processes that are environmentally benign. (ASK)

  12. Teaching School Chemistry.

    ERIC Educational Resources Information Center

    Waddington, D. J., Ed.

    This eight-chapter book is intended for use by chemistry teachers, curriculum developers, teacher educators, and other key personnel working in the field of chemical education. The chapters are: (1) "The Changing Face of Chemistry" (J. A. Campbell); (2) "Curriculum Innovation in School Chemistry" (R. B. Ingel and A. M.…

  13. Chemistry and Art.

    ERIC Educational Resources Information Center

    Berry, Martyn

    1999-01-01

    Describes a Chemistry and Art project developed for secondary students and teachers sponsored by the National Gallery and The Royal Society of Chemistry in the United Kingdom. Discusses aspects of the techniques used in creating five paintings as well as the chemistry involved in their making, deterioration, conservation, and restoration.…

  14. Chemistry as General Education

    ERIC Educational Resources Information Center

    Tro, Nivaldo J.

    2004-01-01

    The efficacy of different science and chemistry courses for science-major and non-major students, and the question of chemistry's contribution to general education are evaluated. Chemistry and science curriculum are too profession- and consumer-oriented, and to overcome this problem, it is advised that all disciplines must incorporate the major…

  15. Mechanisms in Photographic Chemistry

    ERIC Educational Resources Information Center

    Sahyun, M. R. V.

    1974-01-01

    Reviews current research interests in photographic chemistry, involving two proposed models for spectral sensitization of crystal defects and impurities in the photolysis reactivity and the mechanisms of development and complexation. Establishment of photographic chemistry in a chemistry curriculum is recommended. (CC)

  16. Chemistry as General Education

    NASA Astrophysics Data System (ADS)

    Tro, Nivaldo J.

    2004-01-01

    Science courses are common in most general education requirements. This paper addresses the role of chemistry classes in meeting these requirements. Chemistry professors have for many years questioned the appropriateness of the standard introductory chemistry course as general education, resulting in the growing popularity of specialized non-majors courses. I suggest that current non-major chemistry courses cover too much consumer chemistry and ignore some of the big contributions of chemistry to human knowledge. Majors chemistry courses, while they prepare students for majoring in science, do not address these issues either. Consequently, chemistry courses are often an ineffective and unpopular way to meet general education science requirements. Part of the reason for this dilemma is the lack of chemists who address the contributions of chemistry to human knowledge in general. I propose that faculty at liberal arts colleges engage in this important task and that non-majors chemistry textbooks incorporate questions and issues that relate chemistry to a broader view of human knowledge. If these things happen, perhaps chemistry courses will become more effective as general education.

  17. Bioinorganic Chemistry of the Alkali Metal Ions.

    PubMed

    Kim, Youngsam; Nguyen, Thuy-Tien T; Churchill, David G

    2016-01-01

    The common Group 1 alkali metals are indeed ubiquitous on earth, in the oceans and in biological systems. In this introductory chapter, concepts involving aqueous chemistry and aspects of general coordination chemistry and oxygen atom donor chemistry are introduced. Also, there are nuclear isotopes of importance. A general discussion of Group 1 begins from the prevalence of the ions, and from a comparison of their ionic radii and ionization energies. While oxygen and water molecule binding have the most relevance to biology and in forming a detailed understanding between the elements, there is a wide range of basic chemistry that is potentially important, especially with respect to biological chelation and synthetic multi-dentate ligand design. The elements are widely distributed in life forms, in the terrestrial environment and in the oceans. The details about the workings in animal, as well as plant life are presented in this volume. Important biometallic aspects of human health and medicine are introduced as well. Seeing as the elements are widely present in biology, various particular endogenous molecules and enzymatic systems can be studied. Sodium and potassium are by far the most important and central elements for consideration. Aspects of lithium, rubidium, cesium and francium chemistry are also included; they help in making important comparisons related to the coordination chemistry of Na(+) and K(+). Physical methods are also introduced.

  18. 113. ARAI Hot cell (ARA626) Building wall sections and details ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    113. ARA-I Hot cell (ARA-626) Building wall sections and details of radio chemistry lab. Shows high-bay roof over hot cells and isolation rooms below grade storage pit for fuel elements. Norman Engineering Company: 961-area/SF-626-A-4. Date: January 1959. Ineel index code no. 068-0626-00-613-102724. - Idaho National Engineering Laboratory, Army Reactors Experimental Area, Scoville, Butte County, ID

  19. Cannabinoids: occurrence and medicinal chemistry.

    PubMed

    Appendino, G; Chianese, G; Taglialatela-Scafati, O

    2011-01-01

    With an inventory of several hundreds secondary metabolites identified, Cannabis sativa L. (hemp) is one of the phytochemically best characterized plant species. The biomedical relevance of hemp undoubtedly underlies the wealth of data on its constituents and their biological activities, and cannabinoids, a class of unique meroterpenoids derived from the alkylation of an olivetollike alkyl resorcinol with a monoterpene unit, are the most typical constituents of Cannabis. In addition to the well-known psychotropic properties of Δ(9)-THC, cannabinoids have been reported to show potential in various fields of medicine, with the capacity to address unmet needs like the relief of chemotherapy-derived nausea and anorexia, and symptomatic mitigation of multiple sclerosis. Many of the potential therapeutic uses of cannabinoids are related to the interaction with (at least) two cannabinoid G-protein coupled receptors (CB1 and CB2). However, a number of activities, like the antibacterial or the antitumor properties are non totally dependent or fully independent from the interaction with these proteins. These pharmacological activities are particularly interesting since, in principle, they could be easily dissociated by the unwanted psychotropic effects. This review aims at giving readers a survey of the more recent advances in both phytochemistry of C. sativa, the medicinal chemistry of cannabinoids, and their distribution in plants, highlighting the impact that research in these hot fields could have for modern medicinal chemistry and pharmacology.

  20. Depomedroxyprogesterone acetate for hot flashes.

    PubMed

    Barton, Debra; Loprinzi, Charles; Quella, Susan; Sloan, Jeff; Pruthi, Sandya; Novotny, Paul

    2002-12-01

    To evaluate the efficacy of a long-acting preparation of medroxyprogesterone acetate for hot flash management, 3 men receiving androgen ablation therapy for prostate cancer and 15 women with a history of breast cancer were treated as part of clinical practice with three biweekly intramuscular injections of 500 mg depomedroxyprogesterone. A review of hot flash diaries and patient charts were completed to evaluate the effectiveness and tolerability of these injections for managing hot flashes. Treatment was associated with an approximate 90% decrease in hot flashes (95% CI 82-97%). Daily hot flash frequency decreased from a mean of 10.9 on the first day of treatment (95% CI 8.0-13.8 hot flashes per day) to a mean of 1.1 hot flashes 6 weeks later (95% CI 0.5-1.8 hot flashes) and to a mean of 0.7 hot flashes 12 weeks following therapy initiation (95% CI 0.1-1.2). Improvement in the hot flashes remained for months after discontinuing the injections in many patients. Reported side effects were minimal. This experience suggests that treatment with depomedroxyprogesterone may be an effective and well-tolerated option for the treatment of hot flashes.

  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. On the chemical ladder of esters. Detection and formation of ethyl formate in the W51 e2 hot molecular core

    NASA Astrophysics Data System (ADS)

    Rivilla, V. M.; Beltrán, M. T.; Martín-Pintado, J.; Fontani, F.; Caselli, P.; Cesaroni, R.

    2017-02-01

    Context. In recent years, the detection of organic molecules with increasing complexity and potential biological relevance is opening the possibility to understand the formation of the building blocks of life in the interstellar medium. One of the families of molecules of substantial astrobiological interest are the esters. The simplest ester, methyl formate (CH3OCHO), is rather abundant in star-forming regions. The next step in the chemical complexity of esters is ethyl formate, C2H5OCHO. Despite the increase in sensitivity of current telescopes, the detection of complex molecules with more than ten atoms such as C2H5OCHO is still a challenge. Only two detections of this species have been reported so far, which strongly limits our understanding of how complex molecules are formed in the interstellar medium. New detections towards additional sources with a wide range of physical conditions are crucial to differentiate between competing chemical models based on dust grain surface and gas-phase chemistry. Aims: We have searched for ethyl formate towards the W51 e2 hot molecular core, one of the most chemically rich sources in the Galaxy and one of the most promising regions to study prebiotic chemistry, especially after the recent discovery of the P-O bond, key in the formation of DNA. Methods: We have analyzed a spectral line survey towards the W51 e2 hot molecular core, which covers 44 GHz in the 1, 2 and 3 mm bands, carried out with the IRAM 30 m telescope. Results: We report the detection of the trans and gauche conformers of ethyl formate. A local thermodynamic equilibrium analysis indicates that the excitation temperature is 78 ± 10 K and that the two conformers have similar source-averaged column densities of (2.0 ± 0.3) × 10-16 cm-2 and an abundance of 10-8. We compare for the first time the observed molecular abundances of ethyl formate with different competing chemical models based on grain surface and gas-phase chemistry. Conclusions: We propose that

  3. PREFACE: Hot Quarks 2004

    NASA Astrophysics Data System (ADS)

    Antinori, Federico; Bass, Steffen A.; Bellwied, Rene; Ullrich, Thomas; Velkovska, Julia; Wiedemann, Urs

