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Sample records for hot atom chemistry

  1. Hot atom chemistry and radiopharmaceuticals

    SciTech Connect

    Krohn, Kenneth A.; Moerlein, Stephen M.; Link, Jeanne M.; Welch, Michael J.

    2012-12-19

    The chemical products made in a cyclotron target are a combined result of the chemical effects of the nuclear transformation that made the radioactive atom and the bulk radiolysis in the target. This review uses some well-known examples to understand how hot atom chemistry explains the primary products from a nuclear reaction and then how radiation chemistry is exploited to set up the optimal product for radiosynthesis. It also addresses the chemical effects of nuclear decay. There are important principles that are common to hot atom chemistry and radiopharmaceutical chemistry. Both emphasize short-lived radionuclides and manipulation of high specific activity nuclides. Furthermore, they both rely on radiochromatographic separation for identification of no-carrieradded products.

  2. Hot atoms in cosmic chemistry.

    PubMed

    Rossler, K; Jung, H J; Nebeling, B

    1984-01-01

    High energy chemical reactions and atom molecule interactions might be important for cosmic chemistry with respect to the accelerated species in solar wind, cosmic rays, colliding gas and dust clouds and secondary knock-on particles in solids. "Hot" atoms with energies ranging from a few eV to some MeV can be generated via nuclear reactions and consequent recoil processes. The chemical fate of the radioactive atoms can be followed by radiochemical methods (radio GC or HPLC). Hot atom chemistry may serve for laboratory simulation of the reactions of energetic species with gaseous or solid interstellar matter. Due to the effective measurement of 10(8)-10(10) atoms only it covers a low to medium dose regime and may add to the studies of ion implantation which due to the optical methods applied are necessarily in the high dose regime. Experimental results are given for the systems: C/H2O (gas), C/H2O (solid, 77 K), N/CH4 (solid, 77K) and C/NH3 (solid, 77 K). Nuclear reactions used for the generation of 2 to 3 MeV atoms are: N(p,alpha) 11C, 16O(p,alpha pn) 11C and 12C(d,n) 13N with 8 to 45 MeV protons or deuterons from a cyclotron. Typical reactions products are: CO, CO2, CH4, CH2O, CH3OH, HCOOH, NH3, CH3NH2, cyanamide, formamidine, guanidine etc. Products of hot reactions in solids are more complex than in corresponding gaseous systems, which underlines the importance of solid state reactions for the build-up of precursors for biomolecules in space. As one of the major mechanisms for product formation, the simultaneous or fast consecutive reactions of a hot carbon with two target molecules (reaction complex) is discussed.

  3. Atom Tunneling in Chemistry.

    PubMed

    Meisner, Jan; Kästner, Johannes

    2016-04-25

    Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom tunneling can be indirectly detected by temperature-independent rate constants at low temperature or by enhanced kinetic isotope effects. In contrast, the influence of tunneling on the reaction rates can be monitored directly through computational investigations. The tunnel effect, for example, changes reaction paths and branching ratios, enables chemical reactions in an astrochemical environment that would be impossible by thermal transition, and influences biochemical processes. PMID:26990917

  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. 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.

  6. 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.

  7. Hot-electron-mediated surface chemistry: toward electronic control of catalytic activity.

    PubMed

    Park, Jeong Young; Kim, Sun Mi; Lee, Hyosun; Nedrygailov, Ievgen I

    2015-08-18

    Energy dissipation at surfaces and interfaces is mediated by excitation of elementary processes, including phonons and electronic excitation, once external energy is deposited to the surface during exothermic chemical processes. Nonadiabatic electronic excitation in exothermic catalytic reactions results in the flow of energetic electrons with an energy of 1-3 eV when chemical energy is converted to electron flow on a short (femtosecond) time scale before atomic vibration adiabatically dissipates the energy (in picoseconds). These energetic electrons that are not in thermal equilibrium with the metal atoms are called "hot electrons". The detection of hot electron flow under atomic or molecular processes and understanding its role in chemical reactions have been major topics in surface chemistry. Recent studies have demonstrated electronic excitation produced during atomic or molecular processes on surfaces, and the influence of hot electrons on atomic and molecular processes. We outline research efforts aimed at identification of the intrinsic relation between the flow of hot electrons and catalytic reactions. We show various strategies for detection and use of hot electrons generated by the energy dissipation processes in surface chemical reactions and photon absorption. A Schottky barrier localized at the metal-oxide interface of either catalytic nanodiodes or hybrid nanocatalysts allows hot electrons to irreversibly transport through the interface. We show that the chemicurrent, composed of hot electrons excited by the surface reaction of CO oxidation or hydrogen oxidation, correlates well with the turnover rate measured separately by gas chromatography. Furthermore, we show that hot electron flows generated on a gold thin film by photon absorption (or internal photoemission) can be amplified by localized surface plasmon resonance. The influence of hot charge carriers on the chemistry at the metal-oxide interface are discussed for the cases of Au, Ag, and Pt

  8. Hot-electron-mediated surface chemistry: toward electronic control of catalytic activity.

    PubMed

    Park, Jeong Young; Kim, Sun Mi; Lee, Hyosun; Nedrygailov, Ievgen I

    2015-08-18

    Energy dissipation at surfaces and interfaces is mediated by excitation of elementary processes, including phonons and electronic excitation, once external energy is deposited to the surface during exothermic chemical processes. Nonadiabatic electronic excitation in exothermic catalytic reactions results in the flow of energetic electrons with an energy of 1-3 eV when chemical energy is converted to electron flow on a short (femtosecond) time scale before atomic vibration adiabatically dissipates the energy (in picoseconds). These energetic electrons that are not in thermal equilibrium with the metal atoms are called "hot electrons". The detection of hot electron flow under atomic or molecular processes and understanding its role in chemical reactions have been major topics in surface chemistry. Recent studies have demonstrated electronic excitation produced during atomic or molecular processes on surfaces, and the influence of hot electrons on atomic and molecular processes. We outline research efforts aimed at identification of the intrinsic relation between the flow of hot electrons and catalytic reactions. We show various strategies for detection and use of hot electrons generated by the energy dissipation processes in surface chemical reactions and photon absorption. A Schottky barrier localized at the metal-oxide interface of either catalytic nanodiodes or hybrid nanocatalysts allows hot electrons to irreversibly transport through the interface. We show that the chemicurrent, composed of hot electrons excited by the surface reaction of CO oxidation or hydrogen oxidation, correlates well with the turnover rate measured separately by gas chromatography. Furthermore, we show that hot electron flows generated on a gold thin film by photon absorption (or internal photoemission) can be amplified by localized surface plasmon resonance. The influence of hot charge carriers on the chemistry at the metal-oxide interface are discussed for the cases of Au, Ag, and Pt

  9. 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.

  10. Liquid-metal atomization for hot working preforms

    NASA Technical Reports Server (NTRS)

    Grant, N. J.; Pelloux, R. M.

    1974-01-01

    Rapid quenching of a liquid metal by atomization or splat cooling overcomes the major limitation of most solidification processes, namely, the segregation of alloying elements, impurities, and constituent phases. The cooling rates of different atomizing processes are related to the dendrite arm spacings and to the microstructure of the atomized powders. The increased solubility limits and the formation of metastable compounds in splat-cooled alloys are discussed. Consolidation of the powders by hot isostatic compaction, hot extrusion, or hot forging and rolling processes yields billets with properties equivalent to or better than those of the wrought alloys. The application of this powder processing technology to high-performance alloys is reviewed.

  11. Bichromatic electromagnetically induced transparency in hot atomic vapors

    NASA Astrophysics Data System (ADS)

    Yan, Hui; Liao, Kai-Yu; Li, Jian-Feng; Du, Yan-Xiong; Zhang, Zhi-Ming; Zhu, Shi-Liang

    2013-05-01

    In a three-level Λ atomic system coupled by a symmetrical bichromatic laser field, a weak probe laser field shows multiple absorption peaks in the case of cold atoms. As for hot atomic vapors, we experimentally observe double symmetrical electromagnetically induced transparency windows instead of multiple absorption peaks. This abnormal spectrum is due to the Doppler averaging. The electromagnetically induced transparency windows observed here are useful for obtaining slow photons at different frequencies.

  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

    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

  14. 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

  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

    NASA Technical Reports Server (NTRS)

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

    1986-01-01

    Photolysis experiments were performed on the H2-CD4-NH3 and He-CD4-NH3 systems. The photolysis (1849 A) 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 resulted 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. Exotic Chemistry with Ultracold Rydberg Atoms.

    PubMed

    Saßmannshausen, Heiner; Deiglmayr, Johannes; Merkt, Frédéric

    2016-01-01

    We review recent experiments carried out with dense (10(12) cm(-3)) ultracold (T = 40 μK) samples of Cs atoms which have the goal to characterize, by high-resolution spectroscopy, the interactions between Cs atoms, Cs(+) ions and electrons that lead to the formation of metastable long-range molecules. The types of molecules observed in these experiments and the mechanisms leading to the aggregation of atoms in weakly bound molecules are very different from those encountered in warmer samples. In particular, we present results on molecules with binding energies of less than 0.05 J/mol and discuss their properties in the context of a new category of molecular states arising from slow-electron-atom scattering and their relation to atomic and molecular Rydberg states. One of the astonishing aspects of these types of molecules is that they can still be treated in good approximation in the realm of the Born-Oppenheimer approximation despite a huge electronic-state density. Non-Born-Oppenheimer effects are revealed by the decay of the molecules into neutral and charged fragments.

  18. 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.

  19. 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.

  20. Beyond organic chemistry: aromaticity in atomic clusters.

    PubMed

    Boldyrev, Alexander I; Wang, Lai-Sheng

    2016-04-28

    We describe joint experimental and theoretical studies carried out collaboratively in the authors' labs for understanding the structures and chemical bonding of novel atomic clusters, which exhibit aromaticity. The concept of aromaticity was first discovered to be useful in understanding the square-planar unit of Al4 in a series of MAl4(-) bimetallic clusters that led to discoveries of aromaticity in many metal cluster systems, including transition metals and similar cluster motifs in solid compounds. The concept of aromaticity has been found to be particularly powerful in understanding the stability and bonding in planar boron clusters, many of which have been shown to be analogous to polycyclic aromatic hydrocarbons in their π bonding. Stimulated by the multiple aromaticity in planar boron clusters, a design principle has been proposed for stable metal-cerntered aromatic molecular wheels of the general formula, M@Bn(k-). A series of such borometallic aromatic wheel complexes have been produced in supersonic cluster beams and characterized experimentally and theoretically, including Ta@B10(-) and Nb@B10(-), which exhibit the highest coordination number in two dimensions.

  1. 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.

  2. 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.

  3. 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.

  4. Effects of surface chemistry on hot corrosion life

    NASA Technical Reports Server (NTRS)

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

    1985-01-01

    This program has its primary objective: the development of hot corrosion life prediction methodology based on a combination of laboratory test data and evaluation of field service turbine components which show evidence of hot corrosion. The laboratory program comprises burner rig testing by TRW. A summary of results is given for two series of burner rig tests. The life prediction methodology parameters to be appraised in a final campaign of burner rig tests are outlined.

  5. 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.

  6. 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…

  7. Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry.

    PubMed

    Kumar, Manoj; Sinha, Amitabha; Francisco, Joseph S

    2016-05-17

    Hydrogen atom transfer (HAT) reactions are ubiquitous and play a crucial role in chemistries occurring in the atmosphere, biology, and industry. In the atmosphere, the most common and traditional HAT reaction is that associated with the OH radical abstracting a hydrogen atom from the plethora of organic molecules in the troposphere via R-H + OH → R + H2O. This reaction motif involves a single hydrogen transfer. More recently, in the literature, there is an emerging framework for a new class of HAT reactions that involves double hydrogen transfers. These reactions are broadly classified into four categories: (i) addition, (ii) elimination, (iii) substitution, and (iv) rearrangement. Hydration and dehydration are classic examples of addition and elimination reactions, respectively whereas tautomerization or isomerization belongs to a class of rearrangement reactions. Atmospheric acids and water typically mediate these reactions. Organic and inorganic acids are present in appreciable levels in the atmosphere and are capable of facilitating two-point hydrogen bonding interactions with oxygenates possessing an hydroxyl and/or carbonyl-type functionality. As a result, acids influence the reactivity of oxygenates and, thus, the energetics and kinetics of their HAT-based chemistries. The steric and electronic effects of acids play an important role in determining the efficacy of acid catalysis. Acids that reduce the steric strain of 1:1 substrate···acid complex are generally better catalysts. Among a family of monocarboxylic acids, the electronic effects become important; barrier to the catalyzed reaction correlates strongly with the pKa of the acid. Under acid catalysis, the hydration of carbonyl compounds leads to the barrierless formation of diols, which can serve as seed particles for atmospheric aerosol growth. The hydration of sulfur trioxide, which is the principle mechanism for atmospheric sulfuric acid formation, also becomes barrierless under acid catalysis

  8. Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry.

    PubMed

    Kumar, Manoj; Sinha, Amitabha; Francisco, Joseph S

    2016-05-17

    Hydrogen atom transfer (HAT) reactions are ubiquitous and play a crucial role in chemistries occurring in the atmosphere, biology, and industry. In the atmosphere, the most common and traditional HAT reaction is that associated with the OH radical abstracting a hydrogen atom from the plethora of organic molecules in the troposphere via R-H + OH → R + H2O. This reaction motif involves a single hydrogen transfer. More recently, in the literature, there is an emerging framework for a new class of HAT reactions that involves double hydrogen transfers. These reactions are broadly classified into four categories: (i) addition, (ii) elimination, (iii) substitution, and (iv) rearrangement. Hydration and dehydration are classic examples of addition and elimination reactions, respectively whereas tautomerization or isomerization belongs to a class of rearrangement reactions. Atmospheric acids and water typically mediate these reactions. Organic and inorganic acids are present in appreciable levels in the atmosphere and are capable of facilitating two-point hydrogen bonding interactions with oxygenates possessing an hydroxyl and/or carbonyl-type functionality. As a result, acids influence the reactivity of oxygenates and, thus, the energetics and kinetics of their HAT-based chemistries. The steric and electronic effects of acids play an important role in determining the efficacy of acid catalysis. Acids that reduce the steric strain of 1:1 substrate···acid complex are generally better catalysts. Among a family of monocarboxylic acids, the electronic effects become important; barrier to the catalyzed reaction correlates strongly with the pKa of the acid. Under acid catalysis, the hydration of carbonyl compounds leads to the barrierless formation of diols, which can serve as seed particles for atmospheric aerosol growth. The hydration of sulfur trioxide, which is the principle mechanism for atmospheric sulfuric acid formation, also becomes barrierless under acid catalysis

  9. 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.

  10. 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.

  11. Applications of Atomic Force Microscopy in Biophysical Chemistry of Cells

    PubMed Central

    Deng, Zhao; Lulevich, Valentin; Liu, Fu-tong; Liu, Gang-yu

    2014-01-01

    This article addresses the question of what information and new insights atomic force microscopy (AFM) provides that are of importance and relevance to cellular biophysical chemistry research. Three enabling aspects of AFM are discussed: (a) visualization of membrane structural features with nanometer resolution, such as microvilli, ridges, porosomes, lamellapodia, and filopodia; (b) revealing structural evolution associated with cellular signaling pathways by time-dependent and high-resolution imaging of the cellular membrane in correlation with intracellular components from simultaneous optical microscopy; and (c) qualitative and quantitative measurements of single cell mechanics by acquisition of force-deformation profiles and extraction of Young’s moduli for the membrane as well as cytoskeleton. A future prospective of AFM is also presented. PMID:20405961

  12. 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.

  13. Coherent anti-Stokes Raman scattering (CARS) detection or hot atom reaction product internal energy distributions

    SciTech Connect

    Quick, C.R. Jr.; Moore, D.S.

    1983-01-01

    Coherent anti-Stokes Raman spectroscopy (CARS) is being utilized to investigate the rovibrational energy distributions produced by reactive and nonreactive collisions of translationally hot atoms with simple molecules. Translationally hot H atoms are produced by ArF laser photolysis of HBr. Using CARS we have monitored, in a state-specific and time-resolved manner, rotational excitation of HBr (v = 0), vibrational excitation of HBr and H/sub 2/, rovibrational excitation of H/sub 2/ produced by the reaction H + HBr ..-->.. H/sub 2/ + Br, and Br atom production by photolysis of HBr.

  14. Muon transfer from hot muonic hydrogen atoms to neon

    SciTech Connect

    Jacot-Guillarmod, R. . Inst. de Physique); Bailey, J.M. ); Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A. ); Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M. ); Huber, T.M. ); Kammel, P.; Zmeskal, J.

    1992-01-01

    A negative muon beam has been directed on adjacent solid layers of hydrogen and neon. Three targets differing by their deuterium concentration were investigated. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. The time structure of the muonic neon X-rays follows the exponential law with a disappearance rate corresponding to the one of [mu][sup [minus]p] atoms in each target. The rates [lambda][sub pp[mu

  15. 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.

  16. 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

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

    PubMed

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

    2015-09-21

    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.

  18. 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.…

  19. 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.

  20. Muon transfer from hot muonic hydrogen atoms to neon

    SciTech Connect

    Jacot-Guillarmod, R.; Bailey, J.M.; Beer, G.A.; Knowles, P.E.; Mason, G.R.; Olin, A.; Beveridge, J.L.; Marshall, G.M.; Brewer, J.H.; Forster, B.M.; Huber, T.M.; Kammel, P.; Zmeskal, J.; Kunselman, A.R.; Petitjean, C.

    1992-12-31

    A negative muon beam has been directed on adjacent solid layers of hydrogen and neon. Three targets differing by their deuterium concentration were investigated. Muonic hydrogen atoms can drift to the neon layer where the muon is immediately transferred. The time structure of the muonic neon X-rays follows the exponential law with a disappearance rate corresponding to the one of {mu}{sup {minus}p} atoms in each target. The rates {lambda}{sub pp{mu}} and {lambda}{sub pd} can be extracted.

  1. 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.

  2. 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.

  3. Electromagnetically induced photonic bandgap in hot Cs atoms

    SciTech Connect

    Li, D. W.; Zhang, L.; Su, X. M.; Zhuo, Z. C.; Kim, J. B

    2010-04-15

    Three-level {Lambda}-type thermal Cs atoms are used to demonstrate the phenomenon of a photonic bandgap induced by quantum coherence with a standing wave (SW). We observed the transmitted signals of probe field driven by several kinds of SW, which are formed by a strong forward-traveling field and a backward-traveling field when a mirror reflects the forward-traveling beam. Considering Doppler inhomogeneous broadenings with a SW drive, we employ Fourier transformation to solve density-matrix equations for simulation results. The simulation results are found to be consistent with the experimental results.

  4. 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…

  5. 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.

  6. Correlation between molecular recoil and molecular orientation in collisions of symmetric top molecules with hot hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Ni, C. K.; Flynn, G. W.

    1992-05-01

    Nascent Doppler profiles are measured for hot H-atom—molecule collisions in numerous rotational sublevels of two symmetric tops. Linewidths for CDF 3 molecules due to hot H-atom collisions increase with the quantum number K. In contrast, linewidths for CD 3F molecules due to hot H-atom collisions decrease with the quantum number K. A simple model is proposed to explain the K dependent linewidths.

  7. 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…

  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. Comparative Study on Hot Atom Coronae of Solar and Extrasolar Planets

    NASA Astrophysics Data System (ADS)

    Shematovich, Valery

    Solar/stellar forcing on the upper atmospheres of the solar and extrasolar planets via both absorption of the XUV (soft X-rays and extreme ultraviolet) radiation and atmospheric sputtering results in the formation of an extended neutral corona populated by the suprathermal (hot) H, C, N, and O atoms (see, e.g., Johnson et al., 2008). The hot corona, in turn, is altered by an inflow of the solar wind/magnetospheric plasma and local pick-up ions onto the planetary exosphere. Such inflow results in the formation of the superthermal atoms (energetic neutral atoms - ENAs) due to the charge exchange with the high-energy precipitating ions and can affect the long-term evolution of the atmosphere due to the atmospheric escape. The origin, kinetics and transport of the suprathermal H, C, N, and O atoms in the transition regions (from thermosphere to exosphere) of the planetary atmospheres are discussed. Reactions of dissociative recombination of the ionospheric ions CO _{2} (+) , CO (+) , O _{2} (+) , and N _{2} (+) with thermal electrons are the main photochemical sources of hot atoms. The dissociation of atmospheric molecules by the solar/stellar XUV radiation and accompanying photoelectron fluxes and the induced exothermic photochemistry are also the important sources of the suprathermal atoms. Such kinetic systems with the non-thermal processes are usually investigated with the different (test particles, DSMC, and hybrid) versions of the kinetic Monte Carlo method. In our studies the kinetic energy distribution functions of suprathermal and superthermal atoms were calculated using the stochastic model of the hot planetary corona (Shematovich, 2004, 2010; Groeller et al., 2014), and the Monte Carlo model (Shematovich et al., 2011, 2013) of the high-energy proton and hydrogen atom precipitation into the atmosphere respectively. These functions allowed us to estimate the space distribution of suprathermals in the planetary transition regions. An application of these

  10. Scattering of cold-atom coherences by hot atoms: frequency shifts from background-gas collisions.

    PubMed

    Gibble, Kurt

    2013-05-01

    Frequency shifts from background-gas collisions currently contribute significantly to the inaccuracy of atomic clocks. Because nearly all collisions with room-temperature background gases that transfer momentum eject the cold atoms from the clock, the interference between the scattered and unscattered waves in the forward direction dominates these frequency shifts. We show they are ≈ 10 times smaller than in room-temperature clocks and that van der Waals interactions produce the cold-atom background-gas shift. General considerations allow the loss of the Ramsey fringe amplitude to bound this frequency shift. PMID:23683186

  11. 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)

  12. 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

  13. Ultra fast cooling of hot steel plate by air atomized spray with salt solution

    NASA Astrophysics Data System (ADS)

    Mohapatra, Soumya S.; Ravikumar, Satya V.; Jha, Jay M.; Singh, Akhilendra K.; Bhattacharya, Chandrima; Pal, Surjya K.; Chakraborty, Sudipto

    2014-05-01

    In the present study, the applicability of air atomized spray with the salt added water has been studied for ultra fast cooling (UFC) of a 6 mm thick AISI-304 hot steel plate. The investigation includes the effect of salt (NaCl and MgSO4) concentration and spray mass flux on the cooling rate. The initial temperature of the steel plate before the commencement of cooling is kept at 900 °C or above, which is usually observed as the "finish rolling temperature" in the hot strip mill of a steel plant. The heat transfer analysis shows that air atomized spray with the MgSO4 salt produces 1.5 times higher cooling rate than atomized spray with the pure water, whereas air atomized spray with NaCl produces only 1.2 times higher cooling rate. In transition boiling regime, the salt deposition occurs which causes enhancement in heat transfer rate by conduction. Moreover, surface tension is the governing parameter behind the vapour film instability and this length scale increases with increase in surface tension of coolant. Overall, the achieved cooling rates produced by both types of salt added air atomized spray are found to be in the UFC regime.

