WorldWideScience

Sample records for chemically heterogeneous surfaces

  1. Using subdivision surfaces and adaptive surface simplification algorithms for modeling chemical heterogeneities in geophysical flows

    Science.gov (United States)

    Schmalzl, JöRg; Loddoch, Alexander

    2003-09-01

    We present a new method for investigating the transport of an active chemical component in a convective flow. We apply a three-dimensional front tracking method using a triangular mesh. For the refinement of the mesh we use subdivision surfaces which have been developed over the last decade primarily in the field of computer graphics. We present two different subdivision schemes and discuss their applicability to problems related to fluid dynamics. For adaptive refinement we propose a weight function based on the length of triangle edge and the sum of the angles of the triangle formed with neighboring triangles. In order to remove excess triangles we apply an adaptive surface simplification method based on quadric error metrics. We test these schemes by advecting a blob of passive material in a steady state flow in which the total volume is well preserved over a long time. Since for time-dependent flows the number of triangles may increase exponentially in time we propose the use of a subdivision scheme with diffusive properties in order to remove the small scale features of the chemical field. By doing so we are able to follow the evolution of a heavy chemical component in a vigorously convecting field. This calculation is aimed at the fate of a heavy layer at the Earth's core-mantle boundary. Since the viscosity variation with temperature is of key importance we also present a calculation with a strongly temperature-dependent viscosity.

  2. A Cassie-Like Law Using Triple Phase Boundary Line Fractions for Faceted Droplets on Chemically Heterogeneous Surfaces

    DEFF Research Database (Denmark)

    Larsen, Simon Tylsgaard; Taboryski, Rafael Jozef

    2009-01-01

    We present experimental contact angle data for surfaces, which were surface-engineered with a hydrophobic micropattern of hexagonal geometry. The chemically heterogeneous surface of the same hexagonal pattern of defects resulted in faceted droplets of hexagonal shape. When measuring the advancing...... contact angles with a viewing position aligned parallel to rows of defects, we found that an area averaged Cassie-law failed in describing the data. By replacing the area fractions by line fractions of the triple phase boundary Line segments in the Cassie equation, we found excellent agreement with data....

  3. Effect of chemical heterogeneity of biodegradable polymers on surface energy: A static contact angle analysis of polyester model films

    Energy Technology Data Exchange (ETDEWEB)

    Belibel, R.; Avramoglou, T. [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Garcia, A. [CNRS UPR 3407, Laboratoire des Sciences des Procédés et des Matériau, Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Barbaud, C. [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Mora, L., E-mail: Laurence.mora@univ-paris13.fr [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France)

    2016-02-01

    Biodegradable and bioassimilable poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) derivatives were synthesized and characterized in order to develop a new coating for coronary endoprosthesis enabling the reduction of restenosis. The PDMMLA was chemically modified to form different custom groups in its side chain. Three side groups were chosen: the hexyl group for its hydrophobic nature, the carboxylic acid and alcohol groups for their acid and neutral hydrophilic character, respectively. The sessile drop method was applied to characterize the wettability of biodegradable polymer film coatings. Surface energy and components were calculated. The van Oss approach helped reach not only the dispersive and polar acid–base components of surface energy but also acid and basic components. Surface topography was quantified by atomic force microscopy (AFM) and subnanometer average values of roughness (Ra) were obtained for all the analyzed surfaces. Thus, roughness was considered to have a negligible effect on wettability measurements. In contrast, heterogeneous surfaces had to be corrected by the Cassie–Baxter equation for copolymers (10/90, 20/80 and 30/70). The impact of this correction was quantified for all the wettability parameters. Very high relative corrections (%) were found, reaching 100% for energies and 30% for contact angles. - Highlights: • We develop different polymers with various chemical compositions. • Wettability properties were calculated using Cassie corrected contact angles. • Percentage of acid groups in polymers is directly correlated to acid part of SFE. • Cassie corrections are necessary for heterogeneous polymers.

  4. Self-consistent nonlocal feedback theory for electrocatalytic swimmers with heterogeneous surface chemical kinetics

    Science.gov (United States)

    Nourhani, Amir; Crespi, Vincent H.; Lammert, Paul E.