    2005-04-01

    Why another conference devoted to ultra-relativistic heavy-ion physics? As we looked around the landscape of the existing international conferences and workshops, we realized that there was not a single one tailored to the people who are most directly involved with the actual research work: students, post-docs, and junior faculty/research scientists. Of course there are schools, but that was not what we had in mind. We wanted a meeting where young researchers could come together to discuss in depth the physics that they are working on without any hindrance. The major conferences have very limited time for discussions which is often shared amongst the most established. This leaves little room for young people to ask their questions and to get the detailed feedback which they deserve and which satisfies their curiosity. A discussion-driven workshop, centering on those without whom there will be no future—that seemed like what was needed. And thus the Hot Quarks workshop was born. The aim of Hot Quarks was to enhance the direct exchange of scientific information among the younger members of the community, from both experiment and theory. Participation was by invitation only in order to emphasize the contributions from junior researchers. This approach makes the workshop unique among the many forums in the field. For young scientists it represented an opportunity for exposure that they would not have had in one of the major conferences. The hope is that this meeting has helped to stimulate the next generation of scientists in our field and, at the same time, strengthened their sense of community. It all came together from 18 24 July 2004, when the 77 participants met at The Inn at Snakedance in the Taos Ski Valley, New Mexico, USA, for the first Hot Quarks workshop. Photograph Participants gather in the sunshine at the foot of the Taos Ski Valley chairlift. By all accounts, Hot Quarks 2004 was a great success. Every participant had the opportunity to present her or

  4. The role of fluorine in medicinal chemistry.

    PubMed

    Shah, Poonam; Westwell, Andrew D

    2007-10-01

    The small and highly electronegative fluorine atom can play a remarkable role in medicinal chemistry. Selective installation of fluorine into a therapeutic or diagnostic small molecule candidate can enhance a number of pharmacokinetic and physicochemical properties such as improved metabolic stability and enhanced membrane permeation. Increased binding affinity of fluorinated drug candidates to target protein has also been documented in a number of cases. A further emerging application of the fluorine atom is the use of 18F as a radiolabel tracer atom in the exquisitely sensitive technique of Positron Emission Tomography (PET) imaging. This short review aims to bring together these various aspects of the use of fluorine in medicinal chemistry applications, citing selected examples from across a variety of therapeutic and diagnostic settings. The increasingly routine incorporation of fluorine atom(s) into drug candidates suggests a bright future for fluorine in drug discovery and development. A major challenge moving forward will be how and where to install fluorine in a rational sense to best optimise molecular properties.

  5. Principles of Environmental Chemistry

    NASA Astrophysics Data System (ADS)

    Hathaway, Ruth A.

    2007-07-01

    Roy M. Harrison, Editor RSC Publishing; ISBN 0854043713; × + 363 pp.; 2006; $69.95 Environmental chemistry is an interdisciplinary science that includes chemistry of the air, water, and soil. Although it may be confused with green chemistry, which deals with potential pollution reduction, environmental chemistry is the scientific study of the chemical and biochemical principles that occur in nature. Therefore, it is the study of the sources, reactions, transport, effects, and fates of chemical species in the air, water, and soil environments, and the effect of human activity on them. Environmental chemistry not only explores each of these environments, but also closely examines the interfaces and boundaries where the environments intersect.

  6. Near-monodisperse poly(2-(methacryloyloxy)ethyl phosphorylcholine)-based macromonomers prepared by atom transfer radical polymerization and thiol-ene click chemistry: novel reactive steric stabilizers for aqueous emulsion polymerization.

    PubMed

    Warren, Nicholas J; Muise, Carl; Stephens, Alex; Armes, Steven P; Lewis, Andrew L

    2012-02-07

    Poly(2-(methacryloyloxy)ethyl phosphorylcholine) (PMPC) macromonomers have been prepared by the atom transfer radical polymerization (ATRP) of 2-(methacryloyloxy)ethyl phosphorylcholine (MPC) using a bifunctional disulfide-based initiator. To attach a terminal polymerizable methacrylate group, the central disulfide bond was cleaved and the resulting thiols were conjugated to 3-(acryloyloxy)-2-hydroxypropyl methacrylate using tris(2-carboxyethyl)phosphine (TCEP) in water. Here TCEP serves as both the disulfide cleavage agent and also the catalyst for the subsequent Michael addition, which is highly selective for the acrylate group. The resulting methacrylate-terminated macromonomers were used as a reactive steric stabilizer for the aqueous emulsion polymerization of styrene, yielding near-monodisperse PMPC-stabilized polystyrene (PS) latexes of around 100-200 nm in diameter. As a comparison, the disulfide-containing PMPC homopolymer precursor and the intermediate thiol-functional PMPC homopolymer (PMPC-SH) were also evaluated as potential steric stabilizers. Interestingly, near-monodisperse latexes were also obtained in each case. These three sterically-stabilized latexes, prepared using either PMPC macromonomer, disulfide-based PMPC homopolymer, or PMPC-SH homopolymer as a reactive steric stabilizer, remained colloidally stable after both freeze-thaw experiments and the addition of an electrolyte, indicating that a coronal layer of PMPC chains prevented flocculation in each case. In contrast, both a charge-stabilized PS latex prepared in the absence of any steric stabilizer and a PS latex prepared in the presence of a nonfunctional PMPC homopolymer exhibited very poor colloidal stability when subjected to a freeze-thaw cycle or the addition of an electrolyte, as expected.

  7. The importance of dye chemistry and TiCl4 surface treatment in the behavior of Al2O3 recombination barrier layers deposited by atomic layer deposition in solid-state dye-sensitized solar cells.

    PubMed

    Brennan, Thomas P; Bakke, Jonathan R; Ding, I-Kang; Hardin, Brian E; Nguyen, William H; Mondal, Rajib; Bailie, Colin D; Margulis, George Y; Hoke, Eric T; Sellinger, Alan; McGehee, Michael D; Bent, Stacey F

    2012-09-21

    Atomic layer deposition (ALD) was used to fabricate Al(2)O(3) recombination barriers in solid-state dye-sensitized solar cells (ss-DSSCs) employing an organic hole transport material (HTM) for the first time. Al(2)O(3) recombination barriers of varying thickness were incorporated into efficient ss-DSSCs utilizing the Z907 dye adsorbed onto a 2 μm-thick nanoporous TiO(2) active layer and the HTM spiro-OMeTAD. The impact of Al(2)O(3) barriers was also studied in devices employing different dyes, with increased active layer thicknesses, and with substrates that did not undergo the TiCl(4) surface treatment. In all instances, electron lifetimes (as determined by transient photovoltage measurements) increased and dark current was suppressed after Al(2)O(3) deposition. However, only when the TiCl(4) treatment was eliminated did device efficiency increase; in all other instances efficiency decreased due to a drop in short-circuit current. These results are attributed in the former case to the similar effects of Al(2)O(3) ALD and the TiCl(4) surface treatment whereas the insulating properties of Al(2)O(3) hinder charge injection and lead to current loss in TiCl(4)-treated devices. The impact of Al(2)O(3) barrier layers was unaffected by doubling the active layer thickness or using an alternative ruthenium dye, but a metal-free donor-π-acceptor dye exhibited a much smaller decrease in current due to its higher excited state energy. We develop a model employing prior research on Al(2)O(3) growth and dye kinetics that successfully predicts the reduction in device current as a function of ALD cycles and is extendable to different dye-barrier systems.

  8. The Separate and Collective Effects of Personalization, Personification, and Gender on Learning with Multimedia Chemistry Instructional Materials

    ERIC Educational Resources Information Center

    Halkyard, Shannon

    2012-01-01

    Chemistry is a difficult subject to learn and teach for students in general. Additionally, female students are under-represented in chemistry and the physical sciences. Within chemistry, atomic and electronic structure is a key concept and several recommendations in the literature describe how this topic can be taught better. These recommendations…

  9. Not so hot "hot spots" in the oceanic mantle.

    PubMed

    Bonath, E

    1990-10-05

    Excess volcanism and crustal swelling associated with hot spots are generally attributed to thermal plumes upwelling from the mantle. This concept has been tested in the portion of the Mid-Atlantic Ridge between 34 degrees and 45 degrees (Azores hot spot). Peridotite and basalt data indicate that the upper mantle in the hot spot has undergone a high degree of melting relative to the mantle elsewhere in the North Atlantic. However, application of various geothermometers suggests that the temperature of equilibration of peridotites in the mantle was lower, or at least not higher, in the hot spot than elsewhere. The presence of H(2)O-rich metasomatized mantle domains, inferred from peridotite and basalt data, would lower the melting temperature of the hot spot mantle and thereby reconcile its high degree ofmelting with the lack of a mantle temperature anomaly. Thus, some so-called hot spots might be melting anomalies unrelated to abnormally high mantle temperature or thermal plumes.

  10. Stationary light in cold-atomic gases

    SciTech Connect

    Nikoghosyan, Gor; Fleischhauer, Michael

    2009-07-15

    We discuss stationary light created by a pair of counterpropagating control fields in {lambda}-type atomic gases with electromagnetically induced transparency for the case of negligible Doppler broadening. In this case, the secular approximation used in the discussion of stationary light in hot vapors is no longer valid. We discuss the quality of the effective light-trapping system and show that in contrast to previous claims it is finite even for vanishing ground-state dephasing. The dynamics of the photon loss is in general nonexponential and can be faster or slower than in hot gases.

  11. Clarifying atomic weights: A 2016 four-figure table of standard and conventional atomic weights

    USGS Publications Warehouse

    Coplen, Tyler B.; Meyers, Fabienne; Holden, Norman E.