  14. 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.

  15. 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

  16. 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.

  17. Phase equilibria constraints on the chemistry of hot spring fluids at mid-ocean ridges

    SciTech Connect

    Seyfried, W.E. Jr.; Ding, K.; Berndt, M.E. )

    1991-12-01

    Recent advances in experimental and theoretical geochemistry have made it possible to assess both homogeneous and heterogeneous equilibria involving a wide range of aqueous species at temperatures and pressures appropriate to model hydrothermal alteration processes at mid-ocean ridges. The authors have combined selected aspects of the chemistry of hot spring fluids with constraints imposed by a geologically reasonable assemblage of minerals in the system Na{sub 2}O-K{sub 2}O-CaO-MgO-FeO-Fe{sub 2}O{sub 3}-Al{sub 2}O{sub 3}-SiO{sub 2}-H{sub 2}O-HCl-H{sub 2}S to assess the effect of temperature on the composition of the aqueous phase and the activities of mineral components in plagioclase and epidote solid solutions. Assuming fO{sub 2(g)} and fS{sub 2(g)} controlled by pyrite-pyrrhotite-magnetite equilibria, a constant dissolved Ca concentration, and a dissolved Cl concentration equivalent to that of seawater, increasing temperature from 250 to 400C at 500 bars results in systematic changes in the composition of mineral phases, which in turn constrain pH and the distribution of aqueous species. The model predicts that dissolved concentrations of Fe, SiO{sub 2}, K, H{sub 2}S, and H{sub 2} increase, while Na and pH{sub (25C)} decrease with increasing temperature. That many hot springs vent fluids are characterized by variable degrees of conductive heat loss renders measured temperatures unreliable as indicators of the maximum temperature of subseafloor hydrothermal alteration processes. The implications of this are significant for hot spring fluids which reveal large Cl variations relative to seawater, since likely mechanisms to account for such variability typically require temperatures in excess of those inferred for subseafloor reaction zones by simply correcting measured temperatures for the effects of adiabatic cooling.

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

    SciTech Connect

    Hays, J.A.

    1993-11-05

    Preparation, characterization, and reactivity of ({eta}{sup 2}- alkyne)(meso-tetratolylpoprphrinato)titanium(II) complexes are described, along with inetermetal oxygen atom transfer reactions involving Ti(IV) and Ti(III) porphyrin complexes. The {eta}{sup 2}- alkyne complexes are prepared by reaction of (TTP)TiCl{sub 2} with LiAlH{sub 4} in presence of alkyne. Structure of (OEP)Ti({eta}{sup 2}-Ph-C{triple_bond}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){sub 2} was also determined by XRD. Reaction of (TTP)Ti{double_bond}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)TiCl{sub 2} is reacted with (OEP)Ti{double_bond}O.

  19. Alcohol chemistry in the Galactic Center molecular clouds. A gigantic Hot Core

    NASA Astrophysics Data System (ADS)

    Requena Torres, M. A.; Martín-Pintado, J.; Rodríguez-Franco, A.; Martín, S.; Rodríguez-FerńNdez, N. J.

    We have carried out a systematic study of CH3OH, C2H5OH, (CH3)2O, HCOOCH3, HCOOH, CH3COOH, H2CO and CS in different Galactic Center (GC) molecular clouds. Figure 1 shows the relative abundances of those molecules with respect to CH3OH in the GC as function of the CH3OH abundance. The CH3OH abundance between sources in the GC varies in nearly two orders of magnitude. The abundance ratio of these molecules relative to CH3OH is basically independent of the CH3OH abundances and only varies in a factor of ~ 4 - 8. The abundance ratio of CS relative to CH3OH seem to vary by a factor of 60. Our data are compared with observations of the same molecules in short-lived objects like the hot cores. The abundance and the abundance ratios of the complex molecules relative to CH3OH in massive hot cores are similar to that found in the GC clouds. Alcohol related chemistry is believed to be driven by gas phase reactions after evaporation of alcohols from grain mantles. Gas phase chemistry based in the ejection of alcohols from grains (see Charnley et al. 1995; Horn et al. (2004)) can not explain the observed abundances of HCOOCH3 in the GC and the rather constant relative abundances of the other complex molecules. Our data suggest that basically all the molecules related to alcohol chemistry could be produced on grain mantles and/or depleted from gas phase after their formation. This interpretation requires frequent shocks in the GC region to keep the high abundances of these molecules in gas phase and a rather uniform average composition of the icy grain mantles. The molecular clouds associated with the Sickle and the Thermal Radio Arches (TRA), which seem to be affected by UV radiation, see Rodriguez-Fernandez et al. (2001), show lower abundances of C2H5OH relative to CH3OH which could be explained by shock ejection and photo dissociation conditions.

  20. 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…

  1. Ultrafast Surface-Enhanced Raman Probing of the Role of Hot Electrons in Plasmon-Driven Chemistry.

    PubMed

    Brandt, Nathaniel C; Keller, Emily L; Frontiera, Renee R

    2016-08-18

    Hot electrons generated through plasmonic excitations in metal nanostructures show great promise for efficiently driving chemical reactions with light. However, the lifetime, yield, and mechanism of action of plasmon-generated hot electrons involved in a given photocatalytic process are not well understood. Here, we develop ultrafast surface-enhanced Raman scattering (SERS) as a direct probe of plasmon-molecule interactions in the plasmon-catalyzed dimerization of 4-nitrobenzenethiol to p,p'-dimercaptoazobenzene. Ultrafast SERS probing of these molecular reporters in plasmonic hot spots reveals transient Fano resonances, which we attribute to near-field coupling of Stokes-shifted photons to hot electron-driven metal photoluminescence. Surprisingly, we find that hot spots that yield more photoluminescence are much more likely to drive the reaction, which indirectly proves that plasmon-generated hot electrons induce the photochemistry. These ultrafast SERS results provide insight into the relative reactivity of different plasmonic hot spot environments and quantify the ultrafast lifetime of hot electrons involved in plasmon-driven chemistry. PMID:27488515

  2. Ultrafast Surface-Enhanced Raman Probing of the Role of Hot Electrons in Plasmon-Driven Chemistry.

    PubMed

    Brandt, Nathaniel C; Keller, Emily L; Frontiera, Renee R

    2016-08-18

    Hot electrons generated through plasmonic excitations in metal nanostructures show great promise for efficiently driving chemical reactions with light. However, the lifetime, yield, and mechanism of action of plasmon-generated hot electrons involved in a given photocatalytic process are not well understood. Here, we develop ultrafast surface-enhanced Raman scattering (SERS) as a direct probe of plasmon-molecule interactions in the plasmon-catalyzed dimerization of 4-nitrobenzenethiol to p,p'-dimercaptoazobenzene. Ultrafast SERS probing of these molecular reporters in plasmonic hot spots reveals transient Fano resonances, which we attribute to near-field coupling of Stokes-shifted photons to hot electron-driven metal photoluminescence. Surprisingly, we find that hot spots that yield more photoluminescence are much more likely to drive the reaction, which indirectly proves that plasmon-generated hot electrons induce the photochemistry. These ultrafast SERS results provide insight into the relative reactivity of different plasmonic hot spot environments and quantify the ultrafast lifetime of hot electrons involved in plasmon-driven chemistry.

  3. 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.

  4. 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.

  5. Global Dynamics of Hot Atomic Oxygen in Mars' Upper Atmosphere and Comparison with Recent Observation

    NASA Astrophysics Data System (ADS)

    Lee, Y.; Combi, M. R.; Tenishev, V.; Bougher, S. W.

    2012-12-01

    The production of energetic particles in Mars's upper thermosphere and exosphere results in the formation of hot atom coronae. Dissociative recombination (DR) of O2+ ion is the dominant source of the production of hot atomic oxygen and the most important reaction for the exosphere on Mars, which occurs mostly deep in the dayside thermosphere of Mars. In this investigation, we have carried out the study of the global dynamics of energetic particles in Mars' upper atmosphere using our newly developed self-consistent Monte-Carlo model. The calculated total global escapes of hot oxygen are presented for different solar activities (solar maximum and minimum) and Martian seasons (aphelion, equinox, and perihelion). To describe self-consistently the exosphere and the upper thermosphere, a combination of our 3D Direct Simulation Monte Carlo (DSMC) model [Valeille, A., Combi, M., Bougher, S., Tenishev, V., Nagy, A., 2009. J. Geophys. Res. 114, E11006. doi:10.1029/2009JE003389] and the 3D Mars Thermosphere General Circulation Model (MTGCM) [Bougher, S.W., Bell, J.M., Murphy, J.R., Lopez-Valverde, M.A., Withers, P.G., 2006. Geophys. Res. Lett. 32, doi: 10.1029/2005GL024059. L02203] is used. Profiles of density and temperature, atmospheric loss rates, and return fluxes are studied using the model for the cases considered. Progress in updating the model physics is also described. Along with comparisons of our DSMC model outputs with those from other recent exosphere model studies, we present a comparison of our model results with the derived neutral oxygen density from atomic oxygen emission at 1304Å that was detected by Alice instrument on board European Space Agency's Rosetta spacecraft [Feldman, P., Steffl, A., Parker, J, A'Hearn, M., Bertaux, J., Stern, S., Weaver, H., Slater, D., Versteeg, M., Throop, H., Cunningham, N., Feaga, L., 2011. Icarus. 214, 2, 394-399, doi:10.1016/j.icarus.2011.06.013].

  6. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2011-12-01

    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.

  8. 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.

  9. RAPID COMMUNICATION: High silicon etch rates by hot filament generated atomic hydrogen

    NASA Astrophysics Data System (ADS)

    Wanka, H. N.; Schubert, M. B.

    1997-04-01

    The etching of hydrogenated amorphous silicon (a-Si:H) and microcrystalline silicon by hot tungsten filament generated atomic hydrogen has been investigated. Room-temperature etch rates of 27 Å 0022-3727/30/8/002/img1 for amorphous and 20 Å 0022-3727/30/8/002/img1 for microcrystalline silicon have been achieved. Boron doping decreases the etch rate, whereas phosphorus doping does not affect it. No surface roughening occurs, even for the highest a-Si:H etch rates. In the initial phase of the etch process, however, a bond structure modification arises close to the surface. An increase of microcrystalline silicon etch rates towards the substrate/film interface reflects the coalescence of the microcrystalline nuclei. Hot filament atomic hydrogen etching provides high etch rates of amorphous and polycrystalline silicon with a high selectivity against metals and thermal oxide. Due to its simple setup and control, this kind of hydrogen etching is very interesting for applications in semiconductor technology where F- or Cl-etchants are to be avoided.

  10. 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.

  11. 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.

  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. 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.

  14. Introduction of the Scientific Method and Atomic Theory to Liberal Arts Chemistry Students

    NASA Astrophysics Data System (ADS)

    Hohman, James R.

    1998-12-01

    Liberal arts chemistry students often struggle with the application of the scientific method to problem solving in the sciences, in part because of insufficient concrete examples. These same students also tend to have significant difficulty in appreciating the value of weight ratios in chemistry, particularly in the establishment of the laws that led to the atomic theory. A simple classroom exercise utilizing net weights of envelopes containing varying numbers of BB's or paper clips can be used to illustrate and differentiate the steps of the scientific method: observation (with corrections) to get scientific facts, induction to arrive at laws, tentative explanation by hypothesis, experimentation to test the hypothesis, and final establishment of a scientific theory. Since the students participating in this exercise arrive at each of these steps on their own, there is greater appreciation and more effective internalization of the scientific method on their part. The exercise depends upon the discrete nature of the BB's or paper clips (i.e., on the fact that they are individual "particles" of similar properties, and so are useful analogies to atoms). Finally, since weight ratios are used to solve the problem posed by this exercise, it can be used to lead directly into the weight ratios summarized by the laws of constant composition (fixed proportions) and multiple proportions, which in turn lead to Dalton's atomic theory.

  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. 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

  18. 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.

  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. 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.

  1. 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.

  2. 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. PMID:23440215

  3. 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.

  4. 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.

  5. 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)

  6. 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

  7. 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.

  8. Quantitative chemistry and the discrete geometry of conformal atom-thin crystals.

    PubMed

    Pacheco Sanjuan, Alejandro A; Mehboudi, Mehrshad; Harriss, Edmund O; Terrones, Humberto; Barraza-Lopez, Salvador

    2014-02-25

    When flat or on a firm mechanical substrate, the atomic composition and atomistic structure of two-dimensional crystals dictate their chemical, electronic, optical, and mechanical properties. These properties change when the two-dimensional and ideal crystal structure evolves into arbitrary shapes, providing a direct and dramatic link among geometry and material properties due to the larger structural flexibility when compared to bulk three-dimensional materials. We describe methods to understand the local geometrical information of two-dimensional conformal crystals quantitatively and directly from atomic positions, even in the presence of atomistic defects. We then discuss direct relations among the discrete geometry and chemically relevant quantities--mean bond lengths, hybridization angles, and σ-π hybridization. These concepts are illustrated for carbon-based materials and ionic crystals. The pyramidalization angle turns out to be linearly proportional to the mean curvature for relevant crystalline configurations. Discrete geometry provides direct quantitative information on the potential chemistry of conformal two-dimensional crystals.

  9. The atmospheric chemistry of methyl salicylate—reactions with atomic chlorine and with ozone

    NASA Astrophysics Data System (ADS)

    Canosa-Mas, Carlos E.; Duffy, Justin M.; King, Martin D.; Thompson, Katherine C.; Wayne, Richard P.

    Methyl salicylate is one of a number of semiochemicals, signal molecules, emitted by herbivore-infested plants. These signal molecules attract predators of the herbivore, and the chemicals thus act indirectly as part of the defence mechanism of the plant. Previous studies have shown that ozone damage to plants can also elicit the emission of signal molecules. The fate of these signal molecules in the atmosphere is not known. Preliminary studies have been undertaken to examine the atmospheric chemistry of methyl salicylate for the first time. Rate coefficients for the reaction of methyl salicylate with atomic chlorine and with ozone have been determined; the values are (2.8±0.3)×10 -12 and ˜4×10 -21 cm 3 molecule -1 s -1. These results suggest that neither reaction with atomic chlorine nor reaction with ozone will provide important loss routes for methyl salicylate in the atmosphere. The possible importance of photolysis of methyl salicylate in the atmosphere is considered.

  10. 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.

  11. 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…

  12. 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…

  13. 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.

  14. The Atmospheric Circulation of a Nine-hot-Jupiter Sample: Probing Circulation and Chemistry over a Wide Phase Space

    NASA Astrophysics Data System (ADS)

    Kataria, Tiffany; Sing, David K.; Lewis, Nikole K.; Visscher, Channon; Showman, Adam P.; Fortney, Jonathan J.; Marley, Mark S.

    2016-04-01

    We present results from an atmospheric circulation study of nine hot Jupiters that compose a large transmission spectral survey using the Hubble and Spitzer Space Telescopes. These observations exhibit a range of spectral behavior over optical and infrared wavelengths, suggesting diverse cloud and haze properties in their atmospheres. By utilizing the specific system parameters for each planet, we naturally probe a wide phase space in planet radius, gravity, orbital period, and equilibrium temperature. First, we show that our model “grid” recovers trends shown in traditional parametric studies of hot Jupiters, particularly equatorial superrotation and increased day–night temperature contrast with increasing equilibrium temperature. We show how spatial temperature variations, particularly between the dayside and nightside and west and east terminators, can vary by hundreds of kelvin, which could imply large variations in Na, K, CO and {{{CH}}}4 abundances in those regions. These chemical variations can be large enough to be observed in transmission with high-resolution spectrographs, such as ESPRESSO on VLT, METIS on the E-ELT, or MIRI and NIRSpec aboard JWST. We also compare theoretical emission spectra generated from our models to available Spitzer eclipse depths for each planet and find that the outputs from our solar-metallicity, cloud-free models generally provide a good match to many of the data sets, even without additional model tuning. Although these models are cloud-free, we can use their results to understand the chemistry and dynamics that drive cloud formation in their atmospheres.

  15. 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.

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

    PubMed

    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. PMID:27276954

  17. 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.

  18. WATER CHEMISTRY AND MINERALOGY OF MORGAN AND GROWLER HOT SPRINGS, LASSEN KGRA, CALIFORNIA.

    USGS Publications Warehouse

    Thompson, J. Michael; Keith, Terry E.C.; Consul, Jerry J.

    1985-01-01

    Because these springs contain substantial amounts of dissolved chloride, halite and sylvite are found above the water level as evaporitic deposits, along with gypsum. One spring is depositing pyrite that contains significant amounts of arsenic, antimony, and thallium. A yellow compound, composed of arsenic and sulfur, is being deposited in another spring. Arsenic and antimony concentrations are high in the spring waters; the dissolved thallium concentration is not known. The dissolved arsenic appears to be a conservative species and follows chloride. Antimony appears to be independent of dissolved arsenic and to be linearly related to chloride and measured orifice temperature at Morgan Hot Springs.

  19. Ion-atom charge-transfer reactions and a hot intercloud medium. [in interstellar space

    NASA Technical Reports Server (NTRS)

    Steigman, G.

    1975-01-01

    An investigation is conducted concerning the ionization equilibrium of carbon in a hot intercloud medium (ICM), taking into account various charge-transfer reactions. Attention is given to problems related to observations of carbon along the lines of sight to several unreddened stars. It is pointed out that the observed underabundance of C III and overabundance of C I can be consistent with the presence of a hot, partially ionized ICM, provided that two of the charge-transfer reactions considered are rapid at thermal energies.

  20. Microelectrode studies of interstitial water chemistry and photosynthetic activity in a hot spring microbial mat

    SciTech Connect

    Revsbech, N.P.; Ward, D.M.

    1984-08-01

    Microelectrodes were used to measure oxygen, pH, and oxygenic photosynthetic activity in a hot spring microbial mat (Octopus Spring, Yellowstone National Park), where the cyanobacterium Synechoccus lividus and the filamentous bacteria Chloroflexus aurantiacus are the only known phototrophs. The data showed very high biological activities in the topmost layers of the microbial mat, resulting in extreme values for oxygen and pH. At a 1-mm depth at a 55 C site, oxygen and pH reached 900 micro M and 9.4, respectively, just after solar noon, whereas anoxic conditions with pH of 7.2 were measured before sunrise. Although diurnal changes between these extremes occurred over hours during a diurnal cycle microbial activity was great enough to give the same response in 1 to 2 mm after artificial shading. Oxygenic photosynthesis was confined to a 0.5- to 1.1-mm layer at sites with temperatures at or above about 50 C, with maximum activities in the 55 to 60 C region. The data suggest that S. lividus is the dominant primary producer of the mat. 30 references, 5 figures.

  1. 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.

  2. 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.

  3. Chemistry and Mineralogy of Rock Surface Coatings from Terrestrial Hot and Dry Deserts

    NASA Astrophysics Data System (ADS)

    Garvie, L. A.

    2001-12-01

    Coatings form on rocks in terrestrial hot and dry deserts that are chemically, mineralogically, and texturally distinct from the underlying rock. They are composed of mixtures of aeolian-derived particles, primarily clays, cemented by authigenic Mn-Fe-bearing materials. The coatings are characteristically laminated at the nanometer to micron scale, with Mn-Fe oxide-rich layers alternating with silicate-rich layers. The junction between the coating and the rock is generally sharp. The laminated coatings form on all rock types, even quartz, although its thickness is usually greatest on Fe-rich rocks. Manganese-rich coatings of 5 microns thickness or less impart a black color to the rock. High resolution TEM (HRTEM) images of the coatings show a predominance of thin clay-like flakes and aggregates of tissue-like particles, with lesser amounts of rounded crystalline grains. Most clay particles exhibit 001 spacings of 10, 12 Å, and intermediate spacings, typical of mica, smectite, and mixed-layer mica-smectite minerals. Many of the Mn-bearing particles have lattice spacings between 5.5 and 7 Å, visible at the edges of folded flakes. These spacings are consistent with a phyllomanganate-like structure, similar to birnessite. The lower values measured in the TEM are consistent with collapse of the layers in the vacuum of the TEM. Also present are occasional elongated Mn-rich particles with a ca. 10 Å spacing consistent with todorokite. Four distinct Mn-rich materials were recognized: (a) Discrete, elongated Ca-Ba-rich Mn-oxides. (b) Tissue-like aggregates with minor Fe and Ba. (c) Fluffy Mn-Fe-rich coatings on clays. (d) An anhedral Mn-Fe spinel-like mineral. Nanometer-sized C aggregates were occasionally encountered in the coatings. These particles contain variable, minor amounts of K, N, and O, as revealed by electron energy-loss spectroscopy (EELS). Their small sizes and the occurrence of K in some of the particles is consistent with C derived from biomass burning

  4. 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.

  5. In situ observation of thermomigration of Sn atoms to the hot end of 96.5Sn-3Ag-0.5Cu flip chip solder joints

    NASA Astrophysics Data System (ADS)

    Ouyang, Fan-Yi; Kao, C.-L.

    2011-12-01

    In this study, we investigated the phenomenon of thermomigration in 96.5Sn-3Ag-0.5Cu flip chip solder joints at an ambient temperature of 150 °C. We observed mass protrusion on the chip side (hot end), indicating that Sn atoms moved to the hot end, and void formation on the substrate side (cold end). The diffusion markers also moved to the substrate side, in the same direction of the vacancy flux, indicating that the latter played a dominant role during the thermomigration process. The molar heat of transport (Q*) of the Sn atoms was 3.38 kJ/mol.