    2015-06-01

    We present a self-consistent nonlocal feedback theory for the phoretic propulsion mechanisms of electrocatalytic micromotors or nanomotors. These swimmers, such as bimetallic platinum and gold rods catalyzing decomposition of hydrogen peroxide in aqueous solution, have received considerable theoretical attention. In contrast, the heterogeneous electrochemical processes with nonlocal feedback that are the actual "engines" of such motors are relatively neglected. We present a flexible approach to these processes using bias potential as a control parameter field and a locally-open-circuit reference state, carried through in detail for a spherical motor. While the phenomenological flavor makes meaningful contact with experiment easier, required inputs can also conceivably come from, e.g., Frumkin-Butler-Volmer kinetics. Previously obtained results are recovered in the weak-heterogeneity limit and improved small-basis approximations tailored to structural heterogeneity are presented. Under the assumption of weak inhomogeneity, a scaling form is deduced for motor speed as a function of fuel concentration and swimmer size. We argue that this form should be robust and demonstrate a good fit to experimental data.

  5. Heterogeneous chemical reaction of chlorine nitrate and water on sulfuric-acid surfaces at room temperature

    Science.gov (United States)

    Rossi, Michel J.; Malhotra, Ripudaman; Golden, David M.

    1987-01-01

    The use of H2SO4 as a catalyst for aerosol production of chlorine compounds in the chemistry of the antarctic stratosphere was investigated in laboratory trials. The experiments involved the gas surface collision rate of a molecule on a given surface during its residence time in a Knudsen cell in molecular flow conditions. Chlorine nitrate gas was made to flow through a chamber exposed to a container holding a 95.6 pct H2SO4 solution. Gas leaving the cell was scanned with a mass spectrometer. A sticking coefficient of 0.00032 was found for the chlorine nitrate, a value five times that previously reported.

  6. Do goethite surfaces really control the transport and retention of multi-walled carbon nanotubes in chemically heterogeneous porous media?

    Science.gov (United States)

    Transport and retention behavior of multiwalled carbon nanotubes (MWCNTs) was studied in mixtures of negatively charged quartz sand (QS) and positively charged goethite-coated sand (GQS) to assess the role of chemical heterogeneity. The linear equilibrium sorption model provided a good description o...

  7. Untangling the Chemical Evolution of Titan's Atmosphere and Surface -- From Homogeneous to Heterogeneous Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Kaiser, Ralf I.; Maksyutenko, Pavlo; Ennis, Courtney; Zhang, Fangtong; Gu, Xibin; Krishtal, Sergey P.; Mebel, Alexander M.; Kostko, Oleg; Ahmed, Musahid

    2010-03-16

    The arrival of the Cassini-Huygens probe at Saturn's moon Titan - the only Solar System body besides Earth and Venus with a solid surface and a thick atmosphere with a pressure of 1.4 atm at surface level - in 2004 opened up a new chapter in the history of Solar System exploration. The mission revealed Titan as a world with striking Earth-like landscapes involving hydrocarbon lakes and seas as well as sand dunes and lava-like features interspersed with craters and icy mountains of hitherto unknown chemical composition. The discovery of a dynamic atmosphere and active weather system illustrates further the similarities between Titan and Earth. The aerosol-based haze layers, which give Titan its orange-brownish color, are not only Titan's most prominent optically visible features, but also play a crucial role in determining Titan's thermal structure and chemistry. These smog-like haze layers are thought to be very similar to those that were present in Earth's atmosphere before life developed more than 3.8 billion years ago, absorbing the destructive ultraviolet radiation from the Sun, thus acting as 'prebiotic ozone' to preserve astrobiologically important molecules on Titan. Compared to Earth, Titan's low surface temperature of 94 K and the absence of liquid water preclude the evolution of biological chemistry as we know it. Exactly because of these low temperatures, Titan provides us with a unique prebiotic 'atmospheric laboratory' yielding vital clues - at the frozen stage - on the likely chemical composition of the atmosphere of the primitive Earth. However, the underlying chemical processes, which initiate the haze formation from simple molecules, have been not understood well to date.