    2017-01-01

    To indicate that atomic weights of many elements are not constants of nature, in 2009 and 2011 the Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry (IUPAC) replaced single-value standard atomic weight values with atomic weight intervals for 12 elements (hydrogen, lithium, boron, carbon, nitrogen, oxygen, magnesium, silicon, sulfur, chlorine, bromine, and thallium); for example, the standard atomic weight of nitrogen became the interval [14.00643, 14.00728]. CIAAW recognized that some users of atomic weight data only need representative values for these 12 elements, such as for trade and commerce. For this purpose, CIAAW provided conventional atomic weight values, such as 14.007 for nitrogen, and these values can serve in education when a single representative value is needed, such as for molecular weight calculations. Because atomic weight values abridged to four figures are preferred by many educational users and are no longer provided by CIAAW as of 2015, we provide a table containing both standard atomic weight values and conventional atomic weight values abridged to four figures for the chemical elements. A retrospective review of changes in four-digit atomic weights since 1961 indicates that changes in these values are due to more accurate measurements over time or to the recognition of the impact of natural isotopic fractionation in normal terrestrial materials upon atomic weight values of many elements. Use of the unit “u” (unified atomic mass unit on the carbon mass scale) with atomic weight is incorrect because the quantity atomic weight is dimensionless, and the unit “amu” (atomic mass unit on the oxygen scale) is an obsolete term: Both should be avoided.

  12. A model of hollow cathode plasma chemistry

    NASA Technical Reports Server (NTRS)

    Katz, I.; Anderson, J. R.; Polk, J. E.; Brophy, J. R.

    2002-01-01

    We have developed a new model of hollow cathode plasma chemistry based on the observation that xenon ion mobility is diffusion limited due to resonant charge exchange reactions. The model shows that vapor phase barium atoms are ionized almost immediately and electric fields accelerate the ions upstream from the emission zone. We have also applied the model to the orifice region, where the resultant ion generation profile correlates with previously reported orifice erosion.

  13. Atom Skimmers and Atom Lasers Utilizing Them

    NASA Technical Reports Server (NTRS)

    Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

    2005-01-01

    Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

  14. DISEQUILIBRIUM CARBON, OXYGEN, AND NITROGEN CHEMISTRY IN THE ATMOSPHERES OF HD 189733b AND HD 209458b

    SciTech Connect

    Moses, Julianne I.; Visscher, C.; Fortney, J. J.; Showman, A. P.; Lewis, N. K.; Griffith, C. A.; Klippenstein, S. J.; Shabram, M.; Friedson, A. J.; Marley, M. S.; Freedman, R. S.

    2011-08-10

    We have developed a one-dimensional photochemical and thermochemical kinetics and diffusion model to study the effects of disequilibrium chemistry on the atmospheric composition of 'hot-Jupiter' exoplanets. Here we investigate the coupled chemistry of neutral carbon, hydrogen, oxygen, and nitrogen species on HD 189733b and HD 209458b and we compare the model results with existing transit and eclipse observations. We find that the vertical profiles of molecular constituents are significantly affected by transport-induced quenching and photochemistry, particularly on the cooler HD 189733b; however, the warmer stratospheric temperatures on HD 209458b help maintain thermochemical equilibrium and reduce the effects of disequilibrium chemistry. For both planets, the methane and ammonia mole fractions are found to be enhanced over their equilibrium values at pressures of a few bar to less than an mbar due to transport-induced quenching, but CH{sub 4} and NH{sub 3} are photochemically removed at higher altitudes. Disequilibrium chemistry also enhances atomic species, unsaturated hydrocarbons (particularly C{sub 2}H{sub 2}), some nitriles (particularly HCN), and radicals like OH, CH{sub 3}, and NH{sub 2}. In contrast, CO, H{sub 2}O, N{sub 2}, and CO{sub 2} more closely follow their equilibrium profiles, except at pressures {approx}<1 {mu}bar, where CO, H{sub 2}O, and N{sub 2} are photochemically destroyed and CO{sub 2} is produced before its eventual high-altitude destruction. The enhanced abundances of CH{sub 4}, NH{sub 3}, and HCN are expected to affect the spectral signatures and thermal profiles of HD 189733b and other relatively cool, transiting exoplanets. We examine the sensitivity of our results to the assumed temperature structure and eddy diffusion coefficients and discuss further observational consequences of these models.

  15. Hot oiling spreadsheet

    SciTech Connect

    Mansure, A.J.

    1996-09-01

    One of the most common oil-field treatments is hot oiling to remove paraffin from wells. Even though the practice is common, the thermal effectiveness of the process is not commonly understood. In order for producers to easily understand the thermodynamics of hot oiling, a simple tool is needed for estimating downhole temperatures. Such a tool has been developed that was distributed as a compiled, public-domain-software spreadsheet. That spreadsheet has evolved into an interactive from on the World Wide Web and has been adapted into a Windows{trademark} program by Petrolite, St. Louis MO. The development of such a tools was facilitated by expressing downhole temperatures in terms of analytic formulas. Considerable algebraic work is required to develop such formulas. Also, the data describing hot oiling is customarily a mixture of practical units that must be converted to a consistent set of units. To facilitate the algebraic manipulations and to assure unit conversions are correct, during development parallel calculations were made using the spreadsheet and a symbolic mathematics program. Derivation of the formulas considered falling film flow in the annulus and started from the transient differential equations so that the effects of the heat capacity of the tubing and casing could be included. While this approach to developing a software product does not have the power and sophistication of a finite element or difference code, it produces a user friendly product that implements the equations solved with a minimum potential for bugs. This allows emphasis in development of the product to be placed on the physics.

  16. Hot air drum evaporator

    DOEpatents

    Black, Roger L.

    1981-01-01

    An evaporation system for aqueous radioactive waste uses standard 30 and 55 gallon drums. Waste solutions form cascading water sprays as they pass over a number of trays arranged in a vertical stack within a drum. Hot dry air is circulated radially of the drum through the water sprays thereby removing water vapor. The system is encased in concrete to prevent exposure to radioactivity. The use of standard 30 and 55 gallon drums permits an inexpensive compact modular design that is readily disposable, thus eliminating maintenance and radiation build-up problems encountered with conventional evaporation systems.

  17. Hot cell examination table

    DOEpatents

    Gaal, Peter S.; Ebejer, Lino P.; Kareis, James H.; Schlegel, Gary L.

    1991-01-01

    A table for use in a hot cell or similar controlled environment for use in examining specimens. The table has a movable table top that can be moved relative to a table frame. A shaft is fixedly mounted to the frame for axial rotation. A shaft traveler having a plurality of tilted rollers biased against the shaft is connected to the table top such that rotation of the shaft causes the shaft traveler to roll along the shaft. An electromagnetic drive is connected to the shaft and the frame for controllably rotating the shaft.

  18. Hot Subluminous Stars

    NASA Astrophysics Data System (ADS)

    Heber, U.

    2016-08-01

    Hot subluminous stars of spectral type B and O are core helium-burning stars at the blue end of the horizontal branch or have evolved even beyond that stage. Most hot subdwarf stars are chemically highly peculiar and provide a laboratory to study diffusion processes that cause these anomalies. The most obvious anomaly lies with helium, which may be a trace element in the atmosphere of some stars (sdB, sdO) while it may be the dominant species in others (He-sdB, He-sdO). Strikingly, the distribution in the Hertzsprung-Russell diagram of He-rich versus He-poor hot subdwarf stars of the globular clusters ω Cen and NGC 2808 differ from that of their field counterparts. The metal-abundance patterns of hot subdwarfs are typically characterized by strong deficiencies of some lighter elements as well as large enrichments of heavy elements. A large fraction of sdB stars are found in close binaries with white dwarf or very low-mass main sequence companions, which must have gone through a common-envelope (CE) phase of evolution. Because the binaries are detached they provide a clean-cut laboratory to study this important but yet poorly understood phase of stellar evolution. Hot subdwarf binaries with sufficiently massive white dwarf companions are viable candidate progenitors of type Ia supernovae both in the double degenerate as well as in the single degenerate scenario as helium donors for double detonation supernovae. The hyper-velocity He-sdO star US 708 may be the surviving donor of such a double detonation supernova. Substellar companions to sdB stars have also been found. For HW Vir systems the companion mass distribution extends from the stellar into the brown dwarf regime. A giant planet to the acoustic-mode pulsator V391 Peg was the first discovery of a planet that survived the red giant evolution of its host star. Evidence for Earth-size planets to two pulsating sdB stars have been reported and circumbinary giant planets or brown dwarfs have been found around HW

  19. MSFC hot air collectors

    NASA Technical Reports Server (NTRS)

    Anthony, K.

    1978-01-01

    A description of the hot air collector is given that includes a history of development, a history of the materials development, and a program summary. The major portion of the solar energy system cost is the collector. Since the collector is the heart of the system and the most costly subsystem, reducing the cost of producing collectors in large quantities is a major goal. This solar collector is designed to heat air and/or water cheaply and efficiently through the use of solar energy.

  20. Sulfur donor atom effects on copper(I)/O(2) chemistry with thioanisole containing tetradentate N(3)S ligand leading to μ-1,2-peroxo-dicopper(II) species.