  6. 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.

  7. 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. PMID:26281019

  8. Characterization of atomic-layer MoS2 synthesized using a hot filament chemical vapor deposition method

    NASA Astrophysics Data System (ADS)

    Ying-Zi, Peng; Yang, Song; Xiao-Qiang, Xie; Yuan, Li; Zheng-Hong, Qian; Ru, Bai

    2016-05-01

    Atomic-layer MoS2 ultrathin films are synthesized using a hot filament chemical vapor deposition method. A combination of atomic force microscopy (AFM), x-ray diffraction (XRD), high-resolution transition electron microscopy (HRTEM), photoluminescence (PL), and x-ray photoelectron spectroscopy (XPS) characterization methods is applied to investigate the crystal structures, valence states, and compositions of the ultrathin film areas. The nucleation particles show irregular morphology, while for a larger size somewhere, the films are granular and the grains have a triangle shape. The films grow in a preferred orientation (002). The HRTEM images present the graphene-like structure of stacked layers with low density of stacking fault, and the interlayer distance of plane is measured to be about 0.63 nm. It shows a clear quasi-honeycomb-like structure and 6-fold coordination symmetry. Room-temperature PL spectra for the atomic layer MoS2 under the condition of right and left circular light show that for both cases, the A1 and B1 direct excitonic transitions can be observed. In the meantime, valley polarization resolved PL spectra are obtained. XPS measurements provide high-purity samples aside from some contaminations from the air, and confirm the presence of pure MoS2. The stoichiometric mole ratio of S/Mo is about 2.0–2.1, suggesting that sulfur is abundant rather than deficient in the atomic layer MoS2 under our experimental conditions. Project supported by the Natural Science Foundation of Zhejiang Province, China (Grant Nos. LY16F040003 and LY16A040007) and the National Natural Science Foundation of China (Grant Nos. 51401069 and 11574067).

  9. Translationally and rotationally resolved excitation of CO2(00 0 2) by collisions with hot hydrogen atoms

    NASA Astrophysics Data System (ADS)

    Khan, Farooq A.; Kreutz, Thomas G.; Flynn, George W.; Weston, Ralph E., Jr.

    1993-04-01

    Time domain tunable diode laser absorption spectroscopy has been used to measure rotationally resolved transient absorption line shapes and nascent rotational populations for CO2 molecules excited into the (00 0 2) vibrational state by collisions with translationally hot hydrogen atoms. The 00 0 2 rotational population distribution and rotationally resolved linewidths are remarkably similar to those previously obtained for 00 0 1. Within the context of a simple physical model used to interpret the data, the similar rotational distributions and translational recoils for 00 0 1 and 00 0 2 suggest that these two states are excited by similar collision trajectories, wherein asymmetric stretching excitation is optimized when H strikes near the end of the O-C-O molecule. The magnitude of population scattered into 00 0 2 is about 21 times smaller than that scattered into 00 0 1.

  10. Interaction of hot swirling air and liquid film flow in airblast atomizers

    NASA Astrophysics Data System (ADS)

    Baumann, Wolfgang W.; Bendisch, Holger; Eickhoff, Heinrich; Thiele, Frank

    The flowfield in an airblast atomizer of the prefilming type is studied numerically. Special attention is drawn to the flow near the liquid film surface, which is calculated using a boundary-layer method. Thereby near-wall effects (e.g., evaporation) are exactly accounted for. The main nozzle flow is calculated using the Navier-Stokes equations. Both systems are linked by the boundary conditions. The results for an airblast atomizer with adjacent combustion chamber show significant differences between coupled and uncoupled calculations. It is shown that the detailed modeling of the film and the coupled calculation, which accounts exactly for boundary-layer effects including evaporation, is essential for accurate simulations.

  11. GHz Rabi Flopping to Rydberg States in Hot Atomic Vapor Cells

    SciTech Connect

    Huber, B.; Baluktsian, T.; Schlagmueller, M.; Koelle, A.; Kuebler, H.; Loew, R.; Pfau, T.

    2011-12-09

    We report on the observation of Rabi oscillations to a Rydberg state on a time scale below 1 ns in thermal rubidium vapor. We use a bandwidth-limited pulsed excitation and observe up to 6 full Rabi cycles within a pulse duration of {approx}4 ns. We find good agreement between the experiment and numerical simulations based on a surprisingly simple model. This result shows that fully coherent dynamics with Rydberg states can be achieved even in thermal atomic vapor, thus suggesting small vapor cells as a platform for room-temperature quantum devices. Furthermore, the result implies that previous coherent dynamics in single-atom Rydberg gates can be accelerated by 3 orders of magnitude.

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

    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.

  13. 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

  14. 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

  15. The direct observation of secondary radical chain chemistry in the heterogeneous reaction of chlorine atoms with submicron squalane droplets.

    PubMed

    Liu, Chen-Lin; Smith, Jared D; Che, Dung L; Ahmed, Musahid; Leone, Stephen R; Wilson, Kevin R

    2011-05-21

    The reaction of Cl atoms, in the presence of Cl(2) and O(2), with sub-micron squalane particles is used as a model system to explore how surface hydrogen abstraction reactions initiate chain reactions that rapidly transform the chemical composition of an organic particle. The heterogeneous reaction is measured in a photochemical flow tube reactor in which chlorine atoms are produced by the photolysis of Cl(2) at 365 nm. By monitoring the heterogeneous reaction, using a vacuum ultraviolet photoionization aerosol mass spectrometer, the effective reactive uptake coefficient and the distributions of both oxygenated and chlorinated reaction products are measured and found to depend sensitively upon O(2), Cl(2), and Cl concentrations in the flow reactor. In the absence of O(2), the effective reactive uptake coefficient monotonically increases with Cl(2) concentration to a value of ∼3, clearly indicating the presence of secondary chain chemistry occurring in the condensed phase. The effective uptake coefficient decreases with increasing O(2) approaching a diffusion corrected value of 0.65 ± 0.07, when 20% of the total nitrogen flow rate in the reactor is replaced with O(2). Using a kinetic model it is found that the amount of secondary chemistry and the product distributions in the aerosol phase are controlled by the competitive reaction rates of O(2) and Cl(2) with alkyl radicals. The role that a heterogeneous pathway might play in the reaction of alkyl radicals with O(2) and Cl(2) is investigated within a reasonable range of reaction parameters. These results show, more generally, that for heterogeneous reactions involving secondary chain chemistry, time and radical concentration are not interchangeable kinetic quantities, but rather the observed reaction rate and product formation chemistry depends sensitively upon the concentrations and time evolution of radical initiators and those species that propagate or terminate free radical chain reactions.

  16. Hot atom reactions involving multivalent and univalent species. Progress report, February 1980-January 1981

    SciTech Connect

    Tang, Y.N.

    1981-01-01

    Major progress was made in the study of recoil /sup 31/Si reactions. The most significant discovery is that monomeric /sup 31/SiF/sub 2/ adds to two molecules of C/sub 2/H/sub 4/ to give 1,1-difluorosilacyclopentane as a final product. When radical scavengers were added, the yield of this product was not altered. When 1,3-butadiene was added to the above recoil /sup 31/Si system to compete with C/sub 2/H/sub 4/ for the available /sup 31/SiF/sub 2/, a nearly complementary relationship was found between 1,1-difluorosilacyclopent-3-ene-/sup 31/Si, the butadiene product, and 1,1-difluorosilacyclopentane-/sup 31/Si. Quantitatively, it was deduced that butadiene is about ten times more reactive than C/sub 2/H/sub 4/ for the trapping of /sup 31/SiF/sub 2/. When Ne was added as a moderator to the 5:1 C/sub 2/H/sub 4/:butadiene competition system, the two product ratio shifts from 1:2 in favor of butadiene to 10:1 in favor of C/sub 2/H/sub 4/. This indicates that it is the lower energy /sup 31/SiF/sub 2/ species which is captured by C/sub 2/H/sub 4/, while it is favorable for the more energetic /sup 31/SiF/sub 2/ to be captured by butadiene. In the systems reacting recoil /sup 31/Si atoms with C/sub 2/H/sub 4/ in the presence of PF/sub 3/, four unidentified products with yields less than that of 1,1-difluorosilacyclopentane were also observed. Two of them were also formed when either PH/sub 3/ or (CH/sub 3/)/sub 3/P were used as the /sup 31/Si precursor. This means that they are likely to be direct /sup 31/Si atom reaction products. When recoil /sup 31/Si atoms reacted with C/sub 2/H/sub 4/ in the presence of (CH/sub 3/)/sub 3/P, the main product was identified as /sup 31/SiH(CH/sub 3/)/sub 2/CH = CH/sub 2/. This might mean the formation of dimethylsilene, /sup 31/Si(CH/sub 3/)/sub 2/, and the addition of it to CH/sub 2/ = CH/sub 2/ to give the product. In addition, catalytic C-F hydrogenolysis of CH/sub 2/ = CHF, CH/sub 3/CH/sub 2/F, CHF = CHF, CH/sub 2/ = CF/sub 2/, CH

  17. 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)

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

    PubMed

    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

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

    NASA Astrophysics Data System (ADS)

    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

    2016-08-01

    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.

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

    PubMed

    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

    2016-08-19

    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.

  1. 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

  2. Atomic carbon emission from photodissociation of CO2. [planetary atmospheric chemistry

    NASA Technical Reports Server (NTRS)

    Wu, C. Y. R.; Phillips, E.; Lee, L. C.; Judge, D. L.

    1978-01-01

    Atomic carbon fluorescence, C I 1561, 1657, and 1931 A, has been observed from photodissociation of CO2, and the production cross sections have been measured. A line emission source provided the primary photons at wavelengths from threshold to 420 A. The present results suggest that the excited carbon atoms are produced by total dissociation of CO2 into three atoms. The cross sections for producing the O I 1304-A fluorescence through photodissociation of CO2 are found to be less than 0.01 Mb in the wavelength region from 420 to 835 A. The present data have implications with respect to photochemical processes in the atmospheres of Mars and Venus.

  3. Chemistry of Hot Spring Pool Waters in Calamba and Los Banos and Potential Effect on the Water Quality of Laguna De Bay

    NASA Astrophysics Data System (ADS)

    Balangue, M. I. R. D.; Pena, M. A. Z.; Siringan, F. P.; Jago-on, K. A. B.; Lloren, R. B.; Taniguchi, M.

    2014-12-01

    Since the Spanish Period (1600s), natural hot spring waters have been harnessed for balneological purposes in the municipalities of Calamba and Los Banos, Laguna, south of Metro Manila. There are at more than a hundred hot spring resorts in Brgy. Pansol, Calamba and Tadlac, Los Banos. These two areas are found at the northern flanks of Mt. Makiling facing Laguna de Bay. This study aims to provide some insights on the physical and chemical characteristics of hot spring resorts and the possible impact on the lake water quality resulting from the disposal of used water. Initial ocular survey of the resorts showed that temperature of the pool water ranges from ambient (>300C) to as high as 500C with an average pool size of 80m3. Water samples were collected from a natural hot spring and pumped well in Los Banos and another pumped well in Pansol to determine the chemistry. The field pH ranges from 6.65 to 6.87 (Pansol springs). Cation analysis revealed that the thermal waters belonged to the Na-K-Cl-HCO3 type with some trace amount of heavy metals. Methods for waste water disposal are either by direct discharge down the drain of the pool or by discharge in the public road canal. Both methods will dump the waste water directly into Laguna de Bay. Taking in consideration the large volume of waste water used especially during the peak season, the effect on the lake water quality would be significant. It is therefore imperative for the environmental authorities in Laguna to regulate and monitor the chemistry of discharges from the pool to protect both the lake water as well as groundwater quality.

  4. 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…

  5. 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.

  6. 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

    Executive Summary of Final Report for Award DE-FG02-88ER13937 Project Title: Atomic Scale Imaging of the Electronic Structure and Chemistry of Graphene and its Precursors on Metal Surfaces Applicant/Institution: Columbia University Principal Investigator: George W. Flynn Objectives: 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. Project Description: Our work treated specifically the surface chemistry aspects of carbon reactions by using proximal probe (atomic scale imaging) techniques to study model systems of graphene that have many features in common with soot forming reactions of importance in combustion flames. Scanning tunneling microscopy (STM) is the main probe technique that we used to study the interfacial structure and chemistry of graphene, mainly because of its ability to elucidate surface structure and dynamics with molecular or even atomic resolution. Scanning tunneling spectroscopy (STS), which measures the local density of quantum states over a single

  7. 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.

  8. 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)

  9. 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.

  10. Atomic scale structure and chemistry of interfaces by Z-contrast imaging and electron energy loss spectroscopy in the STEM

    SciTech Connect

    McGibbon, M.M.; Browning, N.D.; Chisholm, M.F.; Pennycook, S.J.

    1993-12-01

    The macroscopic properties of many materials are controlled by the structure and chemistry at the grain boundaries. A basic understanding of the structure-property relationship requires a technique which probes both composition and chemical bonding on an atomic scale. The high-resolution Z-contrast imaging technique in the scanning transmission electron microscope (STEM) forms an incoherent image in which changes in atomic structure and composition can be interpreted intuitively. This direct image allows the electron probe to be positioned over individual atomic columns for parallel detection electron energy loss spectroscopy (PEELS) at a spatial resolution approaching 0.22nm. The bonding information which can be obtained from the fine structure within the PEELS edges can then be used in conjunction with the Z-contrast images to determine the structure at the grain boundary. In this paper we present 3 examples of correlations between the structural, chemical and electronic properties at materials interfaces in metal-semiconductor systems, superconducting and ferroelectric materials.

  11. 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.

  12. 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

    2016-03-01

    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.

  13. Relativistic Quantum Chemistry of Heavy Ions and Hadronic Atomic Systems: Spectra and Energy Shifts

    SciTech Connect

    Glushkov, A. V.; Khetselius, O.; Gurnitskaya, E.; Loboda, A.; Sukharev, D.

    2009-03-09

    The levels energies and energy shifts are calculated for superheavy Li-like ions and some kaonic atoms on the basis of the gauge-invariant QED perturbation theory (PT) with an account of nuclear, exchange-correlation and radiative effects.

  14. 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”.

  15. Analysis of the Essential Nutrient Strontium in Marine Aquariums by Atomic Absorption Spectroscopy: An Undergraduate Analytical Chemistry Laboratory Exercise

    NASA Astrophysics Data System (ADS)

    Gilles de Pelichy, Laurent D.; Adam, Carl; Smith, Eugene T.

    1997-10-01

    An undergraduate atomic absorption spectroscopy (AAS) laboratory experiment is presented involving the analysis of the essential nutrient strontium in a real-life sample, sea water. The quantitative analysis of strontium in sea water is a problem well suited for an undergraduate analytical chemistry laboratory. Sea water contains numerous components which prevent the direct quantitative determination of strontium. Students learn first hand about the role of interferences in analytical measurements, and about the method of standard addition which is used to minimize these effects. This laboratory exercise also introduces undergraduate students to practical problems associated with AAS. We encourage students as a part of this experiment to collect and analyze marine water samples from local pet shops.

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

    NASA Astrophysics Data System (ADS)

    Marstell, Roderick J.; Strandwitz, Nicholas C.

    2015-11-01

    We report the differences in the passivation and electronic properties of aluminum oxide (Al2O3) 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 Qf Traditional = -8.1 × 1011 cm-2 and Qf NHALD = -3.6 × 1012 cm-2), and a larger degree of chemical passivation than NHALD films (density of interface trap states, Dit Traditional = 5.4 × 1011 eV-1 cm-2 and Dit NHALD = 2.9 × 1012 eV-1 cm-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 Dit 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 (τTraditional = 2.2 × 10-9 s and τNHALD = 1.7 × 10-7 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.

  17. 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.

  18. On the Chemistry of Hydrides of N Atoms and O+ Ions

    NASA Astrophysics Data System (ADS)

    Awad, Zainab; Viti, Serena; Williams, David A.

    2016-08-01

    Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low-density lines of sight toward G10.6-0.4 (W31C) cannot be accounted for by gas-phase chemical models. In this paper we investigate the role of surface reactions on dust grains in diffuse regions, and we find that formation of the hydrides by surface reactions on dust grains with efficiency comparable to that for H2 formation reconciles models with observations of nitrogen hydrides. However, similar surface reactions do not contribute significantly to the hydrides of O+ ions detected by Herschel/HIFI that are present along many sight lines in the Galaxy. The O+ hydrides can be accounted for by conventional gas-phase chemistry either in diffuse clouds of very low density with normal cosmic-ray fluxes or in somewhat denser diffuse clouds with high cosmic-ray fluxes. Hydride chemistry in dense dark clouds appears to be dominated by gas-phase ion-molecule reactions.

  19. On the Chemistry of Hydrides of N Atoms and O+ Ions

    NASA Astrophysics Data System (ADS)

    Awad, Zainab; Viti, Serena; Williams, David A.

    2016-08-01

    Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low-density lines of sight toward G10.6-0.4 (W31C) cannot be accounted for by gas-phase chemical models. In this paper we investigate the role of surface reactions on dust grains in diffuse regions, and we find that formation of the hydrides by surface reactions on dust grains with efficiency comparable to that for H2 formation reconciles models with observations of nitrogen hydrides. However, similar surface reactions do not contribute significantly to the hydrides of O+ ions detected by Herschel/HIFI that are present along many sight lines in the Galaxy. The O+ hydrides can be accounted for by conventional gas-phase chemistry either in diffuse clouds of very low density with normal cosmic-ray fluxes or in somewhat denser diffuse clouds with high cosmic-ray fluxes. Hydride chemistry in dense dark clouds appears to be dominated by gas-phase ion–molecule reactions.

  20. 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.

  1. 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…

  2. Atmospheric chemistry of cyclohexanone: UV spectrum and kinetics of reaction with chlorine atoms

    SciTech Connect

    Wallington, T.J.; Iwasaki, E.; Matsumi, Y.; Kaiser, E. W.; Calvert, Jack G

    2008-05-01

    Absolute and relative rate techniques were used to study the reactivity of Cl atoms with cyclohexanone in 6 Torr of argon or 800 950 Torr of N2 at 295 2 K. The absolute rate experiments gave k(Cl + cyclohexanone) = (1.88 0.38) 10 10, whereas the relative rate experiments gave k(Cl + cyclohexanone) = (1.66 0.26) 10 10 cm3 molecule 1 s 1. Cyclohexanone has a broad UV absorption band with a maximum cross section of (4.0 0.3) 10 20 cm2 molecule 1 near 285 nm. The results are discussed with respect to the literature data.

  3. Ion-Atom and Ion-Molecule Hybrid Systems: Ion-Neutral Chemistry at Ultralow Energies

    NASA Astrophysics Data System (ADS)

    Eberle, Pascal; Dörfler, Alexander D.; von Planta, Claudio; Ravi, Krishnamurthy; Haas, Dominik; Zhang, Dong; van de Meerakker, Sebastiaan Y. T.; Willitsch, Stefan

    2015-09-01

    The study of chemical reactions between ions and neutral species at very low energies reveals precise informations about the dynamics of collisions and fine details of intermolecular interactions. Here, we report progress towards the development of next- generation experiments for the investigation of cold ion-neutral reactions. First, we present a new ’’dynamic” hybrid ion-atom trap which enables the study of collisions with a superior energy resolution accessing a regime in which quantum scattering resonances may become observable. Second, we discuss and numerically characterize the concept and properties of a hybrid trap for cold neutral molecules and molecular ions which paves the way for the study of ion-molecule reactions in the millikelvin regime.

  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. 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.

  7. Calculation of the Relative Chemical Stabilities of Proteins as a Function of Temperature and Redox Chemistry in a Hot Spring

    PubMed Central

    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. PMID:21853048

  8. Atomic layer controlled deposition of Al 2O 3 films using binary reaction sequence chemistry

    NASA Astrophysics Data System (ADS)

    Ott, A. W.; McCarley, K. C.; Klaus, J. W.; Way, J. D.; George, S. M.

    1996-11-01

    Al 2O 3 films with precise thicknesses and high conformality were deposited using sequential surface chemical reactions. To achieve this controlled deposition, a binary reaction for Al 2O 3 chemical vapor deposition (2Al(CH 3) 3 + 3H 2O → Al 2O 3 + 6CH 4) was separated into two half-reactions: (A) AlOH ∗ + Al(CH 3) 3 → AlOAl(CH 3) 2∗ + CH 4, (B) AlCH 3∗ + H 2O → AlOH ∗ + CH 4, where the asterisks designate the surface species. Trimethylaluminum (Al(CH 3) 3) (TMA) and H 2O reactants were employed alternately in an ABAB … binary reaction sequence to deposit Al 2O 3 films on single-crystal Si(100) and porous alumina membranes with pore diameters of ˜ 220 Å. Ellipsometric measurements obtained a growth rate of 1.1 Å/AB cycle on the Si(100) substrate at the optimal reaction conditions. The Al 2O 3 films had an index of refraction of n = 1.65 that is consistent with a film density of ϱ = 3.50 g/cm 3. Atomic force microscope images revealed that the Al 2O 3 films were exceptionally flat with a surface roughness of only ±3 Å ( rms) after the deposition of ˜ 270 Å using 250 AB reaction cycles. Al 2O 3 films were also deposited inside the pores of Anodisc alumina membranes. Gas flux measurements for H 2 and N 2 were consistent with a progressive pore reduction versus number of AB reaction cycles. Porosimetry measurements also showed that the original pore diameter of ˜ 220 Å was reduced to ˜ 130 Å after 120 AB reaction cycles.

  9. KFC2: a knowledge-based hot spot prediction method based on interface solvation, atomic density, and plasticity features.

    PubMed

    Zhu, Xiaolei; Mitchell, Julie C

    2011-09-01

    Hot spots constitute a small fraction of protein-protein interface residues, yet they account for a large fraction of the binding affinity. Based on our previous method (KFC), we present two new methods (KFC2a and KFC2b) that outperform other methods at hot spot prediction. A number of improvements were made in developing these new methods. First, we created a training data set that contained a similar number of hot spot and non-hot spot residues. In addition, we generated 47 different features, and different numbers of features were used to train the models to avoid over-fitting. Finally, two feature combinations were selected: One (used in KFC2a) is composed of eight features that are mainly related to solvent accessible surface area and local plasticity; the other (KFC2b) is composed of seven features, only two of which are identical to those used in KFC2a. The two models were built using support vector machines (SVM). The two KFC2 models were then tested on a mixed independent test set, and compared with other methods such as Robetta, FOLDEF, HotPoint, MINERVA, and KFC. KFC2a showed the highest predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.85); however, the false positive rate was somewhat higher than for other models. KFC2b showed the best predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.62) among all methods other than KFC2a, and the False Positive Rate (FPR = 0.15) was comparable with other highly predictive methods.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. Measuring the influence of solution chemistry on the adhesion of au nanoparticles to mica using colloid probe atomic force microscopy.