  8. Facile spray-coating process for the fabrication of tunable adhesive superhydrophobic surfaces with heterogeneous chemical compositions used for selective transportation of microdroplets with different volumes.

    Science.gov (United States)

    Li, Jian; Jing, Zhijiao; Zha, Fei; Yang, Yaoxia; Wang, Qingtao; Lei, Ziqiang

    2014-06-11

    In this paper, tunable adhesive superhydrophobic ZnO surfaces have been fabricated successfully by spraying ZnO nanoparticle (NP) suspensions onto desired substrates. We regulate the spray-coating process by changing the mass percentage of hydrophobic ZnO NPs (which were achieved by modifying hydrophilic ZnO NPs with stearic acid) in the hydrophobic/hydrophilic ZnO NP mixtures to control heterogeneous chemical composition of the ZnO surfaces. Thus, the water adhesion on the same superhydrophobic ZnO surface could be effectively tuned by controlling the surface chemical composition without altering the surface morphology. Compared with the conventional tunable adhesive superhydrophobic surfaces, on which there were only three different water sliding angle values: lower than 10°, 90° (the water droplet is firmly pinned on the surface at any tilted angles), and the value between the two ones, the water adhesion on the superhydrophobic ZnO surfaces has been tuned effectively, on which the sliding angle is controlled from 2 ± 1° to 9 ± 1°, 21 ± 2°, 39 ± 3°, and 90°. Accordingly, the adhesive force can be adjusted from extremely low (∼2.5 μN) to very high (∼111.6 μN). On the basis of the different adhesive forces of the tunable adhesive superhydrophobic surfaces, the selective transportation of microdroplets with different volumes was achieved, which has never been reported before. In addition, we demonstrated a proof of selective transportation of microdroplets with different volumes for application in the droplet-based microreactors via our tunable adhesive superhydrophobic surfaces for the quantitative detection of AgNO3 and NaOH. The results reported herein realize the selective transportation of microdroplets with different volumes and we believe that this method would potentially be used in many important applications, such as selective water droplet transportation, biomolecular quantitative detection and droplet-based biodetection.

  9. Surface science and heterogeneous catalysis

    International Nuclear Information System (INIS)

    Somorjai, G.A.

    1980-05-01

    The catalytic reactions studied include hydrocarbon conversion over platinum, the transition metal-catalyzed hydrogenation of carbon monoxide, and the photocatalyzed dissociation of water over oxide surfaces. The method of combined surface science and catalytic studies is similar to those used in synthetic organic chemistry. The single-crystal models for the working catalyst are compared with real catalysts by comparing the rates of cyclopropane ring opening on platinum and the hydrogenation of carbon monoxide on rhodium single crystal surface with those on practical commercial catalyst systems. Excellent agreement was obtained for these reactions. This document reviews what was learned about heterogeneous catalysis from these surface science approaches over the past 15 years and present models of the active catalyst surface

  10. Dynamic contact angle cycling homogenizes heterogeneous surfaces.

    Science.gov (United States)

    Belibel, R; Barbaud, C; Mora, L

    2016-12-01

    In order to reduce restenosis, the necessity to develop the appropriate coating material of metallic stent is a challenge for biomedicine and scientific research over the past decade. Therefore, biodegradable copolymers of poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) were prepared in order to develop a new coating exhibiting different custom groups in its side chain and being able to carry a drug. This material will be in direct contact with cells and blood. It consists of carboxylic acid and hexylic groups used for hydrophilic and hydrophobic character, respectively. The study of this material wettability and dynamic surface properties is of importance due to the influence of the chemistry and the potential motility of these chemical groups on cell adhesion and polymer kinetic hydrolysis. Cassie theory was used for the theoretical correction of contact angles of these chemical heterogeneous surfaces coatings. Dynamic Surface Analysis was used as practical homogenizer of chemical heterogeneous surfaces by cycling during many cycles in water. In this work, we confirmed that, unlike receding contact angle, advancing contact angle is influenced by the difference of only 10% of acidic groups (%A) in side-chain of polymers. It linearly decreases with increasing acidity percentage. Hysteresis (H) is also a sensitive parameter which is discussed in this paper. Finally, we conclude that cycling provides real information, thus avoiding theoretical Cassie correction. H(10)is the most sensible parameter to %A. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Surface fluxes in heterogeneous landscape