    PubMed

    Lee, Yunho; Lee, Dong-Heon; Park, Ga Young; Lucas, Heather R; Narducci Sarjeant, Amy A; Kieber-Emmons, Matthew T; Vance, Michael A; Milligan, Ashley E; Solomon, Edward I; Karlin, Kenneth D

    2010-10-04

    To better understand the effect of thioether coordination in copper-O(2) chemistry, the tetradentate N(3)S ligand L(ASM) (2-(methylthio)-N,N-bis((pyridin-2-yl)methyl)benzenamine) and related alkylether ligand L(EOE) (2-ethoxy-N,N-bis((pyridin-2-yl)methyl)ethanamine) have been studied. The corresponding copper(I) complexes, [(L(ASM))Cu(I)](+) (1a) and [(L(EOE))Cu(I)](+) (3a), were studied as were the related compound [(L(ESE))Cu(I)](+) (2a, L(ESE) = (2-ethylthio-N,N-bis((pyridin-2-yl)methyl)ethanamine). The X-ray structure of 1a and its solution conductivity reveal a monomeric molecular structure possessing thioether coordination which persists in solution. In contrast, the C-O stretching frequencies of the derivative Cu(I)-CO complexes reveal that for these complexes, the modulated ligand arms, whether arylthioether, alkylthioether, or ether, are not coordinated to the cuprous ion. Electrochemical data for 1a and 2a in CH(3)CN and N,N-dimethylformamide (DMF) show the thioanisole moiety to be a poor electron donor compared to alkylthioether (1a is ∼200 mV more positive than 2a). The structures of [(L(ASM))Cu(II)(CH(3)OH)](2+) (1c) and [(L(ESE))Cu(II)(CH(3)OH)](2+) (2c) have also been obtained and indicate nearly identical copper coordination environments. Oxygenation of 1a at reduced temperature gives a characteristic deep blue intermediate [{(L(ASM))Cu(II)}(2)(O(2)(2-))](2+) (1b(P)) with absorption features at 442 (1,500 M(-1) cm(-1)), 530 (8,600 M(-1) cm(-1)), and 605 nm (10,400 M(-1) cm(-1)); these values compare well to the ligand-to-metal charge-transfer (LMCT) transitions previously reported for [{(L(ESE))Cu(II)}(2)(O(2)(2-))](2+) (2b(P)). Resonance Raman data for [{(L(ASM))Cu(II)}(2)(O(2)(2-))](2+) (1b(P)) support the formation of μ-1,2-peroxo species ν(O-O) = 828 cm(-1)(Δ((18)O(2)) = 48), ν(sym)(Cu-O) = 547 cm(-1) (Δ((18)O(2)) = 23), and ν(asym)(Cu-O) = 497 cm(-1) (Δ((18)O(2)) = 22) and suggest the L(ASM) ligand is a poorer electron donor to copper

  1. Sulfur Donor Atom Effects on Copper(I)/O2 Chemistry with Thioanisole Containing Tetradentate N3S Ligand Leading to μ-1,2-Peroxo-Dicopper(II) species

    PubMed Central

    Lee, Yunho; Lee, Dong-Heon; Park, Ga Young; Lucas, Heather R.; Sarjeant, Amy A. Narducci; Kieber-Emmons, Matthew T.; Vance, Michael A.; Milligan, Ashley E.; Solomon, Edward I.; Karlin, Kenneth D.

    2010-01-01

    To better understand the effect of thioether coordination in copper-O2 chemistry, the tetradentate N3S ligand LASM (2-(methylthio)-N,N-bis((pyridin-2-yl)methyl)benzenamine) and related alkylether ligand LEOE (2-ethoxy-N,N-bis((pyridin-2-yl)methyl)ethanamine) have been studied. The corresponding copper(I) complexes, [(LASM)CuI]+ (1a) and [(LEOE)CuI]+ (3a) were studies as were the related compound [(LESE)CuI]+ (2a, LESE = (2-ethylthio-N,N-bis((pyridin-2-yl)methyl)ethanamine). The X-ray structure of 1a and its solution conductivity reveal a monomeric molecular structure possessing thioether coordination which persists in solution. In contrast, the C-O stretching frequencies of the derivative Cu(I)-CO complexes reveal that for these complexes, the modulated ligand arms, whether arylthioether, alkylthioether or ether, are not coordinated to the cuprous ion. Electrochemical data for 1a and 2a in CH3CN and DMF show the thioanisole moiety to be a poor electron donor compared to alkylthioether (1a is ~ 200 mV more positive than 2a). The structures of [(LASM)CuII(CH3OH)]2+ (1c) and [(LESE)CuII(CH3OH)]2+ (2c) have also been obtained and indicate nearly identical copper coordination environments. Oxygenation of 1a at reduced temperature gives a characteristic deep blue colored intermediate [{(LASM)CuII}2(O22−)]2+ (1bP) with absorption features at 442 (1,500 M−1cm−1), 530 (8,600 M−1cm−1) and 605 nm (10,400 M−1cm−1); these values compare well to the LMCT transitions previously reported for [{(LESE)CuII}2(O22−)]2+ (2bP). Resonance Raman data for [{(LASM)CuII}2(O22−)]2+ (1bP) support the formation of μ-1,2-peroxo species (ν(O-O) = 828 cm−1 (Δ(18O2) = 48), νsym(Cu-O) = 547 cm−1 (Δ(18O2) = 23) and νasym(Cu-O) = 497 cm−1 (Δ(18O2) = 22) and suggest the LASM ligand is a poorer electron donor to copper than is LESE. In contrast, the oxygenation of [(LEOE)CuI]+ (3a), possessing an ether donor as an analogue of the thioether in LESE, led to the formation of

  2. Microstructure and properties of hot compacted powders of aluminium alloys.

    PubMed

    Lityńska-Dobrzyńska, L; Dutkiewicz, J; Maziarz, W; Kanciruk, A

    2009-11-01

    Atomized 6061 aluminium alloy powders with and without the addition of 2 wt% Zr were milled for 80 h in a planetary ball mill and hot pressed in vacuum. The milled powders showed microhardness of about 170 HV, which increased after hot pressing up to 260 HV and up to 280 HV for powders without and with the Zr additions, respectively. Compression tests showed the high yield stress of 300 MPa obtained for the hot-pressed sample produced from the initial powders compared with ultimate compression strength of above 800 MPa for that of the milled sample and slightly higher for that with Zr additions. The effect of hot pressing on the structure of powders was investigated using a conventional analytical and high-resolution electron microscopy and high angle annular dark-field scanning transmission electron microscopy combined with energy dispersive X-ray microanalysis. The samples of initial powders hot pressed in vacuum showed a cell structure with particles of the Mg(2)Si and AlFeSi phases in intercell areas. In the milled and hot-pressed sample, the homogeneous structure of small grains of size below 200 nm was observed. The AlFeSi and Mg(2)Si particles with size 20-100 nm were uniformly distributed as well as the Zr rich particles in the Zr containing alloy. The Zr-rich particles containing up to 80 at% Zr were identified as a metastable fcc cubic phase with lattice parameter a= 0.48 nm.

  3. New physics and chemistry in high electrostatic fields

    NASA Astrophysics Data System (ADS)

    Karahka, M. L.; Kreuzer, H. J.

    2016-01-01

    Fields of the order of volts per meter exist along micron-sized tips. They are of the magnitude of fields inside atoms and molecules and can affect their electronic structure. This leads to a continuous periodic table resulting in new field-induced chemistry. We will present a tutorial treatment of this new physics and chemistry explaining such surprising phenomena like covalent bonding of helium to metal surfaces, metallization of semiconductors and insulators, and more.

  4. HOT MOLECULAR CORES IN INFRARED DARK CLOUDS

    SciTech Connect

    Rathborne, J. M.; Garay, G.; Jackson, J. M.; Longmore, S.; Zhang, Q.; Simon, R. E-mail: guido@das.uchile.cl E-mail: slongmore@cfa.harvard.edu E-mail: simonr@ph1.uni-koeln.de

    2011-11-10

    We present high angular resolution continuum images and molecular line spectra obtained at 345 GHz with the Submillimeter Array (SMA) toward two massive cores that lie within Infrared Dark Clouds (IRDCs): G034.43+00.24 MM1 and G024.33+00.11 MM1. Both of these cores contain bright, unresolved (<2'') objects that have previously been imaged in the millimeter/submillimeter continuum with the Institut de RadioAstronomie Millimetrique (IRAM) Plateau de Bure Interferometer and SMA and show complex molecular line chemistry. The new, higher angular resolution SMA continuum images reveal that both cores contain massive (8, 26 M{sub Sun }), unresolved (0.''6; {approx}3000 AU) continuum emission features and emission from many complex molecular transitions, which confirm that these are hot molecular cores, an early stage in the formation of a high-mass star. Because these hot cores are located within IRDCs, they may well represent the very earliest phases in the formation of high-mass protostars and, hence, their detailed study may reveal the initial conditions within high-mass star-forming cores, before they are shredded apart by stellar winds and radiation.