    PubMed

    Thio, Beng Joo Reginald; Lee, Jung-Hyun; Meredith, J Carson; Keller, Arturo A

    2010-09-01

    Engineered nanoparticles are used increasingly in numerous commercial products, leading to concerns over their environmental fate and ecotoxicity. We report the adaptation of colloid probe atomic force microscopy (AFM) to quantitatively determine the adhesive behavior of gold nanoparticles (Au NPs) with mica, chosen as a model for sand, in various water chemistries. Au NP-covered polystyrene (PS) beads were prepared by a combined swelling-heteroaggregation (CSH) technique prior to attachment to tipless AFM cantilevers. Force measurements were performed over a range of solution conditions (pH, ionic strength (IS), and natural organic matter (NOM) content). Plain PS beads with no Au NPs were used as controls. In general, adhesion of Au NP-PS beads to mica were found to increase as IS increased while a rise in pH led to a decrease in adhesion. Plain PS beads were not observed to adhere to mica in any of the experimental solution conditions, and the PS force curves were unaffected by changes in the pH and electrolyte concentrations. In the presence of NOM, pull-off forces for Au NP-PS beads increased in magnitude when NaCl was added. In addition, the experimental approach force curves were not successfully described by the classical Derjaguin-Landau-Verwey-Overbeek (DLVO) theory of colloidal stability. To reconcile the discrepancy between theory and experiment, an extended DLVO (xDLVO) empirical model was used to account for the contribution of non-DLVO interactions (known collectively as structural forces) between the Au NPs and mica surfaces.

  16. 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.

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

    NASA Astrophysics Data System (ADS)

    Przybilla, Norbert; Schaffenroth, Veronika; Nieva, Maria-Fernanda

    2015-08-01

    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 astophysicist's dream has come true, by bringing observed and model spectra into close match over wide parts of the observed wavelength ranges. This facilitates tight observational constraints to be derived from OB-type stars for wide 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 in focus in the era of the upcoming extremely large telescopes.

  18. Atmospheric chemistry of 3-pentanol: kinetics, mechanisms, and products of Cl atom and OH radical initiated oxidation in the presence and absence of NOX.

    PubMed

    Hurley, M D; Wallington, T J; Bjarrum, M; Javadi, M S; Nielsen, O J

    2008-09-01

    Smog chamber/FTIR techniques were used to study the atmospheric chemistry of 3-pentanol and determine rate constants of k(Cl+3-pentanol) = (2.03 +/- 0.23) x 10 (-10) and k(OH+3-pentanol) = (1.32 +/- 0.15) x 10 (-11) cm (3) molecule (-1) s (-1) in 700 Torr of N 2/O 2 diluent at 296 +/- 2 K. The primary products of the Cl atom initiated oxidation of 3-pentanol in the absence of NO were (with molar yields) 3-pentanone (26 +/- 2%), propionaldehyde (12 +/- 2%), acetaldehyde (13 +/- 2%) and formaldehyde (2 +/- 1%). The primary products of the Cl atom initiated oxidation of 3-pentanol in the presence of NO were (with molar yields) 3-pentanone (51 +/- 4%), propionaldehyde (39 +/- 2%), acetaldehyde (44 +/- 4%) and formaldehyde (4 +/- 1%). The primary products of the OH radical initiated oxidation of 3-pentanol in the presence of NO were (with molar yields) 3-pentanone (58 +/- 3%), propionaldehyde (28 +/- 2%), and acetaldehyde (37 +/- 2%). In all cases the product yields were independent of oxygen concentration over the partial pressure range 10-700 Torr. The reactions of Cl atoms and OH radicals with 3-pentanol proceed 26 +/- 2 and 58 +/- 3%, respectively, via attack on the 3-position to give an alpha-hydroxyalkyl radical, which reacts with O 2 to give 3-pentanone. The results are discussed with respect to the literature data and atmospheric chemistry of 3-pentanol.

  19. 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.

  20. Average atom transport properties for pure and mixed species in the hot and warm dense matter regimes

    SciTech Connect

    Starrett, C. E.; Kress, J. D.; Collins, L. A.; Hanson, D. E.; Clerouin, J.; Recoules, V.

    2012-10-15

    The Kubo-Greenwood formulation for calculation of optical conductivities with an average atom model is extended to calculate thermal conductivities. The method is applied to species and conditions of interest for inertial confinement fusion. For the mixed species studied, the partial pressure mixing rule is used. Results including pressures, dc, and thermal conductivities are compared to ab initio calculations. Agreement for pressures is good, for both the pure and mixed species. For conductivities, it is found that the ad hoc renormalization method with line broadening, described in the text, gives best agreement with the ab initio results. However, some disagreement is found and the possible reasons for this are discussed.

  1. 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.

    2016-09-01

    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.

  2. Direct imaging of the atomic structure and chemistry of defects and interfaces by Z-contrast STEM (scanning transmission electron microscopy)

    SciTech Connect

    Pennycook, S.J.; Chisholm, M.F.; Jesson, D.E.; Norton, D.P.; McCamy, J.W.; Lowndes, D.H.

    1990-02-01

    Z-contrast scanning transmission electron microscopy (STEM) is a fundamentally new approach to high-resolution imaging which provides unambiguous, compositionally sensitive images on the atomic scale. Such images are intuitively interpretable, even in thick regions of the sample, tremendously simplifying determination of the structure and chemistry of defects and interfaces. To illustrate this, examples are presented of commonly observed planar defects in laser-ablated thin films of YBa{sub 2}Cu{sub 3}O{sub 7-x}. Film/substrate interfaces are shown to be chemically diffuse on the atomic scale and steps or undulations in the substrate need not result in defects in the film. Low-angle grain boundaries are found to be chemically clean, the drastic reductions in critical currents with tilt angle being due to the array of intrinsic structural defects comprising the boundary. 20 refs., 10 figs.

  3. Use of a CO{sub 2} pellet non-destructive cleaning system to decontaminate radiological waste and equipment in shielded hot cells at the Bettis Atomic Power Laboratory

    SciTech Connect

    Bench, T.R.

    1997-05-01

    This paper details how the Bettis Atomic Power Laboratory modified and utilized a commercially available, solid carbon dioxide (CO{sub 2}) pellet, non-destructive cleaning system to support the disposition and disposal of radioactive waste from shielded hot cells. Some waste materials and equipment accumulated in the shielded hot cells cannot be disposed directly because they are contaminated with transuranic materials (elements with atomic numbers greater than that of uranium) above waste disposal site regulatory limits. A commercially available CO{sub 2} pellet non-destructive cleaning system was extensively modified for remote operation inside a shielded hot cell to remove the transuranic contaminants from the waste and equipment without generating any secondary waste in the process. The removed transuranic contaminants are simultaneously captured, consolidated, and retained for later disposal at a transuranic waste facility.

  4. 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…

  5. 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.

  6. Direct electrothermal atomic absorption spectrometry determination of nickel in sea water using multiple hot injection and Zeeman correction.

    PubMed

    Bermejo-Barrera, P; Moreda-Piñeiro, J; Moreda-Piñeiro, A; Bermejo-Barrera, A

    1998-03-01

    Methods for the direct determination of Ni in sea water samples by ETAAS were developed using Zeeman effect background correction system (ZEBC) and a multi-injection technique. A mass of palladium nitrate of 2.5 mug (for an injection volume of 100 mul) was used as chemical modifier. The optimum pyrolysis and atomization temperatures were 1700 and 2100 degrees C, respectively. The characteristic mass (m(0)) and characteristic concentration (C(0)), precision and accuracy were studied for different injection volumes (20, 100 and 200 mul). For an injection volume of 100 mul (five 20 mul aliquot) of sample the accuracy analysis of different certified materials (saline and non saline water) was agreeable. The total time of the proposed procedure is 6 min. A m(0) and C(0) of 34.5 pg and 0.3 mug l(-1), respectively were obtained for this injection volume (100 mul). Finally, interferences from major and minor components of sea water was studied.

  7. In-Situ Hot Stage Atomic Force Microscopy Study of Poly(E-Caprolactone) Crystal Growth in Ultrathin Films

    NASA Astrophysics Data System (ADS)

    Prud'Homme, Robert E.; Mareau, Vincent H.

    2005-03-01

    Morphologies, growth rates and melting of isothermally crystallized ultrathin (200 to 1 nm) poly(e-caprolactone) (PCL) films have been investigated in real-time by atomic force microscopy. The flat-on orientation of the lamellar crystals relative to the substrate was determined by electron diffraction. The truncated lozenge shape PCL crystals observed at low undercooling become distorted for films of thicknesses equal or thinner than the lamellar thickness, which depends on the crystallization temperature but not on the initial film thickness. The melting behavior of distorted crystals differs from that of undistorted ones, and their growth is slower and non-linear. The crystal growth rate decreases greatly with the film thickness. All these observations are discussed in terms of the diffusion of the polymer chains from the melt to the crystal growth front.

  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

    DOE PAGESBeta

    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. 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

  9. 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…

  10. 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…

  11. 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…

  12. 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.

  13. 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…

  14. 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.

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

    DOE PAGESBeta

    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 → 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

  16. The Unique Gas-Phase Chemistry of the [AuO](+) /CH4 Couple: Selective Oxygen-Atom Transfer to, Rather than Hydrogen-Atom Abstraction from, Methane.

    PubMed

    Zhou, Shaodong; Li, Jilai; Schlangen, Maria; Schwarz, Helmut

    2016-08-26

    The thermal reaction of [AuO](+) with methane has been explored using FT-ICR mass spectrometry complemented by high-level quantum chemical calculations. In contrast to the previously studied congener [CuO](+) , and to [AgO](+) , [AuO](+) reacts with CH4 exclusively via oxygen-atom transfer to form CH3 OH, and a novel mechanistic scenario for this selective oxidation process has been revealed. Also, the origin of the inertness of the [AgO](+) /CH4 couple has been addressed computationally. PMID:27390885

  17. 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.

  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. Ion-neutral chemistry at ultralow energies: dynamics of reactive collisions between laser-cooled Ca+ ions and Rb atoms in an ion-atom hybrid trap†

    NASA Astrophysics Data System (ADS)

    Hall, Felix H. J.; Eberle, Pascal; Hegi, Gregor; Raoult, Maurice; Aymar, Mireille; Dulieu, Olivier; Willitsch, Stefan

    2013-08-01

    Cold chemical reactions between laser-cooled Ca+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the range of collision energies ⟨E coll⟩/k B=20 mK-20 K. The lowest energies were achieved in experiments using single localised Ca+ ions. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes in this system (non-radiative and radiative charge transfer as well as radiative association leading to the formation of CaRb+ molecular ions) have been analysed using high-level quantum-chemical calculations of the potential energy curves of CaRb+ and quantum-scattering calculations for the radiative channels. For the present low-energy scattering experiments, it is shown that the energy dependence of the reaction rate constants is governed by long-range interactions in line with the classical Langevin model, but their magnitude is determined by short-range non-adiabatic and radiative couplings which only weakly depend on the asymptotic energy. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral reactive collisions.

  20. 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…

  1. 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)

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

    NASA Astrophysics Data System (ADS)

    Fu, Q.; Socki, R.; Niles, P. B.; Romanek, C. S.; Datta, S.; Darnell, M.; Bissada, A. K.

    2013-12-01

    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, however, their origins and formation conditions remain unknown. Thus, studying hydrothermal springs in this area provides us an opportunity to understand subsurface (bio)chemical processes that generate organic compounds, and aid in future development and exploration of potential energy resources as well. While isotope measurement has long been used for identification of their origins, there are 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 lines of evidence, including water chemistry and rock compositions, are necessary to identify origins of volatile compounds. Surprise Valley Hot Springs (SVHS, 41°32'N, 120°5'W), located in a typical basin and range province 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 during late Tertiary and Quaternary. Water and gas samples were collected for a variety of chemical and isotope composition analyses, including in-situ pH, alkalinity, 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 SO42-, 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 by both dissolved SiO2 and Na-K-Ca geothermometers are in the range of 125.0 to 135.4 °C, and

  3. 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

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Atomic scale studies of the chemistry of the Cu/MgO l brace 111 r brace heterophase interface

    SciTech Connect

    Jang, H.; Seidman, D.N. ); Merkle, K.L. )

    1992-01-01

    The Cu/MgO (111) heterophase interface is studied using a combination of transmission electron microscopy, high resolution electron microscopy and atom-probe field-ion microscopy techniques. Wire and foil specimens of a Cu-2.8 at.% Mg alloy were internally oxidized to produce MgO precipitates at a number density of 5{center dot}10{sup 15}Cm{sup {minus}3} with a mean diameter of {approx}200 {Angstrom}. The MgO precipitates have a semicoherent interface with the Cu matrix and they exhibit a cube-on-cube orientation relationship. The octahedral-shaped MgO precipitates were analyzed using APFIM by dissecting along a <111> direction on an atomic scale. In this manner an MgO precipitate, with a (111) plane perpendicular to the axis of the APFIM, is uncovered after the Cu matrix has been mass analyzed. It was found that the terminating (222) plane of an MgO precipitate is pure oxygen, and the second (222) plane is pure Mg.

  14. 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)

  15. Circumstellar chemistry

    NASA Technical Reports Server (NTRS)

    Glassgold, A. E.; Mamon, G. A.

    1991-01-01

    Recent theoretical studies of circumstellar chemistry are discussed for both red-giant and protostellar winds. The generalized photochemical model is able to account for the recently discovered silicon-bearing molecules in the prototypical, C-rich, AGB star IRC + 10216. The surprising occurrence of CO in protostellar winds that are largely atomic is interpreted to be the result of the high density and the rapid decrease of the temperature with distance that is expected for such winds.

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

    SciTech Connect

    Manos Mavrikakis; James A. Dumesic; Amit A. Gokhale; Rahul P. Nabar; Calvin H. Bartholomew; Hu Zou; Brian Critchfield

    2006-03-03

    Efforts during this second year focused on four areas: (1) continued searching and summarizing of published Fischer-Tropsch synthesis (FTS) mechanistic and kinetic studies of FTS reactions on iron catalysts; (2) investigation of CO adsorption/desorption and temperature programmed hydrogenation (TPH) of carbonaceous species after FTS on unsupported iron and alumina-supported iron catalysts; (3) activity tests of alumina-supported iron catalysts in a fixed bed reactor; (4) sequential design of experiments, for the collection of rate data in a Berty CSTR reactor, and nonlinear-regression analysis to obtain kinetic parameters. Literature sources describing mechanistic and kinetic studies of Fischer-Tropsch synthesis on iron catalysts were compiled in a review. Temperature-programmed desorption/reaction methods (the latter using mass-spectrometry detection and also thermogravimetric analyzer (TGA)) were utilized to study CO adsorption/-desorption on supported and unsupported iron catalysts. Molecular and dissociative adsorptions of CO occur on iron catalysts at 25-150 C. The amounts adsorbed and bond strengths of adsorption are influenced by supports and promoters. That CO adsorbs dissociatively on polycrystalline Fe at temperatures well below those of FT reaction indicates that CO dissociation is facile and unlikely to be the rate-limiting step during FTS. Carbonaceous species formed after FT reaction for only 5 minutes at 200 C were initially hydrogenated under mild, isothermal condition (200 C and 1 atm), followed by TPH to 800 C. During the mild, isothermal hydrogenation, only about 0.1-0.2 mL of atomic carbon is apparently removed, while during TPH to 800 C multilayer equivalents of atomic, polymeric, carbidic, and graphitic carbons are removed. Rates of CO conversion on alumina-supported iron catalysts at 220-260 C and 20 atm are correlated well by a Langmuir-Hinshelwood expression, derived assuming carbon hydrogenation to CH and OH recombination to water to be

  20. How Iron-Containing Proteins Control Dioxygen Chemistry: A Detailed Atomic Level Description Via Accurate Quantum Chemical and Mixed Quantum Mechanics/Molecular Mechanics Calculations.

    SciTech Connect

    Friesner, Richard A.; Baik, Mu-Hyun; Gherman, Benjamin F.; Guallar, Victor; Wirstam, Maria E.; Murphy, Robert B.; Lippard, Stephen J.

    2003-03-01

    Over the past several years, rapid advances in computational hardware, quantum chemical methods, and mixed quantum mechanics/molecular mechanics (QM/MM) techniques have made it possible to model accurately the interaction of ligands with metal-containing proteins at an atomic level of detail. In this paper, we describe the application of our computational methodology, based on density functional (DFT) quantum chemical methods, to two diiron-containing proteins that interact with dioxygen: methane monooxygenase (MMO) and hemerythrin (Hr). Although the active sites are structurally related, the biological function differs substantially. MMO is an enzyme found in methanotrophic bacteria and hydroxylates aliphatic C-H bonds, whereas Hr is a carrier protein for dioxygen used by a number of marine invertebrates. Quantitative descriptions of the structures and energetics of key intermediates and transition states involved in the reaction with dioxygen are provided, allowing their mechanisms to be compared and contrasted in detail. An in-depth understanding of how the chemical identity of the first ligand coordination shell, structural features, electrostatic and van der Waals interactions of more distant shells control ligand binding and reactive chemistry is provided, affording a systematic analysis of how iron-containing proteins process dioxygen. Extensive contact with experiment is made in both systems, and a remarkable degree of accuracy and robustness of the calculations is obtained from both a qualitative and quantitative perspective.

  1. Manipulation of gold colloidal nanoparticles with atomic force microscopy in dynamic mode: influence of particle–substrate chemistry and morphology, and of operating conditions

    PubMed Central

    Darwich, Samer; Rao, Akshata; Gnecco, Enrico; Jayaraman, Shrisudersan; Haidara, Hamidou

    2011-01-01

    Summary One key component in the assembly of nanoparticles is their precise positioning to enable the creation of new complex nano-objects. Controlling the nanoscale interactions is crucial for the prediction and understanding of the behaviour of nanoparticles (NPs) during their assembly. In the present work, we have manipulated bare and functionalized gold nanoparticles on flat and patterned silicon and silicon coated substrates with dynamic atomic force microscopy (AFM). Under ambient conditions, the particles adhere to silicon until a critical drive amplitude is reached by oscillations of the probing tip. Beyond that threshold, the particles start to follow different directions, depending on their geometry, size and adhesion to the substrate. Higher and respectively, lower mobility was observed when the gold particles were coated with methyl (–CH3) and hydroxyl (–OH) terminated thiol groups. This major result suggests that the adhesion of the particles to the substrate is strongly reduced by the presence of hydrophobic interfaces. The influence of critical parameters on the manipulation was investigated and discussed viz. the shape, size and grafting of the NPs, as well as the surface chemistry and the patterning of the substrate, and finally the operating conditions (temperature, humidity and scan velocity). Whereas the operating conditions and substrate structure are shown to have a strong effect on the mobility of the particles, we did not find any differences when manipulating ordered vs random distributed particles. PMID:21977418

  2. 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.

  3. 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.

  4. 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…

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. [Photonic crystals for analytical chemistry].

    PubMed

    Chen, Yi; Li, Jincheng

    2009-09-01

    Photonic crystals, originally created to control the transmission of light, have found their increasing value in the field of analytical chemistry and are probable to become a hot research area soon. This review is hence composed, focusing on their analytical chemistry-oriented applications, including especially their use in chromatography, capillary- and chip-based electrophoresis.

  10. 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…

  11. 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.

  12. Atmospheric chemistry of (CF3)2C=CH2: OH radicals, Cl atoms and O3 rate coefficients, oxidation end-products and IR spectra.

    PubMed

    Papadimitriou, Vassileios C; Spitieri, Christina S; Papagiannakopoulos, Panos; Cazaunau, Mathieu; Lendar, Maria; Daële, Véronique; Mellouki, Abdelwahid

    2015-10-14

    The rate coefficients for the gas phase reactions of OH radicals, k1, Cl atoms, k2, and O3, k3, with 3,3,3-trifluoro-2(trifluoromethyl)-1-propene ((CF3)2C=CH2, hexafluoroisobutylene, HFIB) were determined at room temperature and atmospheric pressure employing the relative rate method and using two atmospheric simulation chambers and a static photochemical reactor. OH and Cl rate coefficients obtained by both techniques were indistinguishable, within experimental precision, and the average values were k1 = (7.82 ± 0.55) × 10(-13) cm(3) molecule(-1) s(-1) and k2 = (3.45 ± 0.24) × 10(-11) cm(3) molecule(-1) s(-1), respectively. The quoted uncertainties are at 95% level of confidence and include the estimated systematic uncertainties. An upper limit for the O3 rate coefficient was determined to be k3 < 9.0 × 10(-22) cm(3) molecule(-1) s(-1). In global warming potential (GWP) calculations, radiative efficiency (RE) was determined from the measured IR absorption cross-sections and treating HFIB both as long (LLC) and short (SLC) lived compounds, including estimated lifetime dependent factors in the SLC case. The HFIB lifetime was estimated from kinetic measurements considering merely the OH reaction, τOH = 14.8 days and including both OH and Cl chemistry, τeff = 10.3 days. Therefore, GWP(HFIB,OH) and GWP(HFIB,eff) were estimated to be 4.1 (LLC) and 0.6 (SLC), as well as 2.8 (LLC) and 0.3 (SLC) for a hundred year time horizon. Moreover, the estimated photochemical ozone creation potential (ε(POCP)) of HFIB was calculated to be 4.60. Finally, HCHO and (CF3)2C(O) were identified as final oxidation products in both OH- and Cl-initiated oxidation, while HC(O)Cl was additionally observed in the Cl-initiated oxidation. PMID:26372403

  13. 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

  14. 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)

  15. Realization of atomically flat steps and terraces like surface of SrTiO3 (001) single crystal by hot water etching and high temperature annealing

    NASA Astrophysics Data System (ADS)

    Prakash, Bhanu; Chakraverty, S.