    Energy Technology Data Exchange (ETDEWEB)

    Bay Hasager, C

    1997-01-01

    The surface fluxes in homogeneous landscapes are calculated by similarity scaling principles. The methodology is well establish. In heterogeneous landscapes with spatial changes in the micro scale range, i e from 100 m to 10 km, advective effects are significant. The present work focus on these effects in an agricultural countryside typical for the midlatitudes. Meteorological and satellite data from a highly heterogeneous landscape in the Rhine Valley, Germany was collected in the large-scale field experiment TRACT (Transport of pollutants over complex terrain) in 1992. Classified satellite images, Landsat TM and ERS SAR, are used as basis for roughness maps. The roughnesses were measured at meteorological masts in the various cover classes and assigned pixel by pixel to the images. The roughness maps are aggregated, i e spatially averaged, into so-called effective roughness lengths. This calculation is performed by a micro scale aggregation model. The model solves the linearized atmospheric flow equations by a numerical (Fast Fourier Transform) method. This model also calculate maps of friction velocity and momentum flux pixel wise in heterogeneous landscapes. It is indicated how the aggregation methodology can be used to calculate the heat fluxes based on the relevant satellite data i e temperature and soil moisture information. (au) 10 tabs., 49 ills., 223 refs.

  12. Flows and chemical reactions in heterogeneous mixtures

    CERN Document Server

    Prud'homme, Roger

    2014-01-01

    This book - a sequel of previous publications 'Flows and Chemical Reactions' and 'Chemical Reactions in Flows and Homogeneous Mixtures' - is devoted to flows with chemical reactions in heterogeneous environments.  Heterogeneous media in this volume include interfaces and lines. They may be the site of radiation. Each type of flow is the subject of a chapter in this volume. We consider first, in Chapter 1, the question of the generation of environments biphasic individuals: dusty gas, mist, bubble flow.  Chapter 2 is devoted to the study at the mesoscopic scale: particle-fluid exchange of mom

  13. Surface science of single-site heterogeneous olefin polymerization catalysts

    OpenAIRE

    Kim, Seong H.; Somorjai, Gabor A.

    2006-01-01

    This article reviews the surface science of the heterogeneous olefin polymerization catalysts. The specific focus is on how to prepare and characterize stereochemically specific heterogeneous model catalysts for the Ziegler–Natta polymerization. Under clean, ultra-high vacuum conditions, low-energy electron irradiation during the chemical vapor deposition of model Ziegler–Natta catalysts can be used to create a “single-site” catalyst film with a surface structure that produces only isotactic ...

  14. Adsorption of gases on heterogeneous surfaces

    CERN Document Server

    Rudzinski, W

    1991-01-01

    All real solid surfaces are heterogeneous to a greater or lesser extent and this book provides a broad yet detailed survey of the present state of gas adsorption. Coverage is comprehensive and extends from basic principles to computer simulation of adsorption. Underlying concepts are clarified and the strengths and weaknesses of the various methods described are discussed.Key Features* Adsorption isotherm equations for various types of heterogeneous solid surfaces* Methods of determining the nature of surface heterogeneity and porosity from experimental data* Studies of pha

  15. Thermal inertia and surface heterogeneity on Mars

    Science.gov (United States)

    Putzig, Nathaniel E.