  5. High Atom Number in Microsized Atom Traps

    DTIC Science & Technology

    2015-12-14

    cooling of some atoms in atomic beam. We have reconfigured the apparatus for applying bichromatic forces transverse to the atomic beam, as it will be...apparatus for applying bichromatic forces transverse to the atomic beam, as it will be easier to extend this to two dimensions. Research to develop

  6. EDITORIAL: Atomic layer deposition Atomic layer deposition

    NASA Astrophysics Data System (ADS)

    Godlewski, Marek

    2012-07-01

    The growth method of atomic layer deposition (ALD) was introduced in Finland by Suntola under the name of atomic layer epitaxy (ALE). The method was originally used for deposition of thin films of sulphides (ZnS, CaS, SrS) activated with manganese or rare-earth ions. Such films were grown for applications in thin-film electroluminescence (TFEL) displays. The ALE mode of growth was also tested in the case of molecular beam epitaxy. Films grown by ALD are commonly polycrystalline or even amorphous. Thus, the name ALE has been replaced by ALD. In the 80s ALD was developed mostly in Finland and neighboring Baltic countries. Deposition of a range of different materials was demonstrated at that time, including II-VI semiconductors (e.g. CdTe, CdS) and III-V (e.g. GaAs, GaN), with possible applications in e.g. photovoltaics. The number of publications on ALD was slowly increasing, approaching about 100 each year. A real boom in interest came with the development of deposition methods of thin films of high-k dielectrics. This research was motivated by a high leakage current in field-effect transistors with SiO2-based gate dielectrics. In 2007 Intel introduced a new generation of integrated circuits (ICs) with thin films of HfO2 used as gate isolating layers. In these and subsequent ICs, films of HfO2 are deposited by the ALD method. This is due to their unique properties. The introduction of ALD to the electronics industry led to a booming interest in the ALD growth method, with the number of publications increasing rapidly to well above 1000 each year. A number of new applications were proposed, as reflected in this special issue of Semiconductor Science and Technology. The included articles cover a wide range of possible applications—in microelectronics, transparent electronics, optoelectronics, photovoltaics and spintronics. Research papers and reviews on the basics of ALD growth are also included, reflecting a growing interest in precursor chemistry and growth

  7. Configurable hot spot fixing system

    NASA Astrophysics Data System (ADS)

    Kajiwara, Masanari; Kobayashi, Sachiko; Mashita, Hiromitsu; Aburada, Ryota; Furuta, Nozomu; Kotani, Toshiya

    2014-03-01

    Hot spot fixing (HSF) method has been used to fix many hot spots automatically. However, conventional HSF based on a biasing based modification is difficult to fix many hot spots under a low-k1 lithography condition. In this paper we proposed a new HSF, called configurable hotspot fixing system. The HSF has two major concepts. One is a new function to utilize vacant space around a hot spot by adding new patterns or extending line end edges around the hot spot. The other is to evaluate many candidates at a time generated by the new functions. We confirmed the proposed HSF improves 73% on the number of fixing hot spots and reduces total fixing time by 50% on a device layout equivalent to 28nm-node. The result shows the proposed HSF is effective for layouts under the low-k1 lithography condition.

  8. Radiations from hot nuclei

    NASA Technical Reports Server (NTRS)

    Malik, F. Bary

    1993-01-01

    The investigation indicates that nuclei with excitation energy of a few hundred MeV to BeV are more likely to radiate hot nuclear clusters than neutrons. These daughter clusters could, furthermore, de-excite emitting other hot nuclei, and the chain continues until these nuclei cool off sufficiently to evaporate primarily neutrons. A few GeV excited nuclei could radiate elementary particles preferentially over neutrons. Impact of space radiation with materials (for example, spacecraft) produces highly excited nuclei which cool down emitting electromagnetic and particle radiations. At a few MeV excitation energy, neutron emission becomes more dominant than gamma-ray emission and one often attributes the cooling to take place by successive neutron decay. However, a recent experiment studying the cooling process of 396 MeV excited Hg-190 casts some doubt on this thinking, and the purpose of this investigation is to explore the possibility of other types of nuclear emission which might out-compete with neutron evaporation.

  9. Atomic magnetometer

    DOEpatents

    Schwindt, Peter [Albuquerque, NM; Johnson, Cort N [Albuquerque, NM

    2012-07-03

    An atomic magnetometer is disclosed which uses a pump light beam at a D1 or D2 transition of an alkali metal vapor to magnetically polarize the vapor in a heated cell, and a probe light beam at a different D2 or D1 transition to sense the magnetic field via a polarization rotation of the probe light beam. The pump and probe light beams are both directed along substantially the same optical path through an optical waveplate and through the heated cell to an optical filter which blocks the pump light beam while transmitting the probe light beam to one or more photodetectors which generate electrical signals to sense the magnetic field. The optical waveplate functions as a quarter waveplate to circularly polarize the pump light beam, and as a half waveplate to maintain the probe light beam linearly polarized.

  10. Hot, Dry and Cloudy

    NASA Technical Reports Server (NTRS)

    2007-01-01

    [figure removed for brevity, see original site] Click on the image for movie of Hot, Dry and Cloudy

    This artist's concept shows a cloudy Jupiter-like planet that orbits very close to its fiery hot star. NASA's Spitzer Space Telescope was recently used to capture spectra, or molecular fingerprints, of two 'hot Jupiter' worlds like the one depicted here. This is the first time a spectrum has ever been obtained for an exoplanet, or a planet beyond our solar system.

    The ground-breaking observations were made with Spitzer's spectrograph, which pries apart infrared light into its basic wavelengths, revealing the 'fingerprints' of molecules imprinted inside. Spitzer studied two planets, HD 209458b and HD 189733b, both of which were found, surprisingly, to have no water in the tops of their atmospheres. The results suggest that the hot planets are socked in with dry, high clouds, which are obscuring water that lies underneath. In addition, HD209458b showed hints of silicates, suggesting that the high clouds on that planet contain very fine sand-like particles.

    Capturing the spectra from the two hot-Jupiter planets was no easy feat. The planets cannot be distinguished from their stars and instead appear to telescopes as single blurs of light. One way to get around this is through what is known as the secondary eclipse technique. In this method, changes in the total light from a so-called transiting planet system are measured as a planet is eclipsed by its star, vanishing from our Earthly point of view. The dip in observed light can then be attributed to the planet alone.

    This technique, first used by Spitzer in 2005 to directly detect the light from an exoplanet, currently only works at infrared wavelengths, where the differences in brightness between the planet and star are less, and the planet's light is easier to pick out. For example, if the experiment had been done in visible light, the total light from the system would appear to be unchanged

  11. How the Principles of Green Chemistry Changed the Way Organic Chemistry Labs Are Taught at the University of Detroit Mercy

    NASA Astrophysics Data System (ADS)

    Mio, Matthew J.

    2017-02-01

    Many logistic and instructional changes followed the incorporation of the 12 principles of green chemistry into organic chemistry laboratory courses at the University of Detroit Mercy. Over the last decade, institutional limitations have been turned into green chemical strengths in many areas, including integration of atom economy metrics into learning outcomes, replacing overly toxic equipment and reagents, and modifying matters of reaction scale and type.

  12. Materials selection for long life in low earth orbit - A critical evaluation of atomic oxygen testing with thermal atom systems

    NASA Technical Reports Server (NTRS)

    Koontz, S. L.; Albyn, K.; Leger, L.

    1990-01-01

    The use of thermal atom test methods as a materials selection and screening technique for low-earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined in thermal atom environments are compared with those observed in LEO and in high-quality LEO simulations. Reaction efficiencies (cu cm/atom) measured in a new type of thermal atom apparatus are one-thousandth to one ten-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of eight in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain speciic thermal atom test environments can be used as reliable materials screening tools.

  13. Surface plasmon polariton-induced hot carrier generation for photocatalysis.

    PubMed

    Ahn, Wonmi; Ratchford, Daniel C; Pehrsson, Pehr E; Simpkins, Blake S

    2017-03-02

    Non-radiative plasmon decay in noble metals generates highly energetic carriers under visible light irradiation, which opens new prospects in the fields of photocatalysis, photovoltaics, and photodetection. While localized surface plasmon-induced hot carrier generation occurs in diverse metal nanostructures, inhomogeneities typical of many metal-semiconductor plasmonic nanostructures hinder predictable control of photocarrier generation and therefore reproducible carrier-mediated photochemistry. Here, we generate traveling surface plasmon polaritons (SPPs) at the interface between a noble metal/titanium dioxide (TiO2) heterostructure film and aqueous solution, enabling simultaneous optical and electrochemical interrogation of plasmon-mediated chemistry in a system whose resonance may be continuously tuned via the incident optical excitation angle. To the best of our knowledge, this is the first experimental demonstration of SPP-induced hot carrier generation for photocatalysis. We found electrochemical photovoltage and photocurrent responses as SPP-induced hot carriers drive both solution-based oxidation of methanol and the anodic half-reaction of photoelectrochemical water-splitting in sodium hydroxide solution. A strong excitation angle dependence and linear power dependence in the electrochemical photocurrent confirm that the photoelectrochemical reactions are SPP-driven. SPP-generated hot carrier chemistry was recorded on gold and silver and with two different excitation wavelengths, demonstrating potential for mapping resonant charge transfer processes with this technique. These results will provide the design criteria for a metal-semiconductor hybrid system with enhanced hot carrier generation and transport, which is important for the understanding and application of plasmon-induced photocatalysis.

  14. Green Chemistry Pedagogy

    NASA Astrophysics Data System (ADS)

    Kolopajlo, Larry

    2017-02-01

    This chapter attempts to show how the practice of chemistry teaching and learning is enriched by the incorporation of green chemistry (GC) into lectures and labs. To support this viewpoint, evidence from a wide range of published papers serve as a cogent argument that GC attracts and engages both science and nonscience students, enhances chemistry content knowledge, and improves the image of the field, while preparing the world for a sustainable future. Published pedagogy associated with green and sustainable chemistry is critically reviewed and discussed.

  15. Connecting Algebra and Chemistry.

    ERIC Educational Resources Information Center

    O'Connor, Sean

    2003-01-01

    Correlates high school chemistry curriculum with high school algebra curriculum and makes the case for an integrated approach to mathematics and science instruction. Focuses on process integration. (DDR)

  16. USSR Report, Chemistry.

    DTIC Science & Technology

    2007-11-02

    Industry, Coal Gasification , Electrochemistry, Inorganic Compounds, Nitrogen Compounds, Organophosphorus Compounds, Petroleum Processing Technology, Pharmacology and Toxicology, Polymers and Polymerization and, Radiation Chemistry.