    2015-07-01

    We have successfully prepared atomically flat single-terminated SrTiO3(001) surface using a mild and reproducible etching technique combined with high temperature annealing. To achieve single terminated surface, deionised water at 60 °C was used to selectively etch SrO composites from the substrate surface. A clear step-and-terrace like surface morphology is observed by subsequent air annealing at 1000 °C. Atomic Force Microscopy suggests the step height (~0.4 nm) corresponding to the lattice parameter of SrTiO3, which confirms the formation of single-terminated surface. This chemical-free mild etching technique might be useful to prepare single-terminated surface, especially for the perovskites containing reactive elements.

  16. 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

  17. Modelling of non-LTE atomic physics processes in hot dense plasmas during the interaction with an intense short pulse laser

    NASA Astrophysics Data System (ADS)

    Davis, J.; Petrov, G. M.

    2014-05-01

    The implicit 2D3V particle-in-cell (PIC) code developed to study the interaction of intense lasers with matter (Petrov and Davis 2008 Comput. Phys. Commun. 179 868-80 2011 Phys. Plasmas 18 073102) has been extended to include atomic physics under extreme energy density conditions. The atomic physics model is applied to aluminium. Each ionization stage contains two levels: one ground and one lumped excited state, for which various atomic physics processes such as optical field ionization, collisional ionization, excitation, de-excitation and radiative decay describe the population density. Two-dimensional PIC simulations have been carried out for laser pulses with peak intensity 1 × 1020 W cm-2, pulse duration 60 fs, spot size 3 µm and energy 0.75 J interacting with ultrathin (0.2 µm) Al foil. Radiation emitted during the laser-target interaction is computed by accounting for both bound-bound transitions and bremsstrahlung radiation. We demonstrate that the radiation signature of laser-produced plasma can be used as a complementary tool to other diagnostic techniques used in laser-plasma interactions. Finally, results from the PIC model are compared to equilibrium calculations (Maxwell-Boltzmann and Saha). In the early stages of laser-plasma interactions (<100 fs) the plasma is far from equilibrium and equilibrium models can not be applied with confidence to model the plasma.

  18. Hot Groups.

    ERIC Educational Resources Information Center

    Vail, Kathleen

    1996-01-01

    Collaborators sparked by creative ideas and obsessed by a common task may not realize they're part of a "hot group"--a term coined by business professors Harold J. Leavitt and Jean Lipman-Blumen. Spawned by group decision making and employee empowerment, hot groups can flourish in education settings. They're typically small, short lived, and goal…

  19. Titan's corona: The contribution of exothermic chemistry

    NASA Astrophysics Data System (ADS)

    De La Haye, V.; Waite, J. H.; Cravens, T. E.; Nagy, A. F.; Johnson, R. E.; Lebonnois, S.; Robertson, I. P.

    2007-11-01

    The contribution of exothermic ion and neutral chemistry to Titan's corona is studied. The production rates for fast neutrals N 2, CH 4, H, H 2, 3CH 2, CH 3, C 2H 4, C 2H 5, C 2H 6, N( 4S), NH, and HCN are determined using a coupled ion and neutral model of Titan's upper atmosphere. After production, the formation of the suprathermal particles is modeled using a two-stream simulation, as they travel simultaneously through a thermal mixture of N 2, CH 4, and H 2. The resulting suprathermal fluxes, hot density profiles, and energy distributions are compared to the N 2 and CH 4 INMS exospheric data presented in [De La Haye, V., Waite Jr., J.H., Johnson, R.E., Yelle, R.V., Cravens, T.E., Luhmann, J.G., Kasprzak, W.T., Gell, D.A., Magee, B., Leblanc, F., Michael, M., Jurac, S., Robertson, I.P., 2007. J. Geophys. Res., doi:10.1029/2006JA012222, in press], and are found insufficient for producing the suprathermal populations measured. Global losses of nitrogen atoms and carbon atoms in all forms due to exothermic chemistry are estimated to be 8.3×10 Ns and 7.2×10 Cs.

  20. 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.

  1. 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…

  2. 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,…

  3. Atom Probe Tomography and Its Application to Refractory Metal Nuggets

    NASA Astrophysics Data System (ADS)

    Daly, L.; Bland, P. A.; Forman, L. V.; Reddy, S. M.; Rickard, W. D. A.; Saxey, D. W.; La Fontaine, A.; Yang, L.; Trimby, P. W.; Cairney, J.; Ringer, S.; Schaefer, B. F.

    2016-08-01

    Atom probe tomography is capable of achieving atomic resolution. This allows us to accurately measure the chemistry of refractory metal nuggets in situ, revealing nanometre scale variations in their chemistry and the presence of sulphur in the alloy.

  4. 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)

  5. 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.

  6. 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. PMID:25469518

  7. 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…

  8. 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.

  9. The atomic structure and chemistry of Fe-rich steps on antiphase boundaries in Ti-doped Bi{sub 0.9}Nd{sub 0.15}FeO{sub 3}

    SciTech Connect

    MacLaren, Ian Craven, Alan J.; Schaffer, Bernhard; Wang, LiQiu; Ramasse, Quentin M.; Kalantari, Kambiz; Reaney, Ian M.

    2014-06-01

    Stepped antiphase boundaries are frequently observed in Ti-doped Bi{sub 0.85}Nd{sub 0.15}FeO{sub 3}, related to the novel planar antiphase boundaries reported recently. The atomic structure and chemistry of these steps are determined by a combination of high angle annular dark field and bright field scanning transmission electron microscopy imaging, together with electron energy loss spectroscopy. The core of these steps is found to consist of 4 edge-sharing FeO{sub 6} octahedra. The structure is confirmed by image simulations using a frozen phonon multislice approach. The steps are also found to be negatively charged and, like the planar boundaries studied previously, result in polarisation of the surrounding perovskite matrix.

  10. 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,…

  11. Surface chemistry of copper metal and copper oxide atomic layer deposition from copper(ii) acetylacetonate: a combined first-principles and reactive molecular dynamics study.

    PubMed

    Hu, Xiao; Schuster, Jörg; Schulz, Stefan E; Gessner, Thomas

    2015-10-28

    Atomistic mechanisms for the atomic layer deposition using the Cu(acac)2 (acac = acetylacetonate) precursor are studied using first-principles calculations and reactive molecular dynamics simulations. The results show that Cu(acac)2 chemisorbs on the hollow site of the Cu(110) surface and decomposes easily into a Cu atom and the acac-ligands. A sequential dissociation and reduction of the Cu precursor [Cu(acac)2 → Cu(acac) → Cu] are observed. Further decomposition of the acac-ligand is unfavorable on the Cu surface. Thus additional adsorption of the precursors may be blocked by adsorbed ligands. Molecular hydrogen is found to be nonreactive towards Cu(acac)2 on Cu(110), whereas individual H atoms easily lead to bond breaking in the Cu precursor upon impact, and thus release the surface ligands into the gas-phase. On the other hand, water reacts with Cu(acac)2 on a Cu2O substrate through a ligand-exchange reaction, which produces gaseous H(acac) and surface OH species. Combustion reactions with the main by-products CO2 and H2O are observed during the reaction between Cu(acac)2 and ozone on the CuO surface. The reactivity of different co-reactants toward Cu(acac)2 follows the order H > O3 > H2O. PMID:26399423

  12. Surface chemistry of copper metal and copper oxide atomic layer deposition from copper(ii) acetylacetonate: a combined first-principles and reactive molecular dynamics study.

    PubMed

    Hu, Xiao; Schuster, Jörg; Schulz, Stefan E; Gessner, Thomas

    2015-10-28

    Atomistic mechanisms for the atomic layer deposition using the Cu(acac)2 (acac = acetylacetonate) precursor are studied using first-principles calculations and reactive molecular dynamics simulations. The results show that Cu(acac)2 chemisorbs on the hollow site of the Cu(110) surface and decomposes easily into a Cu atom and the acac-ligands. A sequential dissociation and reduction of the Cu precursor [Cu(acac)2 → Cu(acac) → Cu] are observed. Further decomposition of the acac-ligand is unfavorable on the Cu surface. Thus additional adsorption of the precursors may be blocked by adsorbed ligands. Molecular hydrogen is found to be nonreactive towards Cu(acac)2 on Cu(110), whereas individual H atoms easily lead to bond breaking in the Cu precursor upon impact, and thus release the surface ligands into the gas-phase. On the other hand, water reacts with Cu(acac)2 on a Cu2O substrate through a ligand-exchange reaction, which produces gaseous H(acac) and surface OH species. Combustion reactions with the main by-products CO2 and H2O are observed during the reaction between Cu(acac)2 and ozone on the CuO surface. The reactivity of different co-reactants toward Cu(acac)2 follows the order H > O3 > H2O.

  13. 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…

  14. 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)

  15. Chemistry Notes.

    ERIC Educational Resources Information Center

    School Science Review, 1978

    1978-01-01

    Describes experiments, demonstrations, activities and ideas relating to various fields of chemistry to be used in chemistry courses of secondary schools. Three experiments concerning differential thermal analysis are among these notes presented. (HM)

  16. 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)

  17. Colour Chemistry

    ERIC Educational Resources Information Center

    Griffiths, J.; Rattee, I. D.

    1973-01-01

    Discusses the course offerings in pure color chemistry at two universities and the three main aspects of study: dyestuff chemistry, color measurement, and color application. Indicates that there exists a constant challenge to ingenuity in the subject discipline. (CC)

  18. 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.

  19. 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…

  20. Oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives by nitrous oxide via selective oxygen atom transfer reactions: insights from quantum chemistry calculations.

    PubMed

    Xie, Hujun; Liu, Chengcheng; Yuan, Ying; Zhou, Tao; Fan, Ting; Lei, Qunfang; Fang, Wenjun

    2016-01-21

    The mechanisms for the oxidation of phenyl and hydride ligands of bis(pentamethylcyclopentadienyl)hafnium derivatives (Cp* = η(5)-C5Me5) by nitrous oxide via selective oxygen atom transfer reactions have been systematically studied by means of density functional theory (DFT) calculations. On the basis of the calculations, we investigated the original mechanism proposed by Hillhouse and co-workers for the activation of N2O. The calculations showed that the complex with an initial O-coordination of N2O to the coordinatively unsaturated Hf center is not a local minimum. Then we proposed a new reaction mechanism to investigate how N2O is activated and why N2O selectively oxidize phenyl and hydride ligands of . Frontier molecular orbital theory analysis indicates that N2O is activated by nucleophilic attack by the phenyl or hydride ligand. Present calculations provide new insights into the activation of N2O involving the direct oxygen atom transfer from nitrous oxide to metal-ligand bonds instead of the generally observed oxygen abstraction reaction to generate metal-oxo species.

  1. 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.

  2. Atomic scale studies of the chemistry of the Cu/MgO {l_brace}111{r_brace} heterophase interface

    SciTech Connect

    Jang, H.; Seidman, D.N.; Merkle, K.L.

    1992-08-01

    The Cu/MgO [111] heterophase interface is studied using a combination of transmission electron microscopy, high resolution electron microscopy and atom-probe field-ion microscopy techniques. Wire and foil specimens of a Cu-2.8 at.% Mg alloy were internally oxidized to produce MgO precipitates at a number density of 5{center_dot}10{sup 15}Cm{sup {minus}3} with a mean diameter of {approx}200 {Angstrom}. The MgO precipitates have a semicoherent interface with the Cu matrix and they exhibit a cube-on-cube orientation relationship. The octahedral-shaped MgO precipitates were analyzed using APFIM by dissecting along a <111> direction on an atomic scale. In this manner an MgO precipitate, with a [111] plane perpendicular to the axis of the APFIM, is uncovered after the Cu matrix has been mass analyzed. It was found that the terminating [222] plane of an MgO precipitate is pure oxygen, and the second [222] plane is pure Mg.

  3. The radiative association of P and O atoms

    NASA Astrophysics Data System (ADS)

    Andreazza, C. M.; de Almeida, A. A.; Borin, A. C.

    2016-04-01

    The formation of PO from the radiative association of phosphorus and oxygen atoms has been estimated by accurate quantum chemistry calculations. The radiative association of P and O atoms along the B2Σ+ potential energy curve is the most efficient way of producing PO in the X2Π ground state. For temperatures ranging between 300 and 14 000 K, the rate coefficients are found to vary from 1.61 × 10-24 to 1.99 × 10-18 cm3s-1, respectively. These values indicate that only a very small amount of PO molecules can be formed by radiative association in dense and hot gas close to the photosphere of evolved oxygen-rich stars and other hostile environments.

  4. Ion-neutral chemistry at ultralow energies:Dynamics of reactive collisions between laser-cooled Ca+ or Ba+ ions and Rb atoms in an ion-atom hybrid trap

    NASA Astrophysics Data System (ADS)

    Dulieu, O.; Hall, F. H. J.; Eberle, P.; Hegi, G.; Raoult, M.; Aymar, M.; Willitsch, S.

    2013-05-01

    Cold chemical reactions between laser-cooled Ca+ or Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. Reaction rate constants were determined in the collision energy range Ecoll /kB = 20 mK-20 K. Product branching ratios were studied using resonant-excitation mass spectrometry. The dynamics of the reactive processes including the radiative formation of CaRb+ and BaRb+ molecular ions has been analyzed using accurate potential energy curves and quantum-scattering calculations for the radiative channels. It is shown that the energy dependence of the reaction rates is governed by long-range interactions, while its magnitude is determined by short-range non-adiabatic and radiative couplings. The quantum character of the collisions is predicted to manifest itself in the occurrence of narrow shape resonances at well-defined collision energies. The present results highlight both universal and system-specific phenomena in cold ion-neutral collisions. This work was supported by the Swiss National Science Foundation and the COST Action ''Ion Traps for Tomorrow's Applications''.

  5. 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.

  6. Forensic Chemistry

    NASA Astrophysics Data System (ADS)

    Bell, Suzanne

    2009-07-01

    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.

  7. The Faraday filter-based spectrometer for observing sodium nightglow and studying atomic and molecular oxygen associated with the sodium chemistry in the mesopause region

    NASA Astrophysics Data System (ADS)

    Harrell, Sean D.; She, Chiao-Yao; Yuan, Tao; Krueger, David A.; Plane, J. M. C.; Slanger, Tom

    2010-11-01

    This paper describes the operational principles, design and field testing of a new, compact, Faraday filter-based spectrometer to measure the D2 (589.158 nm) to D1 (589.756 nm) intensity ratio of the sodium nightglow. This work was motivated by the observations of Slanger et al. (2005) who reported an annual variation in D2/D1 with values ranging from 1.2 to 1.8. Their proposed explanation, a modified Chapman mechanism, requires that the intensity ratio is related to the concentration ratio of atomic oxygen [O] to molecular oxygen [O2]. Our method of measuring D2/D1 utilizes narrowband Na vapor Faraday filters, which can yield observations on the fractional contributions of the two chemical pathways of the modified Chapman mechanism. Since delineation of the two chemical pathways requires a spectral resolution of 0.0002 nm, this is not possible with any other existing instrument.

  8. Highly regioselective hydride transfer, oxidative dehydrogenation, and hydrogen-atom abstraction in the thermal gas-phase chemistry of [Zn(OH)](+)/C3H8.

    PubMed

    Wu, Xiao-Nan; Zhao, Hai-Tao; Li, Jilai; Schlangen, Maria; Schwarz, Helmut

    2014-12-28

    The thermal reactions of [Zn(OH)](+) with C3H8 have been studied by means of gas-phase experiments and computational investigation. Two types of C-H bond activation are observed in the experiment, and pertinent mechanistic features include inter alia: (i) the metal center of [Zn(OH)](+) serves as active site in the hydride transfer to generate [i-C3H7](+) as major product, (ii) generally, a high regioselectivity is accompanied by remarkable chemoselectivity: for example, the activation of a methyl C-H bond results mainly in the formation of water and [Zn(C3,H7)](+). According to computational work, this ionic product corresponds to [HZn(CH3CH=CH2)](+). Attack of the zinc center at a secondary C-H bond leads preferentially to hydride transfer, thus giving rise to the generation of [i-C3H7](+); (iii) upon oxidative dehydrogenation (ODH), liberation of CH3CH2=CH2 occurs to produce [HZn(H2O)](+). Both, ODH as well as H2O loss proceed through the same intermediate which is characterized by the fact that a methylene hydrogen atom from the substrate is transferred to the zinc and one hydrogen atom from the methyl group to the OH group of [Zn(OH)](+). The combined experimental/computational gas-phase study of C-H bond activation by zinc hydroxide provides mechanistic insight into related zinc-catalyzed large-scale processes and identifies the crucial role that the Lewis-acid character of zinc plays. PMID:25230924

  9. Barrier heights for H-atom abstraction by H*O2 from n-butanol--a simple yet exacting test for model chemistries?

    PubMed

    Black, Gráinne; Simmie, John M

    2010-04-30

    The barrier heights involved in the abstraction of a hydrogen atom from n-butanol by the hydroperoxyl radical have been computed with both compound (CBS-QB3, CBS-APNO, G3) and coupled cluster methods. In particular, the benchmark computations CCSD(T)/cc-pVTZ//MP2/6-311G(d,p) were used to determine that the barrier heights increase in the order alpha < gamma < beta < delta < OH. Two prereaction hydrogen-bonded complexes are formed, one of which connects the TGt conformer of n-butanol to the alpha and beta transition states and the other connects to the gamma and OH channels from the TGg conformer. Four postreaction complexes were also found which link the transition states to the products, hydrogen peroxide + C(4)H(9)O radical. Abstraction from the terminal delta carbon atom does not involve either a pre or postreaction complex. A number of DFT functionals-B3LYP, BMK, MPWB1K, BB1K, MPW1K, and M05-2X-were tested to see whether the correct ranking could be obtained with computationally less expensive methods. Only the later functional predicts the correct order but requires a basis set of 6-311++G(df,pd) to achieve this. However, the absolute values obtained do not agree that well with the benchmarks; the composite G3 method predicts the correct order and comes closest (< or = 2 kJ, mol (-1)) in absolute numerical terms for H-abstraction from carbon. PMID:19882733

  10. 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.

  11. Chemistry of superheavy elements.

    PubMed

    Schädel, Matthias

    2006-01-01

    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.

  12. Uranium triamidoamine chemistry.

    PubMed

    Gardner, Benedict M; Liddle, Stephen T

    2015-07-01

    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.

  13. Bonds Between Atoms.

    ERIC Educational Resources Information Center

    Holden, Alan

    The field of inquiry into how atoms are bonded together to form molecules and solids crosses the borderlines between physics and chemistry encompassing methods characteristic of both sciences. At one extreme, the inquiry is pursued with care and rigor into the simplest cases; at the other extreme, suggestions derived from the more careful inquiry…

  14. 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…

  15. 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.

  16. 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.

  17. Atmospheric Chemistry of Tetrahydrofuran, 2-Methyltetrahydrofuran, and 2,5-Dimethyltetrahydrofuran: Kinetics of Reactions with Chlorine Atoms, OD Radicals, and Ozone.

    PubMed

    Andersen, Christina; Nielsen, Ole John; Østerstrøm, Freja F; Ausmeel, Stina; Nilsson, Elna J K; Sulbaek Andersen, Mads P

    2016-09-22

    FTIR smog chamber techniques were used to study the kinetics of the gas-phase reactions of Cl atoms, OD radicals, and O3 with the five-membered ring-structured compounds tetrahydrofuran (C4H8O, THF), 2-methyltetrahydrofuran (CH3C4H7O, 2-MTHF), 2,5-dimethyltetrahydrofuran ((CH3)2C4H5O, 2,5-DMTHF), and furan (C4H4O). The rate coefficients determined using relative rate methods were kTHF+Cl = (1.96 ± 0.24) × 10(-10), kTHF+OD = (1.81 ± 0.27) × 10(-11), kTHF+O3 = (6.41 ± 2.90) × 10(-21), k2-MTHF+Cl = (2.65 ± 0.43) × 10(-10), k2-MTHF+OD = (2.41 ± 0.51) × 10(-11), k2-MTHF+O3 = (1.87 ± 0.82) × 10(-20), k2,5-DMTHF+OD = (4.56 ± 0.68) × 10(-11), k2,5-DMTHF+Cl = (2.84 ± 0.34) × 10(-10), k2,5-DMTHF+O3 = (4.58 ± 2.18), kfuran+Cl = (2.39 ± 0.27) × 10(-10), and kfuran+O3 = (2.60 ± 0.31) × 10(-18) molecules cm(-3) s(-1). Rate coefficients of the reactions with ozone were also determined using the absolute rate method under pseudo-first-order conditions. OD radicals, in place of OH radicals, were produced from CD3ONO to avoid spectral overlap of isopropyl and methyl nitrite with the reactants. The kinetics of OD radical reactions are expected to resemble the kinetics of OH radical reactions, and the rate coefficients of the reactions with OD radicals were used to calculate the atmospheric lifetimes with respect to reactions with OH radicals. The lifetimes of THF, 2-MTHF, and 2,5-DMTHF are approximately 15, 12, and 6 h, respectively. PMID:27556743

  18. 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…

  19. 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)

  20. Energy of Atoms and Molecules, Science (Experimental): 5316.05.

    ERIC Educational Resources Information Center

    Buffaloe, Jacquelin F.

    This third unit in chemistry is considered for any chemistry student and particularly the college-bound student. An understanding of the material included should enable the student to understand better the concepts in the Dynamic Nature of Atoms and Molecules which are essential for Organic Chemistry, the Chemistry of Carbon and Its Compounds and…

  1. Are hot Neptunes partially evaporated hot Jupiters?

    NASA Astrophysics Data System (ADS)

    Boué, G.; Figueira, P.; Correia, A. C. M.; Santos, N. C.

    2011-10-01

    The detection of short period planets (hot Jupiters and their lower mass counterparts, hot Neptunes and super-Earths) still defies the models of planet formation and evolution. Several possibilities have been proposed to explain the nature and formation process of the lower mass population, including in situ formation, disk migration, planet-planet scattering and kozai evolution, and the evaporation of a higher mass hot Jupiter. Using dynamical models and the best estimates for evaporation velocities, we show that under reasonable (and observed) physical conditions, hot Jupiter evaporation may explain the observed population of hot Neptunes/super-Earths.