    Thermal inertia derived from temperature observations is critical for understanding surface geology and assessing potential landing sites on Mars. Derivation methods generally assume uniform surface properties for any given observation. Consequently, horizontal heterogeneity and near-surface layering may yield apparent thermal inertia that varies with time of day and season. To evaluate the effects of horizontal heterogeneity, I modeled the thermal behavior of surfaces containing idealized material mixtures (dust, sand, duricrust, and rocks) and differing slope facets. These surfaces exhibit diurnal and seasonal variability in apparent thermal inertia of several 100 tiu, 1 even for components with moderately contrasting thermal properties. To isolate surface effects on the derived thermal inertia of Mars, I mapped inter- annual and seasonal changes in albedo and atmospheric dust opacity, accounting for their effects in a modified derivation algorithm. Global analysis of three Mars years of MGS-TES 2 data reveals diurnal and seasonal variations of ~200 tiu in the mid-latitudes and 600 tiu or greater in the polar regions. Correlation of TES results and modeled apparent thermal inertia of heterogeneous surfaces indicates pervasive surface heterogeneity on Mars. At TES resolution, the near-surface thermal response is broadly dominated by layering and is consistent with the presence of duricrusts over fines in the mid-latitudes and dry soils over ground ice in the polar regions. Horizontal surface mixtures also play a role and may dominate at higher resolution. In general, thermal inertia obtained from single observations or annually averaged maps may misrepresent surface properties. In lieu of a robust heterogeneous- surface derivation technique, repeat coverage can be used together with forward-modeling results to constrain the near-surface heterogeneity of Mars. 1 tiu == J m -2 K -1 s - 2 Mars Global Surveyor Thermal Emission Spectrometer

  16. Density functional theory in surface science and heterogeneous catalysis

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet; Scheffler, M.; Toulhoat, H.

    2006-01-01

    Solid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large...

  17. Characterizing heterogeneous dynamics at hydrated electrode surfaces

    Science.gov (United States)

    Willard, Adam P.; Limmer, David T.; Madden, Paul A.; Chandler, David

    2013-05-01

    In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

  18. Characterizing heterogeneous dynamics at hydrated electrode surfaces.

    Science.gov (United States)

    Willard, Adam P; Limmer, David T; Madden, Paul A; Chandler, David

    2013-05-14

    In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

  19. Surface decontamination by heterogeneous foams and suspensions

    International Nuclear Information System (INIS)

    Polyakov, A.; Poluektov, P.; Emets, E.; Kuchumov, V.; Rybakov, K.; Teterin, E.

    2000-01-01

    A variety of methods was used to investigate the surface of stainless steel as delivered or treated (electrochemically polished, machine ground). Micro X-ray spectral analysis evidenced a uniform distribution of alloying elements. Auger spectroscopy revealed the layer-by-layer composition by elements and the thickness of the superficial oxide film. The distribution of heterogeneous uranium dioxide powders on the stainless steel surface was examined by microprobe analysis (using Comebax). In the order of increasing contamination by uranium dioxide, the surfaces can be arranged as: untreated - polished - ground. The behaviour of hydrogen peroxide in alkaline solutions was studied by spectrophotometry and laser analysis. Decontamination of stainless steel surfaces from UO 2 by microgaseous emulsions in alkaline media with surfactants present was tested. The decontamination factor was determined as a function of the size and volume of gas bubbles. It was shown to rise with increasing gas content. (author)

  20. Communicating why land surface heterogeneity matters

    Science.gov (United States)

    Tague, C.; Burke, W.; Bart, R. R.; Turpin, E.; Wood, T.; Gordon, D.

    2017-12-01

    As hydrologic scientists, we know that land surface heterogeneity can have nuanced and sometimes dramatic impacts on the water cycle. Land surface characteristics, including the structure and composition of vegetation and soil storage and drainage properties, alter how incoming precipitation is translated into streamflow and evapotranspiration. Land surface heterogeneity can explain why this partitioning of incoming precipitation cannot always be computed by a simple water budget calculation. We also know that land surface characteristics are dynamic - vegetation grows and changes with fire, disease and human actions and these changes will alter the partitioning of water - how much so, however depends itself on other site characteristics - soil water storage and the timing and magnitude of precipitation. This complex impact of space-time dynamics on the water cycle is something we need to effectively communicate to non-experts. For example, we may want to explain why sometimes forest management practices increase water availability but sometimes they don't - or why the impacts of urbanization or fire are location specific. If we do not communicate these dependencies we risk over-simplifying and eroding scientific credibility when observed effects don't match simple generalizations. On the other hand excessive detail can overwhelm and disengage audiences. So how do we help different communities public, private landowners, other scientists, NGOs, governments to better understand the role of space-time heterogeneity. To address this issue, we present some results from ongoing work that looks at the impact of fuel treatment of forest ecohydrology. This work stem from a collaboration between an ecohydrologic modeling team, social-scientists, a visual artist and compute graphics students. We use a coupled model, validated with field measurements, to show why spatial heterogeneity matters for understanding the impact of fuel treatments on the water cycle for the Sierra