  17. Science Update: Analytical Chemistry.

    ERIC Educational Resources Information Center

    Worthy, Ward

    1980-01-01

    Briefly discusses new instrumentation in the field of analytical chemistry. Advances in liquid chromatography, photoacoustic spectroscopy, the use of lasers, and mass spectrometry are also discussed. (CS)

  18. TRUEX hot demonstration

    SciTech Connect

    Chamberlain, D.B.; Leonard, R.A.; Hoh, J.C.; Gay, E.C.; Kalina, D.G.; Vandegrift, G.F.

    1990-04-01

    In FY 1987, a program was initiated to demonstrate technology for recovering transuranic (TRU) elements from defense wastes. This hot demonstration was to be carried out with solution from the dissolution of irradiated fuels. This recovery would be accomplished with both PUREX and TRUEX solvent extraction processes. Work planned for this program included preparation of a shielded-cell facility for the receipt and storage of spent fuel from commercial power reactors, dissolution of this fuel, operation of a PUREX process to produce specific feeds for the TRUEX process, operation of a TRUEX process to remove residual actinide elements from PUREX process raffinates, and processing and disposal of waste and product streams. This report documents the work completed in planning and starting up this program. It is meant to serve as a guide for anyone planning similar demonstrations of TRUEX or other solvent extraction processing in a shielded-cell facility.

  19. The Deep Hot Biosphere

    NASA Astrophysics Data System (ADS)

    Craig, Harmon

    The first inhabitants of planet Earth were single-celled microorganisms and they are still with us today. Their name is truly legion, for they live everywhere, from boiling hot springs at the Earth's surface and on the seafloor to the coldest waters of the oceans and the Antarctic lakes. They are the masters of evolutionary adaptation, who have colonized the entire range of conditions under which water can exist as a liquid. At some ancient mythic time billions of years ago in a witches' brew of precursory molecules, somewhere, somehow, on a sunny Precambrian day bright with promise some of these molecules came together in the first coupling, learned to replicate, create enzymes, metabolize, and seal themselves into protective membranes inside of which they began the process of living. How they did this is our greatest mystery, for they are our primordial ancestors and we do not understand ourselves until we understand them.

  20. Distributed Pore Chemistry in Porous Organic Polymers

    NASA Technical Reports Server (NTRS)

    Koontz, Steven L. (Inventor)

    1998-01-01

    A method for making a biocompatible polymer article using a uniform atomic oxygen treatment is disclosed. The sub-strate may be subsequently optionally grated with a compatibilizing compound. Compatibilizing compounds may include proteins, phosphorylcholine groups, platelet adhesion preventing polymers, albumin adhesion promoters, and the like. The compatibilized substrate may also have a living cell layer adhered thereto. The atomic oxygen is preferably produced by a flowing afterglow microwave discharge, wherein the substrate resides in a sidearm out of the plasma. Also, methods for culturing cells for various purposes using the various membranes are disclosed as well. Also disclosed are porous organic polymers having a distributed pore chemistry (DPC) comprising hydrophilic and hydrophobic region, and a method for making the DPC by exposing the polymer to atomic oxygen wherein the rate of hydrophilization is greater than the rate of mass loss.

  1. Distributed Pore Chemistry in Porous Organic Polymers

    NASA Technical Reports Server (NTRS)

    Koontz, Steven L. (Inventor)

    1999-01-01

    A method for making a biocompatible polymer article using a uniform atomic oxygen treatment is disclosed. The substrate may be subsequently optionally grated with a compatibilizing compound. Compatibilizing compounds may include proteins, phosphorylcholine groups, platelet adhesion preventing polymers, albumin adhesion promoters, and the like. The compatibilized substrate may also have a living cell layer adhered thereto. The atomic oxygen is preferably produced by a flowing afterglow microwave discharge. wherein the substrate resides in a sidearm out of the plasma. Also, methods for culturing cells for various purposes using the various membranes are disclosed as well. Also disclosed are porous organic polymers having a distributed pore chemistry (DPC) comprising hydrophilic and hydrophobic regions. and a method for making the DPC by exposing the polymer to atomic oxygen wherein the rate of hydrophilization is greater than the rate of mass loss.

  2. On the chemistry of a-SiO 2 deposition by plasma enhanced CVD

    NASA Astrophysics Data System (ADS)

    Wickramanayaka, Sunil; Nakanishi, Y.; Hatanaka, Y.

    1997-04-01

    The chemistry in depositing a-SiO 2 using tetraethoxysilane, Si(OC 2H 5) 4, (TEOS) and tetraisocyanatesilane, Si(NCO) 4, (TICS) with an oxidant is comparatively studied. In both cases, absorption and desorption reactions of intermediate precursors are seen to be dominant. TEOS/O 2 chemistry, where there is no N atom in the source gas, yields conformal step coverage over patterned surfaces. The precursor or precursors generated in TICS/O 2 chemistry are expected to contain N atom or atoms and have no surface migration property. The N atom in the precursor is believed to limit the surface migration property. This results in an uneven step coverage over patterned surfaces similar to that of SiH 4/O 2 chemistry.

  3. Presidential Green Chemistry Challenge: 2010 Academic Award - James C. Liao and Easel Biotechnologies, LLC

    EPA Pesticide Factsheets

    Presidential Green Chemistry Challenge 2010 award winner, Dr. James C. Liao, genetically engineered microorganisms to make higher alcohols (with 3 to 8 carbon atoms) from glucose or directly from carbon dioxide (CO2).

  4. Radiological and Environmental Research Division annual report, October 1979-September 1980: fundamental molecular physics and chemistry

    SciTech Connect

    Inokuti, Mitio; Dehmer, P. M.; Pratt, S. T.; Poliakoff, E. D.; Dehmer, J. L.; Stockbauer, Roger; Dill, Dan; Parr, A. C.; Jackson, K. H.; Zare, R. N.; Person, J. C.; Nicole, P. P.; Fowler, D. E.; Codling, K.; West, J. B.; Ederer, D. L.; Cole, B. E.; Loomba, D.; Wallace, Scott; Swanson, J. R.; Poliakoff, E. D.; Spence, David; Chupka, W. A.; Stevens, C. M.; Shyn, W. T.; Sharp, W. E.; Kim, Y. K.; Eggarter, E.; Baer, T.; Hanson, J. D.; Shimamura, Isao; Dillon, Michael A.

    1981-09-01

    Research is reported on the physics and chemistry of atoms, ions, and molecules, especially their interactions with external agents such as photons and electrons. Individual items from the report were prepared separately for the data base. (GHT)

  5. Presidential Green Chemistry Challenge: 2005 Greener Synthetic Pathways Award (Merck & Co., Inc.)

    EPA Pesticide Factsheets

    Presidential Green Chemistry Challenge 2005 award winner, Merck, designed an atom-economical, energy- and water-saving, convergent synthesis for aprepitant, the active ingredient in Emend, a drug for nausea and vomiting.

  6. Hot hollow cathode gun assembly

    DOEpatents

    Zeren, J.D.

    1983-11-22

    A hot hollow cathode deposition gun assembly includes a hollow body having a cylindrical outer surface and an end plate for holding an adjustable heat sink, the hot hollow cathode gun, two magnets for steering the plasma from the gun into a crucible on the heat sink, and a shutter for selectively covering and uncovering the crucible.

  7. Infrared hot carrier diode mixer.

    PubMed

    Aukerman, L W; Erler, J W

    1977-11-01

    Detection of a 54.3-GHz beatnote at 10.6 microm has been observed with a hot carrier diode mixer. The diode consists of a "cat whisker" antenna, which forms an ohmic point contact to n-InAs. The mechanism of this room-temperature detector is described as the "thermoelectric effect" of hot carriers.

  8. Interplay of weak interactions in the atom-by-atom condensation of xenon within quantum boxes.

    PubMed

    Nowakowska, Sylwia; Wäckerlin, Aneliia; Kawai, Shigeki; Ivas, Toni; Nowakowski, Jan; Fatayer, Shadi; Wäckerlin, Christian; Nijs, Thomas; Meyer, Ernst; Björk, Jonas; Stöhr, Meike; Gade, Lutz H; Jung, Thomas A

    2015-01-21

    Condensation processes are of key importance in nature and play a fundamental role in chemistry and physics. Owing to size effects at the nanoscale, it is conceptually desired to experimentally probe the dependence of condensate structure on the number of constituents one by one. Here we present an approach to study a condensation process atom-by-atom with the scanning tunnelling microscope, which provides a direct real-space access with atomic precision to the aggregates formed in atomically defined 'quantum boxes'. Our analysis reveals the subtle interplay of competing directional and nondirectional interactions in the emergence of structure and provides unprecedented input for the structural comparison with quantum mechanical models. This approach focuses on-but is not limited to-the model case of xenon condensation and goes significantly beyond the well-established statistical size analysis of clusters in atomic or molecular beams by mass spectrometry.

  9. Two-dimensional flow characteristic of a hot expanding plasma

    NASA Astrophysics Data System (ADS)

    Gabriel, O.; Colsters, P. G. J.; Schram, D. C.; Engeln, R.