  2. Are Hot Neptunes Partialy Evaporated Hot Jupiters?

    NASA Astrophysics Data System (ADS)

    Santos, Nuno; Boue, G.; Figueira, P.; Correia, A.

    2011-09-01

    The detection of short period planets (hot Jupiters and their lower mass counterparts, hot neptunes and super-earths) still defies the models of planet formation and evolution. Several possibilities have been proposed to explain the nature and formation process of the lower mass population, including in situ formation, disk migration, planet-planet scattering and kozai evolution, and the evaporation of a higher mass hot Jupiter. Using dynamical models and the best estimates for evaporation velocities, we show that under reasonable (and observed) physical conditions, hot Jupiter evaporation can explain the observed population of hot Neptunes/super-Earths.

  3. 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.

  4. 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…

  5. 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.…

  6. 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.

  7. 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)

  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. 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)

  10. 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)

  11. 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)

  12. 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)

  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. Computer Modeling Of Atomization

    NASA Technical Reports Server (NTRS)

    Giridharan, M.; Ibrahim, E.; Przekwas, A.; Cheuch, S.; Krishnan, A.; Yang, H.; Lee, J.

    1994-01-01

    Improved mathematical models based on fundamental principles of conservation of mass, energy, and momentum developed for use in computer simulation of atomization of jets of liquid fuel in rocket engines. Models also used to study atomization in terrestrial applications; prove especially useful in designing improved industrial sprays - humidifier water sprays, chemical process sprays, and sprays of molten metal. Because present improved mathematical models based on first principles, they are minimally dependent on empirical correlations and better able to represent hot-flow conditions that prevail in rocket engines and are too severe to be accessible for detailed experimentation.

  15. 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.

  16. 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)

  17. 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. PMID:19780101

  18. Radiation Chemistry

    NASA Astrophysics Data System (ADS)

    Wojnárovits, L.

    Ionizing radiation causes chemical changes in the molecules of the interacting medium. The initial molecules change to new molecules, resulting in changes of the physical, chemical, and eventually biological properties of the material. For instance, water decomposes to its elements H2 and O2. In polymers, degradation and crosslinking take place. In biopolymers, e.g., DNS strand breaks and other alterations occur. Such changes are to be avoided in some cases (radiation protection), however, in other cases they are used for technological purposes (radiation processing). This chapter introduces radiation chemistry by discussing the sources of ionizing radiation (radionuclide sources, machine sources), absorption of radiation energy, techniques used in radiation chemistry research, and methods of absorbed energy (absorbed dose) measurements. Radiation chemistry of different classes of inorganic (water and aqueous solutions, inorganic solids, ionic liquids (ILs)) and organic substances (hydrocarbons, halogenated compounds, polymers, and biomolecules) is discussed in concise form together with theoretical and experimental backgrounds. An essential part of the chapter is the introduction of radiation processing technologies in the fields of polymer chemistry, food processing, and sterilization. The application of radiation chemistry to nuclear technology and to protection of environment (flue gas treatment, wastewater treatment) is also discussed.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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…

  6. Chemistry in one dimension.

    PubMed

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

    2015-02-01

    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. PMID:25518906

  7. Atmospheric chemistry of the Z and E isomers of CF3CF=CHF; kinetics, mechanisms, and products of gas-phase reactions with Cl atoms, OH radicals, and O3.

    PubMed

    Hurley, M D; Ball, J C; Wallington, T J

    2007-10-01

    Smog chamber/FTIR techniques were used to study the atmospheric chemistry of the Z and E isomers of CF3CF=CHF, which we refer to as CF3CF=CHF(Z) and CF3CF=CHF(E). The rate constants k(Cl + CF3CF=CHF(Z)) = (4.36 +/- 0.48) x 10-11, k(OH + CF3CF=CHF(Z)) = (1.22 +/- 0.14) x 10-12, and k(O3 + CF3CF=CHF(Z)) = (1.45 +/- 0.15) x 10-21 cm3 molecule-1 s-1 were determined for the Z isomer of CF3CF=CHF in 700 Torr air diluent at 296 +/- 2 K. The rate constants k(Cl + CF3CF=CHF(E)) = (5.00 +/- 0.56) x 10-11, k(OH + CF3CF=CHF(E)) = (2.15 +/- 0.23) x 10-12, and k(O3 + CF3CF=CHF(E)) = (1.98 +/- 0.15) x 10-20 cm3 molecule-1 s-1 were determined for the E isomer of CF3CF=CHF in 700 Torr air diluent at 296 +/- 2 K. Both the Cl-atom and OH-radical-initiated atmospheric oxidation of CF3CF=CHF give CF3C(O)F and HC(O)F in molar yields indistinguishable from 100% for both the Z and E isomer. CF3CF=CHF(Z) has an atmospheric lifetime of approximately 18 days and a global warming potential (100 year time horizon) of approximately 6. CF3CF=CHF(E) has an atmospheric lifetime of approximately 10 days and a global warming potential (100 year time horizon) of approximately 3. CF3CF=CHF has a negligible global warming potential and will not make any significant contribution to radiative forcing of climate change. PMID:17850124

  8. 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…

  9. 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…

  10. 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…

  11. 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)

  12. 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…

  13. 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;…

  14. 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)

  15. 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)

  16. 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

  17. 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

  18. 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

  19. Chemistry of ferroelectric surfaces.

    PubMed

    Garrity, K; Kolpak, A M; Ismail-Beigi, S; Altman, E I

    2010-07-20

    It has been recognized since the 1950s that the polar and switchable nature of ferroelectric surfaces can potentially lead to polarization direction-dependent surface chemistry. Recent theoretical studies and advances in growing high quality epitaxial ferroelectric thin films have motivated a flurry of experimental studies aimed at creating surfaces with switchable adsorption and catalytic properties, as well as films whose polarization direction switches depending on the gas phase environment. This research news article briefly reviews the key findings of these studies. These include observations that the adsorption strengths, and in certain cases the activation energies for reactions, of polar molecules on the surfaces of ferroelectric materials are sensitive to the polarization direction. For bare ferroelectric surfaces, the magnitudes of these differences are not large, but are still comparable to the energy barrier required to switch the polarization of approximately 10 nm thick films. Highlights of a recent study where chemical switching of a thin film ferroelectric was demonstrated are presented. Attempts to use the ferroelectric polarization to influence the behavior of supported catalytic metals will also be described. It will be shown that the tendency of the metals to cluster into particles makes it difficult to alter the chemical properties of the metal surface, since it is separated from the ferroelectric by several layers of metal atoms. An alternate approach to increasing the reactivity of ferroelectric surfaces is suggested that involves modifying the surface with atoms that bind strongly to the surface and thus remain atomically dispersed.

  20. 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; reactions…

  1. (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.

  2. 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…

  3. 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

  4. Provocative Opinion: Descriptive Chemistry.

    ERIC Educational Resources Information Center

    Bent, Henry A.; Bent, Brian E.

    1987-01-01

    Discusses many of the distinctions that chemists draw between theoretical chemistry and descriptive chemistry, along with the tendency for chemical educators to adopt the type of chemistry they feel is most important to teach. Uses examples to argue that theoretical chemistry and descriptive chemistry are, at the bottom line, the same. (TW)

  5. 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…

  6. 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.

  7. New sources for the hot oxygen geocorona

    NASA Technical Reports Server (NTRS)

    Richards, P. G.; Hickey, M. P.; Torr, D. G.

    1994-01-01

    This paper investigates new sources of thermospheric non thermal (hot) oxygen due to exothermic reactions involving numerous minor (ion and neutral) and metastable species. Numerical calculations are performed for low altitude, daytime, winter conditions, with moderately high solar activity and low magnetic activity. Under these conditions we find that the quenching of metastable species are a significant source of hot oxygen, with kinetic energy production rates a factor of ten higher than those due to previously considered O2(+) and NO(+) dissociative recombination reactions. Some of the most significant new sources of hot oxygen are reactions involving quenching of O(+)((sup 2)D), O((sup 1)D), N((sup 2)D), O(+)((sup 2)P) and vibrationally excited N2 by atomic oxygen.

  8. 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.

  9. 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.

  10. 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).

  11. 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)

  12. 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…

  13. 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.

  14. 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

  15. 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)

  16. 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)

  17. 6. HOT AIR PORTION OF DAMPERS. Hot Springs National ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    6. HOT AIR PORTION OF DAMPERS. - Hot Springs National Park, Bathhouse Row, Lamar Bathhouse: Mechanical & Piping Systems, State Highway 7, 1 mile north of U.S. Highway 70, Hot Springs, Garland County, AR

  18. Hot fusion or cold fusion, best route to the SHEs?

    NASA Astrophysics Data System (ADS)

    Loveland, Walter

    2010-02-01

    Elements 102-113 have been synthesized using cold fusion reactions (Pb or Bi target nuclei, massive projectiles., E*=13 MeV, high survival probabilities,significant fusion hindrance). The production cross sections decrease with increasing ZCN with a cross section of 27 fb being measured for element 113. Synthesis of elements 102-108 by hot fusion reactions (actinide target nuclei, intermediate mass projectiles, E*=30-50 MeV, low survival probability, small fusion hindrance) shows decreasing production cross sections for Z=102 to Z=108 and then the cross sections level out at a few pb out to Z=118. Upper limit cross sections for the production of Z=120 nuclei in hot fusion reactions are ˜ 0.1 pb. How should one go forward to make nuclei with Z > 120 or with large neutron numbers, N ˜ 184? The cross section for the production of an evaporation residue, σEVR, is σEVR=σCNWsur where σCN is the complete fusion cross section and Wsur is the survival probability of the completely fused system. The complete fusion cross section can be written as σCN=∑J=0^J σcapture (Ec.m.,J)PCN( Ec.m.,J) where σcapture(Ec.m.,J) is the capture cross section and PCN is the probability that the projectile-target system will evolve inside the fission saddle point to form a completely fused system rather than reseparating (quasifission). I have used this formalism to make estimates of the best reactions to make new heavy nuclei using stable and radioactive beams. I conclude that stable beams offer the best opportunities to make new chemical elements and that radioactive beams offer new opportunities to make nuclei to study the atomic physics and chemistry of the heaviest elements. The radioactive beam reactions involve the light neutron-rich projectiles interacting in hot fusion reactions. If time permits I will also discuss recent experiments to make heavy nuclei using multi-nucleon transfer reactions. )

  19. Chemistry Research

    NASA Technical Reports Server (NTRS)

    1987-01-01

    Philip Morris research center scientists use a computer program called CECTRP, for Chemical Equilibrium Composition and Transport Properties, to gain insight into the behavior of atoms as they progress along the reaction pathway. Use of the program lets the scientist accurately predict the behavior of a given molecule or group of molecules. Computer generated data must be checked by laboratory experiment, but the use of CECTRP saves the researchers hundreds of hours of laboratory time since experiments must run only to validate the computer's prediction. Philip Morris estimates that had CECTRP not been available, at least two man years would have been required to develop a program to perform similar free energy calculations.

  20. Chemistry by the Case: Integrated Case Teaching and Team Learning.

    ERIC Educational Resources Information Center

    Dinan, Frank J.

    2002-01-01

    Introduces a chemistry unit, the "Evolving Atom", based on a problem-based learning approach designed for non-science majors. Uses the case method to address memory loss in mice during instruction. (Contains 14 references.) (YDS)

  1. 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)

  2. 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.

  3. Atomic collisions, inelastic indeed

    NASA Astrophysics Data System (ADS)

    Bercegol, Herve; Ferrando, Gwenael; Lehoucq, Roland

    At the turn of the twentieth century, a hot controversy raged about the ability of Boltzmann's framework to take care of irreversibility. The so-called Loschmidt's paradox progressively faded with time during the last hundred years, due to the predictive efficiency of statistical mechanics. However, one detail at the origin of the controversy - the elasticity of atomic collisions - was not completely challenged. A semi-classical treatment of two atoms interacting with the vacuum zero-point field permits to predict a friction force acting against the rotation of the pair of atoms. By its form and its level, the calculated torque is a candidate as a physical cause for diffusion of energy and angular momentum, and consequently for entropy growth. It opens the way to a revision of the standard vision of irreversibility. This presentation will focus on two points. First we will discuss the recent result in a broader context of electromagnetic interactions during microscopic collisions. The predicted friction phenomenon can be compared to and distinguished from Collision-Induced Emission and other types of inelastic collisions. Second we will investigate the consequences of the friction torque on calculated trajectories of colliding atoms, quantifying the generation of dimers linked by dispersion forces.

  4. 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.

  5. 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)

  6. Using Games To Teach Chemistry: An Annotated Bibliography.

    ERIC Educational Resources Information Center

    Russell, Jeanne V.

    1999-01-01

    Lists 67 published or marketed chemistry games organized under the following categories: (1) general knowledge; (2) elements and atomic structure; (3) nomenclature, formulas, and equation writing; (4) chemical reactions; (5) solutions and solubilities; (6) organic chemistry, and (8) miscellaneous subjects. Includes a brief description of each…

  7. The microbial role in hot spring silicification.

    PubMed

    Konhauser, Kurt O; Jones, Brian; Phoenix, Vernon R; Ferris, Grant; Renaut, Robin W

    2004-12-01

    Recent experimental studies indicate that microorganisms play a passive role in silicification. The organic functional groups that comprise the outer cell surfaces simply serve as heterogeneous nucleation sites for the adsorption of polymeric and/or colloidal silica, and because different microorganisms have different cell ultrastructural chemistry, species-specific patterns of silicification arise. Despite their templating role, they do not appear to increase the kinetics of silicification, and at the very most, they contribute only marginally to the magnitude of silicification. Instead, silicification is due to the polymerization of silica-supersaturated hydrothermal fluids upon discharge at the surface of the hot spring. Microorganisms do, however, impart an influence on the fabric of the siliceous sinters that form around hot spring vents. Different microorganisms have different growth patterns, that in turn, affect the style of laminations, the primary porosity of the sinter and the distribution of later-stage diagenetic cementation.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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)

  14. 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…

  15. 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.

  16. Atomic Calligraphy

    NASA Astrophysics Data System (ADS)

    Imboden, Matthias; Pardo, Flavio; Bolle, Cristian; Han, Han; Tareen, Ammar; Chang, Jackson; Christopher, Jason; Corman, Benjamin; Bishop, David

    2013-03-01

    Here we present a MEMS based method to fabricate devices with a small number of atoms. In standard semiconductor fabrication, a large amount of material is deposited, after which etching removes what is not wanted. This technique breaks down for structures that approach the single atom limit, as it is inconceivable to etch away all but one atom. What is needed is a bottom up method with single or near single atom precision. We demonstrate a MEMS device that enables nanometer position controlled deposition of gold atoms. A digitally driven plate is swept as a flux of gold atoms passes through an aperture. Appling voltages on four comb capacitors connected to the central plate by tethers enable nanometer lateral precision in the xy plane over 15x15 sq. microns. Typical MEMS structures have manufacturing resolutions on the order of a micron. Using a FIB it is possible to mill apertures as small as 10 nm in diameter. Assuming a low incident atomic flux, as well as an integrated MEMS based shutter with microsecond response time, it becomes possible to deposit single atoms. Due to their small size and low power consumption, such nano-printers can be mounted directly in a cryogenic system at ultrahigh vacuum to deposit clean quench condensed metallic structures.

  17. 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.

  18. 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

  19. Hot Accretion Disks Revisited

    NASA Astrophysics Data System (ADS)

    Bjoernsson, Gunnlaugur; Abramowicz, Marek A.; Chen, Xingming; Lasota, Jean-Pierre

    1996-08-01

    All previous studies of hot (Tp 1010-1012 K), optically thin accretion disks have neglected either the presence of e+ e- pairs or advective cooling. Thus all hot disk models constructed previously have not been self-consistent. In this paper we calculate local disk models including pair physics, relevant radiative processes in the hot plasma, and the effect of advective cooling. We use a modification of the Björnsson & Svensson mapping method. We find that the role of e+ e- pairs in the structure of hot, optically thin accretion disks is far less significant than was previously thought. The improved description of the radiation-matter interactions provided in the present paper modify the previously obtained values of the critical parameters characterizing advectively dominated flows.

  20. 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 ...

  1. Hot Oiling Spreadsheet

    1993-10-22

    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 can be distributed as a compiled spreadsheet.

  2. Communication: Test of quantum chemistry in vibrationally hot hydrogen molecules

    NASA Astrophysics Data System (ADS)

    Niu, M. L.; Salumbides, E. J.; Ubachs, W.

    2015-08-01

    Precision measurements are performed on highly excited vibrational quantum states of molecular hydrogen. The v = 12, J = 0 - 3 rovibrational levels of H2 ( X 1 Σg + ), lying only 2000 cm-1 below the first dissociation limit, were populated by photodissociation of H2S and their level energies were accurately determined by two-photon Doppler-free spectroscopy. A comparison between the experimental results on v = 12 level energies with the best ab initio calculations shows a good agreement, where the present experimental accuracy of 3.5 × 10-3 cm-1 is more precise than theory, hence providing a gateway to further test theoretical advances in this benchmark quantum system.

  3. Communication: Test of quantum chemistry in vibrationally hot hydrogen molecules.

    PubMed

    Niu, M L; Salumbides, E J; Ubachs, W

    2015-08-28

    Precision measurements are performed on highly excited vibrational quantum states of molecular hydrogen. The v = 12, J = 0 - 3 rovibrational levels of H2 (X(1)Σg (+)), lying only 2000 cm(-1) below the first dissociation limit, were populated by photodissociation of H2S and their level energies were accurately determined by two-photon Doppler-free spectroscopy. A comparison between the experimental results on v = 12 level energies with the best ab initio calculations shows a good agreement, where the present experimental accuracy of 3.5 × 10(-3) cm(-1) is more precise than theory, hence providing a gateway to further test theoretical advances in this benchmark quantum system.

  4. Magmatic and fragmentation controls on volcanic ash surface chemistry

    NASA Astrophysics Data System (ADS)

    Ayris, Paul M.; Diplas, Spyros; Damby, David E.; Hornby, Adrian J.; Cimarelli, Corrado; Delmelle, Pierre; Scheu, Bettina; Dingwell, Donald B.

    2016-04-01

    The chemical effects of silicate ash ejected by explosive volcanic eruptions on environmental systems are fundamentally mediated by ash particle surfaces. Ash surfaces are a composite product of magmatic properties and fragmentation mechanisms, as well as in-plume and atmospheric alteration processes acting upon those surfaces during and after the eruption. Recent attention has focused on the capacity of alteration processes to shape ash surfaces; most notably, several studies have utilised X-ray photoelectron spectroscopy (XPS), a technique probing the elemental composition and coordination state of atoms within the top 10 nm of ash surfaces, to identify patterns of elemental depletions and enrichments relative to bulk ash chemical composition. Under the presumption of surface and bulk equivalence, any disparities have been previously attributed to surface alteration processes, but the ubiquity of some depletions (e.g., Ca, Fe) across multiple ash studies, irrespective of eruptive origin, could suggest these to be features of the surface produced at the instant of magma fragmentation. To investigate this possibility further, we conducted rapid decompression experiments at different pressure conditions and at ambient and magmatic temperature on porous andesitic rocks. These experiments produced fragmented ash material untouched by secondary alteration, which were compared to particles produced by crushing of large clasts from the same experiments. We investigated a restricted size fraction (63-90 μm) from both fragmented and crushed materials, determining bulk chemistry and mineralogy via XRF, SEM-BSE and EPMA, and investigated the chemical composition of the ash surface by XPS. Analyses suggest that fragmentation under experimental conditions partitioned a greater fraction of plagioclase-rich particles into the selected size fraction, relative to particles produced by crushing. Trends in surface chemical composition in fragmented and crushed particles mirror that

  5. Geothermal hot water system

    SciTech Connect

    Dittell, E.W.

    1983-05-10

    Geothermal hot water system including a hot water tank and a warm water tank which are heated independently of each other by a close loop freon system. The closed loop freon system includes a main condenser which heats water for the warm water tank and a super-heated condenser which heats water for the hot water tank, and where the freon passes through a water evaporator which is heated by water such as from a well or other suitable source. The water evaporator in the closed loop freon system passes the water through but no environmental change to the water. An electrical circuit including aquastats in the warm water tank connected therethrough controls operation of the closed loop freon system including respective pumps on the super-heated condenser and main condenser for pumping water. Pumps pump water through the main condenser for the warm tank and through the super-heated condenser for the hot tank. The system provides for energy conservation in that the head pressure of the compressor is kept in the lower operating ranges as determined by the discharge flow of the main condenser which varies by the head pressure and temperature flow control which varies by temperature. The geothermal hot water system uses a least amount of energy in heating the water in the hot tank as well as the warm tank.

  6. Accurate theoretical chemistry with coupled pair models.

    PubMed

    Neese, Frank; Hansen, Andreas; Wennmohs, Frank; Grimme, Stefan

    2009-05-19

    Quantum chemistry has found its way into the everyday work of many experimental chemists. Calculations can predict the outcome of chemical reactions, afford insight into reaction mechanisms, and be used to interpret structure and bonding in molecules. Thus, contemporary theory offers tremendous opportunities in experimental chemical research. However, even with present-day computers and algorithms, we cannot solve the many particle Schrodinger equation exactly; inevitably some error is introduced in approximating the solutions of this equation. Thus, the accuracy of quantum chemical calculations is of critical importance. The affordable accuracy depends on molecular size and particularly on the total number of atoms: for orientation, ethanol has 9 atoms, aspirin 21 atoms, morphine 40 atoms, sildenafil 63 atoms, paclitaxel 113 atoms, insulin nearly 800 atoms, and quaternary hemoglobin almost 12,000 atoms. Currently, molecules with up to approximately 10 atoms can be very accurately studied by coupled cluster (CC) theory, approximately 100 atoms with second-order Møller-Plesset perturbation theory (MP2), approximately 1000 atoms with density functional theory (DFT), and beyond that number with semiempirical quantum chemistry and force-field methods. The overwhelming majority of present-day calculations in the 100-atom range use DFT. Although these methods have been very successful in quantum chemistry, they do not offer a well-defined hierarchy of calculations that allows one to systematically converge to the correct answer. Recently a number of rather spectacular failures of DFT methods have been found-even for seemingly simple systems such as hydrocarbons, fueling renewed interest in wave function-based methods that incorporate the relevant physics of electron correlation in a more systematic way. Thus, it would be highly desirable to fill the gap between 10 and 100 atoms with highly correlated ab initio methods. We have found that one of the earliest (and now

  7. 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.