  1. Chemical heterogeneities in the interior of terrestrial bodies

    Science.gov (United States)

    Plesa, Ana-Catalina; Maurice, Maxime; Tosi, Nicola; Breuer, Doris

    2016-04-01

    Mantle chemical heterogeneities that can strongly influence the interior dynamics have been inferred for all terrestrial bodies of the Solar System and range from local to global scale. Seismic data for the Earth, differences in surface mineral compositions observed in data sets from space missions, and isotopic variations identified in laboratory analyses of meteorites or samples indicate chemically heterogeneous systems. One way to generate large scale geochemical heterogeneities is through the fractional crystallization of a liquid magma ocean. The large amount of energy available in the early stages of planetary evolution can cause melting of a significant part or perhaps even the entire mantle of a terrestrial body resulting in a liquid magma ocean. Assuming fractional crystallization, magma ocean solidification proceeds from the core-mantle boundary to the surface where dense cumulates tend to form due to iron enrichment in the evolving liquid. This process leads to a gravitationally unstable mantle, which is prone to overturn. Following cumulate overturn, a stable stratification may be reached that prevents efficient material transport. As a consequence, mantle reservoirs may be kept separate, possibly for the entire thermo-chemical evolution of a terrestrial body. Scenarios assuming fractional crystallization of a liquid magma ocean have been suggested to explain lavas with distinct composition on Mercury's surface [1], the generation of the Moon's mare basalts by sampling a reservoir consisting of overturned ilmenite-bearing cumulates [2], and the preservation of Mars' geochemical reservoirs as inferred by isotopic analysis of the SNC meteorites [3]. However, recent studies have shown that the style of the overturn as well as the subsequent density stratification are of extreme importance for the subsequent thermo-chemical evolution of a planetary body and may have a major impact on the later surface tectonics and volcanic history. The rapid formation of a

  2. Irreversible adsorption of particles on heterogeneous surfaces.

    Science.gov (United States)

    Adamczyk, Zbigniew; Jaszczółt, Katarzyna; Michna, Aneta; Siwek, Barbara; Szyk-Warszyńska, Lilianna; Zembala, Maria

    2005-12-30

    Methods of theoretical and experimental evaluation of irreversible adsorption of particles, e.g., colloids and globular proteins at heterogeneous surfaces were reviewed. The theoretical models were based on the generalized random sequential adsorption (RSA) approach. Within the scope of these models, localized adsorption of particles occurring as a result of short-ranged attractive interactions with discrete adsorption sites was analyzed. Monte-Carlo type simulations performed according to this model enabled one to determine the initial flux, adsorption kinetics, jamming coverage and the structure of the particle monolayer as a function of the site coverage and the particle/site size ratio, denoted by lambda. It was revealed that the initial flux increased significantly with the site coverage theta(s) and the lambda parameter. This behavior was quantitatively interpreted in terms of the scaled particle theory. It also was demonstrated that particle adsorption kinetics and the jamming coverage increased significantly, at fixed site coverage, when the lambda parameter increased. Practically, for alpha = lambda2theta(s) > 1 the jamming coverage at the heterogeneous surfaces attained the value pertinent to continuous surfaces. The results obtained prove unequivocally that spherically shaped sites were more efficient in binding particles in comparison with disk-shaped sites. It also was predicted that for particle size ratio lambda charge. Particle deposition occurred under diffusion-controlled transport conditions and their coverage was evaluated by direct particle counting using the optical and electron microscopy. Adsorption kinetics was quantitatively interpreted in terms of numerical solutions of the governing diffusion equation with the non-linear boundary condition derived from Monte-Carlo simulations. It was proven that for site coverage as low as a few percent the initial flux at heterogeneous surfaces attained the maximum value pertinent to homogeneous

  3. Atmosphere-surface interactions over polar oceans and heterogeneous surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Vihma, T.