    2008-02-01

    A hot argon plasma expansion into a low-pressure background is investigated by means of laser induced fluorescence on argon metastables. The result is a complete two-dimensional flow field of the expanding system that covers the area reaching from the nozzle of the plasma source to the shock front of the expansion. This flow field includes information on atom velocities, densities and temperatures. It consists of two different components: a fast, cool supersonically expanding one and a slow, hot component resulting from invasion of the background gas. This invading component is first present at the outside of the barrel shock and gradually invades the expansion towards the center axis. The supersonic component, dominating the first part of the expansion, shows all characteristics of rarefied hot gas flows: acceleration to twice the sonic velocity of the source, adiabatic cooling and a parallel temperature remaining higher than the perpendicular one. However, the invading component is much slower, but also hotter due to collisions in the expanding flow, and is already present before the shock front. The total flow of argon atoms is also described by computer simulations. The result shows the same behavior as the measured flow. The importance of the invading component for radical production is also demonstrated by LIF measurements on atomic oxygen that is produced from background O2 inside the expanding system.

  10. The atomic orbitals of the topological atom.

    PubMed

    Ramos-Cordoba, Eloy; Salvador, Pedro; Mayer, István

    2013-06-07

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure.

  11. "Bohr's Atomic Model."

    ERIC Educational Resources Information Center

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  12. Bioorganic and bioinorganic chemistry.

    PubMed

    Constable, Edwin C; Housecroft, Catherine E; Creus, Marc; Gademann, Karl; Giese, Bernd; Ward, Thomas R; Woggon, Wolf D; Chougnet, Antoinette

    2010-01-01

    The interdisciplinary projects in bioinorganic and bioorganic chemistry of the Department of Chemistry, University of Basel led to the preparation of new systems that mimic biologically important processes and to the discovery of compounds from natural sources which are very promising with respect to medical applications. The advances in these areas are reported here.

  13. Coupled Phenomena in Chemistry.

    ERIC Educational Resources Information Center

    Matsubara, Akira; Nomura, Kazuo

    1979-01-01

    Various phenomena in chemistry and biology can be understood through Gibbs energy utilization. Some common phenomena in chemistry are explained including neutralization, hydrolysis, oxidation and reaction, simultaneous dissociation equilibrium of two weak acids, and common ion effect on solubility. (Author/SA)

  14. Chemistry from Issues.

    ERIC Educational Resources Information Center

    Harding, Jan; Donaldson, Jim

    1986-01-01

    Describes the "Chemistry from Issues" project at Chelsea College. Provides the background information, rationale, and overall structure of a proposed course about the importance of chemistry to common culture. Outlines one module about the British steel industry that has been taught at King's College. (TW)

  15. Infrared Lasers in Chemistry.

    ERIC Educational Resources Information Center

    John, Phillip

    1982-01-01

    Selected infrared laser chemistry topics are discussed including carbon dioxide lasers, infrared quanta and molecules, laser-induced chemistry, structural isomerization (laser purification, sensitized reactions, and dielectric breakdown), and fundamental principles of laser isotope separation, focusing on uranium isotope separation. (JN)

  16. Chemistry in Microfluidic Channels

    ERIC Educational Resources Information Center

    Chia, Matthew C.; Sweeney, Christina M.; Odom, Teri W.

    2011-01-01

    General chemistry introduces principles such as acid-base chemistry, mixing, and precipitation that are usually demonstrated in bulk solutions. In this laboratory experiment, we describe how chemical reactions can be performed in a microfluidic channel to show advanced concepts such as laminar fluid flow and controlled precipitation. Three sets of…

  17. Pre-Tech Chemistry.

    ERIC Educational Resources Information Center

    Florida Junior Coll., Jacksonville.

    This course guide is designed to aid chemistry instructors in teaching the skills and knowledge needed by those students planning to take junior college chemistry and is composed of 11 terminal performance objectives, with intermediate performance objectives and sample criterion measures. Suggestions for related laboratory activities are also…

  18. Brushing Up on Chemistry.

    ERIC Educational Resources Information Center

    Trantow, Ashley

    2002-01-01

    Presents an activity designed for use during National Chemistry Week 2002 with the theme "Chemistry Keeps Us Clean". Allows students to discover more about a cleaning product they use everyday. Students make their own toothpaste and compare its properties with those of commercial toothpaste. (MM)

  19. Movies in Chemistry Education

    ERIC Educational Resources Information Center

    Pekdag, Bulent; Le Marechal, Jean-Francois

    2010-01-01

    This article reviews numerous studies on chemistry movies. Movies, or moving pictures, are important elements of multimedia and signify a privileged or motivating means of presenting knowledge. Studies on chemistry movies show that the first movie productions in this field were devoted to university lectures or documentaries. Shorter movies were…

  20. Chemistry of Moth Repellents

    ERIC Educational Resources Information Center

    Pinto, Gabriel

    2005-01-01

    An effective way to teach chemistry is to examine the substances used in daily life from a pedagogical viewpoint, from the overlap of science, technology, and society (STS). A study aims to engage students in the topic of moth repellents and to encourage them to investigate the chemistry in this familiar product using a set of questions.

  1. Mathematics and Chemistry

    ERIC Educational Resources Information Center

    Henson, R.; Stumbles, A.

    1977-01-01

    The relationship between mathematics and chemistry has been changing rapidly in recent years. Some chemistry teachers have experienced difficulties in their teaching with the introduction of modern mathematics in the schools. Some suggestions for reinforcing the concepts and language of modern mathematics are put forth. (Author/MA)

  2. Organic Chemistry Made Easy.

    ERIC Educational Resources Information Center

    Bradt, Steve

    1998-01-01

    Student-led workshops are helping undergraduate students learn from each other as they tackle organic chemistry. Each week, small groups brainstorm tough problems in sessions guided by upper-class students who have taken and passed the course. Debating and discussing chemistry problems with peers engages students with the material and boosts…

  3. Undergraduate Chemistry Laboratory

    ERIC Educational Resources Information Center

    Bretz, Stacey Lowery; Fay, Michael; Bruck, Laura B.; Towns, Marcy H.

    2013-01-01

    Forty chemistry faculty from American Chemical Society-approved departments were interviewed to determine their goals for undergraduate chemistry laboratory. Faculty were stratified by type of institution, departmental success with regard to National Science Foundation funding for laboratory reform, and level of laboratory course. Interview…

  4. Hot Spot Cosmic Accelerators

    NASA Astrophysics Data System (ADS)

    2002-11-01

    length of more than 3 million light-years, or no less than one-and-a-half times the distance from the Milky Way to the Andromeda galaxy, this structure is indeed gigantic. The region where the jets collide with the intergalactic medium are known as " hot spots ". Superposing the intensity contours of the radio emission from the southern "hot spot" on a near-infrared J-band (wavelength 1.25 µm) VLT ISAAC image ("b") shows three distinct emitting areas; they are even better visible on the I-band (0.9 µm) FORS1 image ("c"). This emission is obviously associated with the shock front visible on the radio image. This is one of the first times it has been possible to obtain an optical/near-IR image of synchrotron emission from such an intergalactic shock and, thanks to the sensitivity and image sharpness of the VLT, the most detailed view of its kind so far . The central area (with the strongest emission) is where the plasma jet from the galaxy centre hits the intergalactic medium. The light from the two other "knots", some 10 - 15,000 light-years away from the central "hot spot", is also interpreted as synchrotron emission. However, in view of the large distance, the astronomers are convinced that it must be caused by electrons accelerated in secondary processes at those sites . The new images thus confirm that electrons are being continuously accelerated in these "knots" - hence called "cosmic accelerators" - far from the galaxy and the main jets, and in nearly empty space. The exact physical circumstances of this effect are not well known and will be the subject of further investigations. The present VLT-images of the "hot spots" near 3C 445 may not have the same public appeal as some of those beautiful images that have been produced by the same instruments during the past years. But they are not less valuable - their unusual importance is of a different kind, as they now herald the advent of fundamentally new insights into the mysteries of this class of remote and active

  5. Biosynthetic inorganic chemistry.

    PubMed

    Lu, Yi

    2006-08-25

    Inorganic chemistry and biology can benefit greatly from each other. Although synthetic and physical inorganic chemistry have been greatly successful in clarifying the role of metal ions in biological systems, the time may now be right to utilize biological systems to advance coordination chemistry. One such example is the use of small, stable, easy-to-make, and well-characterized proteins as ligands to synthesize novel inorganic compounds. This biosynthetic inorganic chemistry is possible thanks to a number of developments in biology. This review summarizes the progress in the synthesis of close models of complex metalloproteins, followed by a description of recent advances in using the approach for making novel compounds that are unprecedented in either inorganic chemistry or biology. The focus is mainly on synthetic "tricks" learned from biology, as well as novel structures and insights obtained. The advantages and disadvantages of this biosynthetic approach are discussed.

  6. William Barlow and the Determination of Atomic Arrangement in Crystals.

    PubMed

    Mauskopf, Seymour H

    2015-04-01

    William Barlow (1845-1934) was an important if unconventional scientist, known for having developed the 'closest-packing' atomic models of crystal structure. He resumed an early nineteenth-century tradition of utilizing crystallographical and chemical data to determine atomic arrangements in crystals. This essay recounts Barlow's career and scientific activity in three parts: (a) His place in the tradition of determining atomic arrangement in context of this earlier tradition and of contemporaneous developments of crystallography and chemistry, (b) his unconventional career, and (c) the 'success' of his program to determine atomic arrangements in crystals and its influence on the work of William Lawrence Bragg.