  8. 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,…

  9. 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…

  10. 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.

  11. Advancing manufacturing through computational chemistry

    SciTech Connect

    Noid, D.W.; Sumpter, B.G.; Tuzun, R.E.

    1995-12-31

    The capabilities of nanotechnology and computational chemistry are reaching a point of convergence. New computer hardware and novel computational methods have created opportunities to test proposed nanometer-scale devices, investigate molecular manufacturing and model and predict properties of new materials. Experimental methods are also beginning to provide new capabilities that make the possibility of manufacturing various devices with atomic precision tangible. In this paper, we will discuss some of the novel computational methods we have used in molecular dynamics simulations of polymer processes, neural network predictions of new materials, and simulations of proposed nano-bearings and fluid dynamics in nano- sized devices.

  12. 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. PMID:27559417

  13. 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

  14. 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.

  15. 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)

  16. 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)

  17. 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)

  18. Historical Account And Branching To Rarefied Gas Dynamics Of Atomic and Molecular Beams : A Continuing And Fascinating Odyssey Commemorated By Nobel Prizes Awarded To 23 Laureates In Physics And Chemistry

    NASA Astrophysics Data System (ADS)

    Campargue, Roger

    2005-05-01

    This Historical Account derived in part from D. R. Herschbach was presented as an opening lecture of the Molecular Beam Session organized at the 24th International Symposium on Rarefied Gas Dynamics held in Bari, Italy, in July 2004. The emphasis is on the impressive results due to the molecular beam techniques in the last century. The first section summarizes the historical beam experiments performed by 14 Nobel Prize laureates having used the thermally effusive sources to establish the basic principles of Modern Physics. The second section is on the branching of Molecular Beams to Rarefied Gas Dynamics having permitted to investigate the physics of supersonic free jets and transform the molecular beam techniques. Finally, the last section relates the spectacular molecular beam experiments in helium free jet ultracooling, molecular spectroscopy, chemical reaction dynamics, clustering and modification of low density matter, and biomolecule mass spectrometry, rewarded by nine Nobel Prizes in Chemistry from 1986 to 2002.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. Pushing the Rainbow: Frontiers in Color Chemistry; Light and Color in Chemistry- Report on Two American Chemical Society Presidential Events

    NASA Astrophysics Data System (ADS)

    Gettys, Nancy S.

    1999-06-01

    On Sunday March 21, 1999, the 217th ACS National Meeting in Anaheim, California sponsored two Presidential Events, "Pushing the Rainbow: Frontiers in Color Chemistry" and "Light and Color in Chemistry". The events included 10 exceptional and very different speakers who explored various aspects of the importance of light and color in chemistry and chemistry teaching, in other sciences, and in art and human culture. Support for the events was provided by Research Corporation, General Atomics Sciences Education Foundation, Eastman Kodak Company, American Chemical Society, and University of Wisconsin-Madison Materials Research Science and Engineering Center for Nanostructured Materials and Interfaces.

  4. Hot Topic Talk 4

    NASA Astrophysics Data System (ADS)

    Hosten, Onur

    2016-05-01

    I will focus on our experiments with cold atoms highlighting some of the most recent developments in the prospect of using quantum entanglement to improve the precision of atomic and optical sensors. The first part of the talk will describe the generation of 20 dB spin-squeezed states of half a million 87Rb atoms inside of an optical cavity. The second part will describe the experimental demonstration of a new concept we call quantum phase magnification. The demonstrated 20 dB squeezing enables a 100-fold reduction in averaging time or a 100-fold reduction in atom numbers to achieve a given sensing precision. As part of this work we show an atomic clock operating 10 dB beyond the classical limit. Some of the states prepared in these experiments possess in excess of 680 atom entanglement. The quantum phase magnification experiment shows that detection noise levels below the standard quantum limit is in fact not a requirement to realize the benefits of the intrinsic sensitivity provided by exotic quantum states. Here, optical cavity-aided effective interactions between atoms magnify signals to-be-measured to levels that can easily be detected with a rather inefficient fluorescence imaging system. The method relaxes stringent detection requirements which have been the main bottleneck in quantum metrology experiments, and can also be implemented in physical platforms other than cold atom-cavity systems.

  5. Dispersants displace hot oiling

    SciTech Connect

    Wash, R.

    1984-02-01

    Laboratory experiments and field testing of dispersants in producing wells have resulted in development of 2 inexpensive paraffin dispersant packages with a broad application range, potential for significant savings over hot oiling, and that can be applied effectively by both continuous and batch treating techniques. The 2 dispersants are soluble in the carrier solvent (one soluble in oil, one in water); are able to readily disperse the wax during a hot flask test conducted in a laboratory; and leave the producing interval water wet. Field data on the 2 dispersants are tabulated, demonstrating their efficacy.

  6. 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.

  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. The Dawn of Chemistry

    NASA Astrophysics Data System (ADS)

    Galli, Daniele; Palla, Francesco

    2013-08-01

    Within the precise cosmological framework provided by the Λ-cold dark matter model and standard Big Bang nucleosynthesis, the chemical evolution of the pregalactic gas can now be followed with accuracy limited only by the uncertainties on the reaction rates. Starting during the recombination era, the formation of the first molecules and molecular ions containing hydrogen, deuterium, helium, and lithium was severely hindered by the low density of the expanding Universe, the intensity of the cosmic radiation field, and the absence of solid catalyzers. Molecular hydrogen and deuterated hydrogen, the most abundant species formed in the gas phase prior to structure formation, played a fundamental role in the cooling of the gas clouds that gave birth to the first stellar generation, contributing to determine the scale of fragmentation. Primordial molecules also interacted with the photons of the cosmic background via resonant scattering, absorption, and emission. In this review, we examine the current status of the chemistry of the early Universe and discuss the most relevant reactions for which uncertainties still exist from theory or laboratory experiments. The prospects for detecting spectral distortions or spatial anisotropies due to the first atoms and molecules are also addressed.

  9. 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.

  10. 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.

  11. 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.

  12. Actuated atomizer

    NASA Technical Reports Server (NTRS)

    Tilton, Charles (Inventor); Weiler, Jeff (Inventor); Palmer, Randall (Inventor); Appel, Philip (Inventor)

    2008-01-01

    An actuated atomizer is adapted for spray cooling or other applications wherein a well-developed, homogeneous and generally conical spray mist is required. The actuated atomizer includes an outer shell formed by an inner ring; an outer ring; an actuator insert and a cap. A nozzle framework is positioned within the actuator insert. A base of the nozzle framework defines swirl inlets, a swirl chamber and a swirl chamber. A nozzle insert defines a center inlet and feed ports. A spool is positioned within the coil housing, and carries the coil windings having a number of turns calculated to result in a magnetic field of sufficient strength to overcome the bias of the spring. A plunger moves in response to the magnetic field of the windings. A stop prevents the pintle from being withdrawn excessively. A pintle, positioned by the plunger, moves between first and second positions. In the first position, the head of the pintle blocks the discharge passage of the nozzle framework, thereby preventing the atomizer from discharging fluid. In the second position, the pintle is withdrawn from the swirl chamber, allowing the atomizer to release atomized fluid. A spring biases the pintle to block the discharge passage. The strength of the spring is overcome, however, by the magnetic field created by the windings positioned on the spool, which withdraws the plunger into the spool and further compresses the spring.

  13. 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)

  14. 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)

  15. 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)

  16. 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.

  17. 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)

  18. 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…

  19. 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,…

  20. 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.

  1. 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?

  2. 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?

  3. 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?

  4. 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.

  5. Hot-hole photodetectors

    NASA Astrophysics Data System (ADS)

    2014-05-01

    By injecting high-energy charge carriers (dubbed 'hot holes') into a semiconductor, scientists have succeeded in realizing photodetectors capable of detecting ultralong wavelengths. Unil Perera from Georgia State University in the USA explains how the devices work and how they can be improved.

  6. 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…

  7. Hot piston ring tests

    NASA Astrophysics Data System (ADS)

    Allen, David J.; Tomazic, William A.

    1987-12-01

    As part of the DOE/NASA Automotive Stirling Engine Project, tests were made at NASA Lewis Research Center to determine whether appendix gap losses could be reduced and Stirling engine performance increased by installing an additional piston ring near the top of each piston dome. An MTI-designed upgraded Mod I Automotive Stirling Engine was used. Unlike the conventional rings at the bottom of the piston, these hot rings operated in a high temperature environment (700 C). They were made of a high temperature alloy (Stellite 6B) and a high temperature solid lubricant coating (NASA Lewis-developed PS-200) was applied to the cylinder walls. Engine tests were run at 5, 10, and 15 MPa operating pressure over a range of operating speeds. Tests were run both with hot rings and without to provide a baseline for comparison. Minimum data to assess the potential of both the hot rings and high temperature low friction coating was obtained. Results indicated a slight increase in power and efficiency, an increase over and above the friction loss introduced by the hot rings. Seal leakage measurements showed a significant reduction. Wear on both rings and coating was low.

  8. 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…

  9. Hot piston ring tests

    NASA Technical Reports Server (NTRS)

    Allen, David J.; Tomazic, William A.

    1987-01-01

    As part of the DOE/NASA Automotive Stirling Engine Project, tests were made at NASA Lewis Research Center to determine whether appendix gap losses could be reduced and Stirling engine performance increased by installing an additional piston ring near the top of each piston dome. An MTI-designed upgraded Mod I Automotive Stirling Engine was used. Unlike the conventional rings at the bottom of the piston, these hot rings operated in a high temperature environment (700 C). They were made of a high temperature alloy (Stellite 6B) and a high temperature solid lubricant coating (NASA Lewis-developed PS-200) was applied to the cylinder walls. Engine tests were run at 5, 10, and 15 MPa operating pressure over a range of operating speeds. Tests were run both with hot rings and without to provide a baseline for comparison. Minimum data to assess the potential of both the hot rings and high temperature low friction coating was obtained. Results indicated a slight increase in power and efficiency, an increase over and above the friction loss introduced by the hot rings. Seal leakage measurements showed a significant reduction. Wear on both rings and coating was low.

  10. Horseshoe pitchers' hot hands.

    PubMed

    Smith, Gary

    2003-09-01

    Gilovich, Vallone, and Tversky's (1985) analysis of basketball data indicates that a player's chances of making a shot are not affected by the results of earlier shots. However, their basketball data do not control for several confounding influences. An analysis of horseshoe pitching, which does not have these defects, indicates that players do have modest hot and cold spells.

  11. 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…

  12. History of Chemistry.

    ERIC Educational Resources Information Center

    Servos, John W.

    1985-01-01

    Discusses the development of chemistry in the United States by considering: (1) chemistry as an evolving body of ideas/techniques, and as a set of conceptual resources affecting and affected by the development of other sciences; and (2) chemistry related to the history of American social and economic institutions and practices. (JN)

  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. Environmental Chemistry Activities.

    ERIC Educational Resources Information Center

    Jackland, Thomas; And Others

    The authors of this curriculum supplement believe in a laboratory approach to chemistry and express the feeling that environmental chemistry provides the students an opportunity to apply theoretical chemistry to important practical problems. There are eighteen activities presented, each accompanied with behavioral objectives, one or more suggested…

  15. 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)

  16. 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)

  17. 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…

  18. Estimates of Cl atom concentrations and hydrocarbon kinetic reactivity in surface air at Appledore Island, Maine (USA), during International Consortium for Atmospheric Research on Transport and Transformation/Chemistry of Halogens at the Isles of Shoals

    NASA Astrophysics Data System (ADS)

    Pszenny, Alexander A. P.; Fischer, Emily V.; Russo, Rachel S.; Sive, Barkley C.; Varner, Ruth K.

    2007-05-01

    Average hydroxyl radical (OH) to chlorine atom (Cl·) ratios ranging from 45 to 119 were determined from variability-lifetime relationships for selected nonmethane hydrocarbons (NMHC) in surface air from six different transport sectors arriving at Appledore Island, Maine, during July 2004. Multiplying these ratios by an assumed average OH concentration of 2.5 × 106 cm-3 yielded estimates of Cl· concentrations of 2.2 to 5.6 × 104 cm-3. Summed reaction rates of methane and more than 30 abundant NMHCs with OH and Cl· suggest that Cl· reactions increased the kinetic reactivity of hydrocarbons by 16% to 30% over that due to OH alone in air associated with the various transport sectors. Isoprene and other abundant biogenic alkenes were the most important hydrocarbon contributors after methane to overall kinetic reactivity.

  19. 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.

  20. Hot Tub Rash (Pseudomonas Folliculitis)

    MedlinePlus

    ... rash and rashes clinical tools newsletter | contact Share | Hot Tub Rash ( Pseudomonas Folliculitis) Information for adults A ... the skin and small pus-filled lesions. Overview Hot tub rash ( Pseudomonas folliculitis) is an infection of ...

  1. 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. PMID:26860297

  2. 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.

  3. Mechanical gate control for atom-by-atom cluster assembly with scanning probe microscopy.

    PubMed

    Sugimoto, Yoshiaki; Yurtsever, Ayhan; Hirayama, Naoki; Abe, Masayuki; Morita, Seizo

    2014-07-11

    Nanoclusters supported on substrates are of great importance in physics and chemistry as well as in technical applications, such as single-electron transistors and nanocatalysts. The properties of nanoclusters differ significantly from those of either the constituent atoms or the bulk solid, and are highly sensitive to size and chemical composition. Here we propose a novel atom gating technique to assemble various atom clusters composed of a defined number of atoms at room temperature. The present gating operation is based on the transfer of single diffusing atoms among nanospaces governed by gates, which can be opened in response to the chemical interaction force with a scanning probe microscope tip. This method provides an alternative way to create pre-designed atom clusters with different chemical compositions and to evaluate their chemical stabilities, thus enabling investigation into the influence that a single dopant atom incorporated into the host clusters has on a given cluster stability.

  4. Characterization of hot hydrogen-atom reactions by kinetic spectrography.

    NASA Technical Reports Server (NTRS)

    Tomalesky, R. E.; Sturm, J. E.

    1971-01-01

    The flash photolysis of hydrogen iodide in the presence of nitrous oxide, carbon dioxide, and water has been investigated by kinetic spectroscopy. Although the fraction of hydrogen iodide dissociated was very large, the only observable intermediate was imidogen. It was demonstrated that the rapid removal of imidogen and the apparent absence of hydroxyl radicals in each case is a result of the following two reactions, respectively: (1) NH + HI yields NH2 + I; and (2) OH + HI yields H2O + I.

  5. 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…

  6. Hot Billet Surface Qualifier

    SciTech Connect

    Tzyy-Shuh Chang

    2007-04-30

    OG Technologies, Inc. (OGT), developed a prototype of a Hot Billet Surface Qualifier (“Qualifier”) based on OGT’s patented HotEye™ technology and other proprietary imaging and computing technologies. The Qualifier demonstrated its ability of imaging the cast billets in line with high definition pictures, pictures capable of supporting the detection of surface anomalies on the billets. The detection will add the ability to simplify the subsequent process and to correct the surface quality issues in a much more timely and efficient manner. This is challenging due to the continuous casting environment, in which corrosive water, temperature, vibration, humidity, EMI and other unbearable factors exist. Each installation has the potential of 249,000 MMBTU in energy savings per year. This represents a cost reduction, reduced emissions, reduced water usage and reduced mill scale.

  7. 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

  8. Hot spring metagenomics.

    PubMed

    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

  9. Hot chocolate effect

    SciTech Connect

    Crawford, F.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.

  10. The hot chocolate effect

    SciTech Connect

    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 ten percent accuracy of the experiments.

  11. Surface morphology and chemistry of Prunus laurocerasus L. leaves: a study using X-ray photoelectron spectroscopy, time-of-flight secondary-ion mass spectrometry, atomic-force microscopy and scanning-electron microscopy.

    PubMed

    Perkins, Mark C; Roberts, Clive J; Briggs, David; Davies, Martyn C; Friedmann, Adrian; Hart, Clifford A; Bell, Gordon A

    2005-04-01

    The surface properties of the plant cuticle play a crucial role in plant-pathogen interactions and the retention and penetration of agriculturally important chemicals. This paper describes the use of X-ray photoelectron spectroscopy (XPS), time-of-flight secondary-ion mass spectrometry (ToF-SIMS), tapping-mode atomic force microscopy (TM-AFM) and scanning electron microscopy (SEM) to determine surface-specific chemical and material properties of the adaxial surface of Prunus laurocerasus L. leaves. XPS data, derived from the uppermost few nanometres (< 10 nm) of the leaf surface, were consistent with the wax components and functionality known to be present within the waxes. ToF-SIMS provided molecular speciation from the outermost monolayer of the leaf surface, indicating the importance of a family of acetates with chain lengths ranging from C20 to C34. The presence of alkanes with C29 and C31 chain lengths was also confirmed. SEM and TM-AFM topography images revealed a textured granular surface, while simultaneously recorded AFM phase images revealed heterogeneous material properties at the nanoscale. The relevance of these data to plant cuticle development, allelochemistry and agrochemical delivery is discussed.

  12. Surface chemistry of LiNi0.5Mn1.5O4 particles coated by Al2O3 using atomic layer deposition for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Kim, Jin Wook; Kim, Dong Hyeon; Oh, Dae Yang; Lee, Hyeyoun; Kim, Ji Hyun; Lee, Jae Hyun; Jung, Yoon Seok

    2015-01-01

    The effects of depositing ultrathin (<1 nm) Al2O3 coatings on LiNi0.5Mn1.5O4 (LNMO) particles using atomic layer deposition (ALD) are presented. Promising electrochemical performance of the Al2O3 ALD coated LNMO at 30 °C is demonstrated in not only significantly improved coulombic efficiency, cycle retention, and rate capability, but also in dramatically suppressed self-discharge and dissolution of transition metals. Combined analyses by electrochemical impedance spectroscopy, ex-situ X-ray photoelectron spectroscopy, and ex-situ time-of-flight secondary ion mass spectrometry reveal that the solid electrolyte interphase layer on the Al2O3 ALD coated LNMO is much thinner and contains fewer organic species than the one on the bare LNMO. This difference originates from the suppression of the side reaction at high voltage by the Al2O3 ALD protective coating. Also, fluorination of Al2O3 ALD layer upon repeated charge-discharge cycling is confirmed, and this can account for the capacity increases during the initial charge-discharge cycles. Finally, it is also demonstrated that a full LNMO/Li4Ti5O12 battery incorporating the Al2O3 ALD coated LNMO outperforms the one incorporating only bare LNMO.

  13. The ''hot'' patella

    SciTech Connect

    Kipper, M.S.; Alazraki, N.P.; Feiglin, D.H.

    1982-01-01

    Increased patellar uptake on bone scans is seen quite commonly but the possible or probable etiologies of this finding have not been previously well described. A review of 100 consecutive bone scans showed that the incidence of bilateral ''hot'' patellae is 15%. Identified etiologies include osteoarthritic degenerative disease (35%), fracture, possible metastatic disease, bursitis, Paget's disease, and osteomyelitis. The value of careful history, physical examination, and radiographs is stressed.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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).

  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. STIS CCD Hot Pixel Annealing

    NASA Astrophysics Data System (ADS)

    Hernandez, Svea

    2013-10-01

    This purpose of this activity is to repair radiation induced hot pixel damage to theSTIS CCD by warming the CCD to the ambient instrument temperature and annealing radiation damaged pixels. Radiation damage creates hot pixels in the STIS CCD Detector. Many of these hot pixels can be repaired by warming the CCD from its normal operating temperature near-83 C to the ambient instrument temperature { +5 C} for several hours. The number of hot pixels repaired is a function of annealing temperature. The effectiveness of the CCD hot pixel annealing process is assessed by measuring the dark current behavior before and after annealing and by searching for any window contamination effects.

  1. 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.

  2. 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

  3. Atomic force microscopy and x-ray photoelectron spectroscopy investigations of the morphology and chemistry of a PdCl{sub 2}/SnCl{sub 2} electroless plating catalysis system adsorbed onto shape memory alloy particles

    SciTech Connect

    Silvain, J.F.; Fouassier, O.; Lescaux, S.

    2004-11-01

    A study of the different stages of the electroless deposition of copper on micronic NiTi shape memory alloy particles activated by one-step and two-step methods has been conducted from both a chemical and a morphological point of view. The combination of x-ray photoelectron spectroscopy (XPS) measurements and atomic force microscopy (AFM) imaging has allowed detection of the distribution of the formed compounds and depth quantification and estimation of the surface topographic parameters. For the two-step method, at the sensitization of the early stages, it is observed by AFM that Sn is absorbed in form of clusters that tend to completely cover the surface and form a continuous film. XPS analysis have shown that Sn and Pd are first absorbed in form of oxide (SnO{sub 2} and PdO) and hydroxide [Sn(OH){sub 4}]. After the entire sensitization step, the NiTi substrate is covered with Sn-based compounds. After the sensitization and the activation steps the powder roughness increases. Behavior of the Sn and Pd growth for the one-step method does not follow the behavior found for the two-step method. Indeed, XPS analysis shows a three-dimensional (3D) growth of Pd clusters on top of a mixture of metallic tin, oxide (SnO) and hydroxide [Sn(OH){sub 2}]. These Pd clusters are covered with a thin layer of Pd-oxide contamination induced by the electroless process. The mean roughness for the one-step and two-step processes are equivalent. After copper deposition, the decrease of mean roughness is attributed to a filling of surface valleys, observed after the Sn-Pd coating step.

  4. Updated Atomic Weights: Time to Review Our Table

    DOE PAGESBeta

    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.