  7. Using Computer Visualization Models in High School Chemistry: The Role of Teacher Beliefs.

    ERIC Educational Resources Information Center

    Robblee, Karen M.; Garik, Peter; Abegg, Gerald L.; Faux, Russell; Horwitz, Paul

    This paper discusses the role of high school chemistry teachers' beliefs in implementing computer visualization software to teach atomic and molecular structure from a quantum mechanical perspective. The informants in this study were four high school chemistry teachers with comparable academic and professional backgrounds. These teachers received…

  8. Curriculum Outline for Introduction to Engineering Chemistry. Second Edition. Review Cycle-Annual.

    ERIC Educational Resources Information Center

    Schlenker, Richard M.

    Introduction to Engineering Chemistry is a four-credit hour (one semester) course designed to introduce marine engineering students to the rudiments of basic (introductory) inorganic chemistry. The course consists of 18 units (numbered 1.0 through 18.0) focusing on these subject areas: fundamental concepts; structure of the atom and the periodic…

  9. Web-Based Job Submission Interface for the GAMESS Computational Chemistry Program

    ERIC Educational Resources Information Center

    Perri, M. J.; Weber, S. H.

    2014-01-01

    A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.

  10. Illustrating Concepts in Physical Organic Chemistry with 3D Printed Orbitals

    ERIC Educational Resources Information Center

    Robertson, Michael J.; Jorgensen, William L.

    2015-01-01

    Orbital theory provides a powerful tool for rationalizing and understanding many phenomena in chemistry. In most introductory chemistry courses, students are introduced to atomic and molecular orbitals in the form of two-dimensional drawings. In this work, we describe a general method for producing 3D printing files of orbital models that can be…

  11. Art in Chemistry; Chemistry in Art.

    ERIC Educational Resources Information Center

    Greenberg, Barbara R.; Patterson, Dianne

    High school teachers are often challenged to motivate students who have little or no interest in a subject and are bored with traditional instruction. This unique book is designed to help educators make chemistry classes more interesting and links art curriculum to practical applications, integrating the two subjects through scores of hands-on…

  12. Korean Kimchi Chemistry: A Multicultural Chemistry Connection

    ERIC Educational Resources Information Center

    Murfin, Brian

    2009-01-01

    Connecting science with different cultures is one way to interest students in science, to relate science to their lives, and at the same time to broaden their horizons in a variety of ways. In the lesson described here, students make kimchi, a delicious and popular Korean dish that can be used to explore many important chemistry concepts,…

  13. EVOLVING FROM GREEN CHEMISTRY TO SUSTAINABLE CHEMISTRY

    EPA Science Inventory

    The twelve principles of green chemistry provide a foundation and pathway which allows researchers to incorporate greenness into existing reactions or when developing new technologies. Research from our laboratory has adopted many of these principles and utlizes them as a major c...

  14. Chemistry of the superheavy elements.

    PubMed

    Schädel, Matthias

    2015-03-13

    The quest for superheavy elements (SHEs) is driven by the desire to find and explore one of the extreme limits of existence of matter. These elements exist solely due to their nuclear shell stabilization. All 15 presently 'known' SHEs (11 are officially 'discovered' and named) up to element 118 are short-lived and are man-made atom-at-a-time in heavy ion induced nuclear reactions. They are identical to the transactinide elements located in the seventh period of the periodic table beginning with rutherfordium (element 104), dubnium (element 105) and seaborgium (element 106) in groups 4, 5 and 6, respectively. Their chemical properties are often surprising and unexpected from simple extrapolations. After hassium (element 108), chemistry has now reached copernicium (element 112) and flerovium (element 114). For the later ones, the focus is on questions of their metallic or possibly noble gas-like character originating from interplay of most pronounced relativistic effects and electron-shell effects. SHEs provide unique opportunities to get insights into the influence of strong relativistic effects on the atomic electrons and to probe 'relativistically' influenced chemical properties and the architecture of the periodic table at its farthest reach. In addition, they establish a test bench to challenge the validity and predictive power of modern fully relativistic quantum chemical models.

  15. Atomic Energy Basics, Understanding the Atom Series.

    ERIC Educational Resources Information Center

    Atomic Energy Commission, Oak Ridge, TN. Div. of Technical Information.

    This booklet is part of the "Understanding the Atom Series," though it is a later edition and not included in the original set of 51 booklets. A basic survey of the principles of nuclear energy and most important applications are provided. These major topics are examined: matter has molecules and atoms, the atom has electrons, the nucleus,…

  16. Environmental chemistry. 5th edition

    SciTech Connect

    Manahan, S.E. . Dept. of Chemistry)

    1991-01-01

    This book is organized around several major sections: aquatic Chemistry, atmospheric chemistry, the geosphere and hazardous wastes, toxicological chemistry, and resources and energy. Specific topics discussed in the book include a general introduction to environment chemistry, basic principles of aquatic chemistry, water pollution and water treatment, the essential role of microorganisms in aquatic chemical phenomena, atmospheric chemistry, a discussion of major threats to the global atmosphere (particularly greenhouse gases and ozone-depleting chemicals), the geosphere and hazardous substances, soil chemistry, and the nature and sources of hazardous wastes. The environmental chemistry of hazardous wastes, their treatment, minimization, and recycling, and the effects of these hazardous substances in also presented.

  17. Solutions for Hot Situations

    NASA Technical Reports Server (NTRS)

    2003-01-01

    From the company that brought the world an integral heating and cooling food service system after originally developing it for NASA's Apollo Program, comes yet another orbital offshoot: a product that can be as thin as paper and as strong as steel. Nextel Ceramic Textiles and Composites from 3M Company offer space-age protection and innovative solutions for hot situations, ranging from NASA to NASCAR. With superior thermal protection, Nextel fabrics, tape, and sleevings outperform other high temperature textiles such as aramids, carbon, glass, and quartz, permitting engineers and manufacturers to handle applications up to 2,500 F (1,371 C). The stiffness and strength of Nextel Continuous Ceramic Fibers make them a great match for improving the rigidity of aluminum in metal matrix composites. Moreover, the fibers demonstrate low shrinkage at operating temperatures, which allow for the manufacturing of a dimensionally stable product. These novel fibers also offer excellent chemical resistance, low thermal conductivity, thermal shock resistance, low porosity, and unique electrical properties.

  18. Saturn's Hot Spot

    NASA Technical Reports Server (NTRS)

    2005-01-01

    This is the sharpest image of Saturn's temperature emissions taken from the ground; it is a mosaic of 35 individual exposures made at the W.M. Keck I Observatory, Mauna Kea, Hawaii on Feb. 4, 2004.

    The images to create this mosaic were taken with infrared radiation. The mosaic was taken at a wavelength near 17.65 microns and is sensitive to temperatures in Saturn's upper troposphere. The prominent hot spot at the bottom of the image is right at Saturn's south pole. The warming of the southern hemisphere was expected, as Saturn was just past southern summer solstice, but the abrupt changes in temperature with latitude were not expected. The tropospheric temperature increases toward the pole abruptly near 70 degrees latitude from 88 to 89 Kelvin (-301 to -299 degrees Fahrenheit) and then to 91 Kelvin (-296 degrees Fahrenheit) right at the pole.

    Ring particles are not at a uniform temperature everywhere in their orbit around Saturn. The ring particles are orbiting clockwise in this image. Particles are coldest just after having cooled down in Saturn's shadow (lower left). As they orbit Saturn, the particles increase in temperature up to a maximum (lower right) just before passing behind Saturn again in shadow.

    A small section of the ring image is missing because of incomplete mosaic coverage during the observing sequence.

  19. Neptune's 'Hot' South Pole

    NASA Technical Reports Server (NTRS)

    2007-01-01

    These thermal images show a 'hot' south pole on the planet Neptune. These warmer temperatures provide an avenue for methane to escape out of the deep atmosphere.

    The images were obtained with the Very Large Telescope in Chile, using an imager/spectrometer for mid-infrared wavelengths on Sept. 1 and 2, 2006. The telescope is operated by the European Organization for Astronomical Research in the Southern Hemisphere (known as ESO).

    Scientists say Neptune's south pole is 'hotter' than anywhere else on the planet by about 10 degrees Celsius (50 degrees Fahrenheit). The average temperature on Neptune is about minus 200 degrees Celsius (minus 392 degrees Fahrenheit).

    The upper left image samples temperatures near the top of Neptune's troposphere (near 100 millibar pressure, which is one-tenth the Earth atmospheric pressure at sea level). The hottest temperatures are indicated at the lower part of the image, at Neptune's south pole (see the graphic at the upper right). The lower two images, taken 6.3 hours apart, sample temperatures at higher altitudes in Neptune's stratosphere. They do show generally warmer temperatures near, but not at, the south pole. They also show a distinct warm area which can be seen in the lower left image and rotated completely around the back of the planet and returned to the earth-facing hemisphere in the lower right image.

  20. Hot Hydrogen Test Facility

    SciTech Connect

    W. David Swank

    2007-02-01

    The core in a nuclear thermal rocket will operate at high temperatures and in hydrogen. One of the important parameters in evaluating the performance of a nuclear thermal rocket is specific impulse, ISp. This quantity is proportional to the square root of the propellant’s absolute temperature and inversely proportional to square root of its molecular weight. Therefore, high temperature hydrogen is a favored propellant of nuclear thermal rocket designers. Previous work has shown that one of the life-limiting phenomena for thermal rocket nuclear cores is mass loss of fuel to flowing hydrogen at high temperatures. The hot hydrogen test facility located at the Idaho National Lab (INL) is designed to test suitability of different core materials in 2500°C hydrogen flowing at 1500 liters per minute. The facility is intended to test non-uranium containing materials and therefore is particularly suited for testing potential cladding and coating materials. In this first installment the facility is described. Automated Data acquisition, flow and temperature control, vessel compatibility with various core geometries and overall capabilities are discussed.