  5. 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…

  6. HOCO radical chemistry.

    PubMed

    Francisco, Joseph S; Muckerman, James T; Yu, Hua-Gen

    2010-12-21

    Free radicals are important species in atmospheric chemistry, combustion, plasma environments, interstellar clouds, and biochemistry. Therefore, researchers would like to understand the formation mechanism, structure, stability, reactivity, spectroscopy, and dynamics of these chemical species. However, due to the presence of one or more unpaired electrons, radicals are often very reactive and have short lifetimes, which makes it difficult to conduct experiments. The HOCO radical appears in the atmosphere as well as in combustion environments and plays an important role in the conversion of CO to CO(2). Through the interplay between theoretical and experimental investigations, researchers have only recently understood the chemical role of the HOCO radical. In this Account, we systematically describe the current state of knowledge of the HOCO radical based on recent theoretical and experimental studies. This radical's two stable conformers, trans- and cis-HOCO, have been identified by high-level ab initio calculations and experimental spectroscopy. trans-HOCO is more stable by approximately 1.8 kcal/mol. The heat of formation of HOCO (298 K) was determined to be -43.0 ± 0.5 kcal/mol, giving a potential well depth of 30.1 ± 0.5 kcal/mol relative to the asymptote of the reactants OH + CO. The HOCO radical is very reactive. In most reactions between the HOCO radical and atoms, the HOCO radical acts as a hydrogen donor to reaction partners. Generally, the hydrogen is transferred through the formation of an association intermediate, which then proceeds through a molecular elimination step to produce the reaction products. The reaction rates of HOCO with some small radicals fall in the range of 10(-11)-10(-10) cm(3) molecule(-1) s(-1). These results clearly illustrate important features in the reactivity of the HOCO radical with other molecules.

  7. Chemistry of fast electrons

    PubMed Central

    Maximoff, Sergey N.; Head-Gordon, Martin P.

    2009-01-01

    A chemicurrent is a flux of fast (kinetic energy ≳ 0.5−1.3 eV) metal electrons caused by moderately exothermic (1−3 eV) chemical reactions over high work function (4−6 eV) metal surfaces. In this report, the relation between chemicurrent and surface chemistry is elucidated with a combination of top-down phenomenology and bottom-up atomic-scale modeling. Examination of catalytic CO oxidation, an example which exhibits a chemicurrent, reveals 3 constituents of this relation: The localization of some conduction electrons to the surface via a reduction reaction, 0.5 O2 + δe− → Oδ− (Red); the delocalization of some surface electrons into a conduction band in an oxidation reaction, Oδ− + CO → CO2δ− → CO2 + δe− (Ox); and relaxation without charge transfer (Rel). Juxtaposition of Red, Ox, and Rel produces a daunting variety of metal electronic excitations, but only those that originate from CO2 reactive desorption are long-range and fast enough to dominate the chemicurrent. The chemicurrent yield depends on the universality class of the desorption process and the distribution of the desorption thresholds. This analysis implies a power-law relation with exponent 2.66 between the chemicurrent and the heat of adsorption, which is consistent with experimental findings for a range of systems. This picture also applies to other oxidation-reduction reactions over high work function metal surfaces. PMID:19561296

  8. 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

  9. 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…

  10. 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.

  11. 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.

  12. 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)

  13. 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)

  14. Not so hot "hot spots" in the oceanic mantle.

    PubMed

    Bonath, E

    1990-10-01

    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.

  15. Hot spots and hot moments of carbon and nitrogen dynamics in a semiarid riparian zone

    NASA Astrophysics Data System (ADS)

    Harms, Tamara K.; Grimm, Nancy B.

    2008-03-01

    Riparian ecosystems are characterized by spatial and temporal heterogeneity in physical and biological attributes, with consequences for nutrient cycling. We investigated the responses of carbon (C) and nitrogen (N) cycling processes to the hydrogeomorphic template in the riparian zone of the San Pedro River, Arizona, a large (catchment area ˜11,500 km2), free-flowing, semiarid river. Over an annual period we documented spatial and temporal patterns in soil, shallow groundwater, and stream nutrient chemistry as well as rates of N-transforming processes in soils of the surface (0-17 cm) and region of seasonal saturation (RoSS). A hot moment of N retention and removal was indicated by elevated rates of microbial processes during the summer monsoon season. At the same time, elevated C was observed in soil microbial biomass for both surface soils and soils in the RoSS. Analyses of C-use profiles for soil microbes, coupled with trends in stream and shallow-groundwater chemistry, further suggest that this hot moment of N removal was fueled by newly available, labile organic material. In a spatial context, patchiness in soil resources, microbial biomass, and potential denitrification were best explained by variation in microtopography; low-elevation landscape positions were hot spots of resource availability and microbial activity. Vertical heterogeneity also corresponded with variation in the factors influencing N transformation rates. Organic matter was more frequently a significant factor explaining N transformation rates in RoSS soils whereas soil water content was more often important in surface soils. Together, these patterns suggest that understanding the points on the hydrogeomorphic template, both in space and in time, that bring together water and labile organic matter will lead to greater predictive capability regarding C and N cycling in semiarid river-riparian corridors.

  16. 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.

  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 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.

  19. 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

  20. 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

  1. 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.

  2. Hot cell examination table

    SciTech Connect

    Gaal, P.S.; Ebjer, L.P.; Kareis, J.H.; Schlegel, G.L.

    1990-01-01

    This invention is comprised of 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.

  3. Semiclassical atom theory applied to solid-state physics

    NASA Astrophysics Data System (ADS)

    Constantin, Lucian A.; Terentjevs, Aleksandrs; Della Sala, Fabio; Cortona, Pietro; Fabiano, Eduardo

    2016-01-01

    Using the semiclassical neutral atom theory, we extend to fourth order the modified gradient expansion of the exchange energy of density functional theory. This expansion can be applied both to large atoms and solid-state problems. Moreover, we show that it can be employed to construct a simple and nonempirical generalized gradient approximation (GGA) exchange-correlation functional competitive with state-of-the-art GGAs for solids, but also reasonably accurate for large atoms and ordinary chemistry.

  4. Towards a chemistry of cohesion and adhesion

    NASA Astrophysics Data System (ADS)

    Eberhart, M. E.; Donovan, M. M.; MacLaren, J. M.; Clougherty, D. P.

    Modern chemistry frequently describes the structure and reaction dynamics of molecules in terms of the general principle of “competition for bonds”; consequently, bonding forms the basis of the language of chemistry. The actual models used to represent these bonds are frequently system specific. Organic reactions are described in terms of bonds based on pairs of atomic valence electrons. Reactions of inorganic coordination complexes are described in terms of bonds based on a molecular orbital representation. In analogy to those chemistries, a representation for a bond and bond strength, suitable for describing the cohesive and adhesive properties of all classes of materials, is introduced. This representation proves to yield an explanation for the observed cohesive properties of a specific class of materials (cleavage in bcc metals), and it also provides a framework for exploring and analyzing the more complex phenomena of cohesion and adhesion, such as environmentally-induced embrittlement. A complete chemistry of cohesion and adhesion will require the demonstration that the specific bonding model used can form the basis for consistent interpretations for a wealth of experimental phenomena beyond environmentally-induced embrittlement; thus, as presented, this model does not provide a complete chemistry of cohesion and adhesion, but does embody the first steps in that direction.

  5. Silicon chemistry in interstellar clouds

    NASA Technical Reports Server (NTRS)

    Langer, William D.; Glassgold, A. E.

    1990-01-01

    A new model of interstellar silicon chemistry is presented that explains the lack of SiO detections in cold clouds and contains an exponential temperature dependence for the SiO abundance. A key aspect of the model is the sensitivity of SiO production by neutral silicon reactions to density and temperature, which arises from the dependence of the rate coefficients on the population of the excited fine-structure levels of the silicon atom. As part of the explanation of the lack of SiO detections at low temperatures and densities, the model also emphasizes the small efficiencies of the production routes and the correspondingly long times needed to reach equilibrium. Measurements of the abundance of SiO, in conjunction with theory, can provide information on the physical properties of interstellar clouds such as the abundance of oxygen bearing molecules and the depletion of interstellar silicon.

  6. Synthetic chemistry with nitrous oxide.

    PubMed

    Severin, Kay

    2015-10-01

    This review article summarizes efforts to use nitrous oxide (N2O, 'laughing gas') as a reagent in synthetic chemistry. The focus will be on reactions which are carried out in homogeneous solution under (relatively) mild conditions. First, the utilization of N2O as an oxidant is discussed. Due to the low intrinsic reactivity of N2O, selective oxidation reactions of highly reactive compounds are possible. Furthermore, it is shown that transition metal complexes can be used to catalyze oxidation reactions, in some cases with high turnover numbers. In the final part of this overview, the utilization of N2O as a building block for more complex molecules is discussed. It is shown that N2O can be used as an N-atom donor for the synthesis of interesting organic molecules such as triazenes and azo dyes. PMID:26104268

  7. 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.

  8. 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.

  9. 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.

  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. Viewing minerals, atom by atom

    NASA Astrophysics Data System (ADS)

    Maggs, William Ward

    With state-of-the-art technology supported by scissors and bungy cords, Earth scientists are beginning to look at mineral surfaces and mineral-fluid interactions on an atomic scale.The instrument that can provide such a detailed view is the scanning tunneling microscope (STM), which made a great theoretical and practical splash when it was introduced in 1981 by Gerd Binnig and Heinrich Rohrer, physicists at IBM's laboratory in Zurich. They won a Nobel Prize in Physics for their work 5 years later.

  12. Opportunities in Chemistry.

    ERIC Educational Resources Information Center

    National Academy of Sciences - National Research Council, Washington, DC.

    Because of the changes occurring in the chemical sciences, a new survey of chemistry and its intellectual and economic impact was clearly needed. This report presents a current assessment of the status of chemistry and of the future opportunities in the field. This analysis contains: (1) an introductory chapter (establishing the need for the…

  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. 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…

  15. 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)

  16. Minicourses in Chemistry

    ERIC Educational Resources Information Center

    Lygre, D. G.; And Others

    1975-01-01

    Describes nine minicourses in chemistry designed to acquaint the non-science major with practical applications of chemistry in everyday experiences. Each course consists of daily classes for two weeks for one credit and is offered on a credit/no credit basis. (MLH)

  17. 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.

  18. Chemistry and Biology

    ERIC Educational Resources Information Center

    Wigston, David L.

    1970-01-01

    Discusses the relationship between chemisty and biology in the science curriculum. Points out the differences in perception of the disciplines, which the physical scientists favoring reductionism. Suggests that biology departments offer a special course for chemistry students, just as the chemistry departments have done for biology students.…

  19. 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)

  20. 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…

  1. Stratospheric chemistry and transport

    NASA Technical Reports Server (NTRS)

    Prather, Michael; Garcia, Maria M.

    1990-01-01

    A Chemical Tracer Model (CTM) that can use wind field data generated by the General Circulation Model (GCM) is developed to implement chemistry in the three dimensional GCM of the middle atmosphere. Initially, chemical tracers with simple first order losses such as N2O are used. Successive models are to incorporate more complex ozone chemistry.

  2. Career Options in Chemistry.

    ERIC Educational Resources Information Center

    Belloli, Robert C.

    1985-01-01

    Describes a credit/no credit course which focuses on career options in chemistry. The course (consisting of 15 one-hour seminar-type sessions) includes guest speakers for several sessions and an emphasis (in introductory sessions) on graduate school in chemistry, the chemical industry, resumes, and interviews. Also briefly describes an internship…

  3. 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…

  4. 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)

  5. 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.

  6. 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.

  7. Atomic magnetometer

    DOEpatents

    Schwindt, Peter; Johnson, Cort N.

    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.

  8. 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…

  9. 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,…

  10. 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...

  11. 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.

  12. 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)

  13. 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.

  14. 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.

  15. Response of hot nuclei

    SciTech Connect

    Broglia, R.A.

    1986-01-01

    The dipole giant resonance is reviewed, as it is the only vibration which has been experimentally identified in the decay of hot nuclei. The mechanism of exciting the resonance and the mode of the resonance are described. The methods used to calculate the vibrations from the shell model are discussed, including the Hartree-Fock approximation and random phase approximation. Nuclei formed by compound nuclear reactions, which possess high excitation energy and angular momentum, are considered. It is argued that the stability of the dipole may be used to advantage in the study of other properties of nuclei at high excitation. It is also considered possible that the discussion of the dipole giant resonance may be extended to the gamma decay of the isovector quadrupole vibration. 26 refs., 18 figs. (LEW)

  16. 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.

  17. 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.

  18. 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. PMID:25666065

  19. 'Seeing' atoms: the crystallographic revolution.

    PubMed

    Schwarzenbach, Dieter

    2014-01-01

    Laue's experiment in 1912 of the diffraction of X-rays by crystals led to one of the most influential discoveries in the history of science: the first determinations of crystal structures, NaCl and diamond in particular, by W. L. Bragg in 1913. For the first time, the visualisation of the structure of matter at the atomic level became possible. X-ray diffraction provided a sort of microscope with atomic resolution, atoms became observable physical objects and their relative positions in space could be seen. All branches of science concerned with matter, solid-state physics, chemistry, materials science, mineralogy and biology, could now be firmly anchored on the spatial arrangement of atoms. During the ensuing 100 years, structure determination by diffraction methods has matured into an indispensable method of chemical analysis. We trace the history of the development of 'small-structure' crystallography (excepting macromolecular structures) in Switzerland. Among the pioneers figure Peter Debye and Paul Scherrer with powder diffraction, and Paul Niggli and his Zurich School with space group symmetry and geometrical crystallography. Diffraction methods were applied early on by chemists at the Universities of Bern and Geneva. By the 1970s, X-ray crystallography was firmly established at most Swiss Universities, directed by full professors. Today, chemical analysis by structure determination is the task of service laboratories. However, the demand of diffraction methods to solve problems in all disciplines of science is still increasing and powerful radiation sources and detectors are being developed in Switzerland and worldwide. PMID:24801690

  20. Moderator Chemistry Program

    SciTech Connect

    Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

    1990-11-01

    Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department`s moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation.

  1. Moderator Chemistry Program

    SciTech Connect

    Dewitt, L.V.; Gibbs, A.; Lambert, D.P.; Bohrer, S.R.; Fanning, R.L.; Houston, M.W.; Stinson, S.L.; Deible, R.W.; Abdel-Khalik, S.I.

    1990-11-01

    Over the past fifteen months, the Systems Chemistry Group of the Reactor Engineering Department has undertaken a comprehensive study of the Department's moderator chemistry program at Savannah River Site (SRS). An internal review was developed to formalize and document this program. Objectives were as outlined in a mission statement and action plan. In addition to the mission statement and action plan, nine separate task reports have been issued during the course of this study. Each of these task reports is included in this document as a chapter. This document is an organized compilation of the individual reports issued by the Systems Chemistry Group in assessment of SRS moderator chemistry to determine if there were significant gaps in the program as ft existed in October, 1989. While these reviews found no significant gaps in that mode of operation, or any items that adversely affected safety, items were identified that could be improved. Many of the items have already been dear with or are in the process of completion under this Moderator Chemistry Program and other Reactor Restart programs. A complete list of the items of improvement found under this assessment is found in Chapter 9, along with a proposed time table for correcting remaining items that can be improved for the chemistry program of SRS reactors. An additional external review of the moderator chemistry processes, recommendations, and responses to/from the Reactor Corrosion Mitigation Committee is included as Appendix to this compilation.

  2. 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.

  3. Frontiers in analytical chemistry

    SciTech Connect

    Amato, I.

    1988-12-15

    Doing more with less was the modus operandi of R. Buckminster Fuller, the late science genius, and inventor of such things as the geodesic dome. In late September, chemists described their own version of this maxim--learning more chemistry from less material and in less time--in a symposium titled Frontiers in Analytical Chemistry at the 196th National Meeting of the American Chemical Society in Los Angeles. Symposium organizer Allen J. Bard of the University of Texas at Austin assembled six speakers, himself among them, to survey pretty widely different areas of analytical chemistry.

  4. Computational quantum chemistry website

    SciTech Connect

    1997-08-22

    This report contains the contents of a web page related to research on the development of quantum chemistry methods for computational thermochemistry and the application of quantum chemistry methods to problems in material chemistry and chemical sciences. Research programs highlighted include: Gaussian-2 theory; Density functional theory; Molecular sieve materials; Diamond thin-film growth from buckyball precursors; Electronic structure calculations on lithium polymer electrolytes; Long-distance electronic coupling in donor/acceptor molecules; and Computational studies of NOx reactions in radioactive waste storage.

  5. Seawater Chemistry Package

    2005-11-23

    SeaChem Seawater Chemistry package provides routines to calculate pH, carbonate chemistry, density, and other quantities for seawater, based on the latest community standards. The chemistry is adapted from fortran routines provided by the OCMIP3/NOCES project, details of which are available at http://www.ipsl.jussieu.fr/OCMIP/. The SeaChem package can generate Fortran subroutines as well as Python wrappers for those routines. Thus the same code can be used by Python or Fortran analysis packages and Fortran ocean models alike.

  6. 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…

  7. 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…

  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. Hot Topic Talk 2

    NASA Astrophysics Data System (ADS)

    Schmidt, Piet O.

    2016-05-01

    Precision spectroscopy is a driving force for the development of our physical understanding. However, only few atomic and molecular systems of interest have been accessible for precision spectroscopy in the past, since they miss a suitable transition for laser cooling and internal state detection. This restriction can be overcome in trapped ions through quantum logic spectroscopy. Coherent laser manipulation originally developed in the context of quantum information processing with trapped ions allow the combination of the special spectroscopic properties of one ion species (spectroscopy ion) with the excellent control over another species (logic or cooling ion). I will show how the internal state of a molecular ion can be detected non-destructively on a co-trapped cooling ion by implementing a quantum logic algorithm involving only coherent laser manipulation on the molecular ion. An optical dipole force tuned to near one of the molecule's resonances interacts with the molecular ion only if it is in a specific state. The resulting change in the motional state of a two-ion crystal formed by the molecular and atomic ion can be efficiently detected through the latter. More specifically, we detect if the MgH+ molecule is in the rotational state J = 1 in the vibrational and electronic ground state. We observe quantum jumps into and out of this state that are driven by ambient black-body radiation. We use the detuning dependence of the dipole force to perform spectroscopy on an electronic transition. This represents a first step towards extending the exquisite control achieved over selected atomic species to much more complex molecular ions.

  11. Silicon chemistry in interstellar clouds

    NASA Technical Reports Server (NTRS)

    Langer, William D.; Glassgold, A. E.

    1989-01-01

    Interstellar SiO was discovered shortly after CO but it has been detected mainly in high density and high temperature regions associated with outflow sources. A new model of interstellar silicon chemistry that explains the lack of SiO detections in cold clouds is presented which contains an exponential temperature dependence for the SiO abundance. A key aspect of the model is the sensitivity of SiO production by neutral silicon reactions to density and temperature, which arises from the dependence of the rate coefficients on the population of the excited fine structure levels of the silicon atom. This effect was originally pointed out in the context of neutral reactions of carbon and oxygen by Graff, who noted that the leading term in neutral atom-molecule interactions involves the quadrupole moment of the atom. Similar to the case of carbon, the requirement that Si has a quadrupole moment requires population of the J = 1 level, which lies 111K above the J = 0 ground state and has a critical density n(cr) equal to or greater than 10(6)/cu cm. The SiO abundance then has a temperature dependence proportional to exp(-111/T) and a quadratic density dependence for n less than n(cr). As part of the explanation of the lack of SiO detections at low temperatures and densities, this model also emphasizes the small efficiencies of the production routes and the correspondingly long times needed to reach equilibrium. Measurements of the abundance of SiO, in conjunction with theory, can provide information on the physical properties of interstellar clouds such as the abundances of oxygen bearing molecules and the depletion of interstellar silicon.

  12. 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

  13. Practical hot oiling and hot watering for paraffin control

    SciTech Connect

    Mansure, A.J.; Barker, K.M.

    1994-03-01

    One of the common oil-field wellbore problems is paraffin deposition. Even though hot oiling or hot watering is usually the first method tried for removing paraffin, few operators appreciate the limitations of ``hot oiling`` and the potential for the fluid to aggravate well problems and cause formation damage. Field tests have shown that the chemical and thermal processes that occur during ``hot oiling`` are very complex and that there are significant variations in practices among operators. Key issues include: (1) During a typical hot oiling job, a significant amount of the fluid injected into the well goes into the formation, and hence, particulates and chemicals in the fluid have the potential to damage the formation. (2) Hot oiling can vaporize oil in the tubing faster than the pump lifts oil. This interrupts paraffin removal from the well, and thus the wax is refined into harder deposits, goes deeper into the well, and can stick rods. These insights have been used to determine good ``hot oiling`` practices designed to maximize wax removal and minimize formation damage.

  14. 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

    2015-01-01

    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. PMID:25608225

  15. Interplay of weak interactions in the atom-by-atom condensation of xenon within quantum boxes

    PubMed Central

    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.

    2015-01-01

    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. PMID:25608225

  16. Interplay of weak interactions in the atom-by-atom condensation of xenon within quantum boxes

    NASA Astrophysics Data System (ADS)

    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.

    2015-01-01

    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.

  17. SERS on carbon chain segments: monitoring locally surface chemistry

    NASA Astrophysics Data System (ADS)

    Kudelski, Andrzej; Pettinger, Bruno

    2000-05-01

    Carbon films deposited (at elevated temperatures) on SERS active metal substrates show remarkable fluctuations in Raman spectra, if a Raman microscope is used. In subsequently recorded spectra distinct sets of intense, but rather narrow Raman lines appear, which are related to vibrations of corresponding carbonaceous groups. These spectral fluctuations evidence an enduring surface chemistry producing a variety of carbon chain configurations, which get temporarily in contact with metal sites, the so-called `hot spots', that exhibit extremely large surface enhancements.

  18. General Chemistry for Engineers.

    ERIC Educational Resources Information Center

    Kybett, B. D.

    1982-01-01

    Discusses the relationship between molecular structure, intermolecular forces, and tensile strengths of a polymer and suggests that this is a logical way to introduce polymers into a general chemistry course. (Author/JN)

  19. Chemistry for Nonscientists

    ERIC Educational Resources Information Center

    Weil, Thomas A.; And Others

    1974-01-01

    Discusses the case of DDT which can be introduced to nonscience students in a chemistry course, including the development of DDT, problems associated with its adverse effects, and curtailment of its use in our environments. (CC)

  20. Chemistry for Kids.

    ERIC Educational Resources Information Center

    Sato, Sanae; Majoros, Bela

    1988-01-01

    Reports two methods for interesting children in chemistry. Describes a method for producing large soap bubbles and films for study. Examines the use of simple stories to explain common chemical concepts with example given. Lists titles of available stories. (ML)