    1995-12-31

    Processes of interaction between the atmospheric boundary layer and the planetary surface have been studied with special emphasis on polar ocean surfaces: the open ocean, leads, polynyas and sea ice. The local exchange of momentum, heat and moisture has been studied experimentally both in the Weddell Sea and in the Greenland Sea. Exchange processes over heterogeneous surfaces are addressed by modelling studies. Over a homogeneous surface, the local turbulent fluxes can be reasonably well estimated using an iterative flux-profile scheme based on the Monin-Obukhov similarity theory. In the Greenland Sea, the near-surface air temperature and the generally small turbulent fluxes over the open ocean were affected by the sea surface temperature fronts. Over the sea ice cover in the Weddell Sea, the turbulent sensible heat flux was generally downwards, and together with an upward oceanic heat flux through the ice it compensated the heat loss from the surface via long-wave radiation. The wind dominated on time scales of days, while the current became important on longer time scales. The drift dynamics showed apparent spatial differences between the eastern and western regions, as well as between the Antarctic Circumpolar Current and the rest of the Weddell Sea. Inertial motion was present in regions of low ice concentration. The surface heterogeneity, arising e.g. from roughness or temperature distribution, poses a problem for the parameterization of surface exchange processes in large-scale models. In the case of neutral flow over a heterogeneous terrain, an effective roughness length can be used to parameterize the roughness effects

  4. Atmosphere-surface interactions over polar oceans and heterogeneous surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Vihma, T

    1996-12-31

    Processes of interaction between the atmospheric boundary layer and the planetary surface have been studied with special emphasis on polar ocean surfaces: the open ocean, leads, polynyas and sea ice. The local exchange of momentum, heat and moisture has been studied experimentally both in the Weddell Sea and in the Greenland Sea. Exchange processes over heterogeneous surfaces are addressed by modelling studies. Over a homogeneous surface, the local turbulent fluxes can be reasonably well estimated using an iterative flux-profile scheme based on the Monin-Obukhov similarity theory. In the Greenland Sea, the near-surface air temperature and the generally small turbulent fluxes over the open ocean were affected by the sea surface temperature fronts. Over the sea ice cover in the Weddell Sea, the turbulent sensible heat flux was generally downwards, and together with an upward oceanic heat flux through the ice it compensated the heat loss from the surface via long-wave radiation. The wind dominated on time scales of days, while the current became important on longer time scales. The drift dynamics showed apparent spatial differences between the eastern and western regions, as well as between the Antarctic Circumpolar Current and the rest of the Weddell Sea. Inertial motion was present in regions of low ice concentration. The surface heterogeneity, arising e.g. from roughness or temperature distribution, poses a problem for the parameterization of surface exchange processes in large-scale models. In the case of neutral flow over a heterogeneous terrain, an effective roughness length can be used to parameterize the roughness effects

  5. Bayesian inversion analysis of nonlinear dynamics in surface heterogeneous reactions.

    Science.gov (United States)

    Omori, Toshiaki; Kuwatani, Tatsu; Okamoto, Atsushi; Hukushima, Koji

    2016-09-01

    It is essential to extract nonlinear dynamics from time-series data as an inverse problem in natural sciences. We propose a Bayesian statistical framework for extracting nonlinear dynamics of surface heterogeneous reactions from sparse and noisy observable data. Surface heterogeneous reactions are chemical reactions with conjugation of multiple phases, and they have the intrinsic nonlinearity of their dynamics caused by the effect of surface-area between different phases. We adapt a belief propagation method and an expectation-maximization (EM) algorithm to partial observation problem, in order to simultaneously estimate the time course of hidden variables and the kinetic parameters underlying dynamics. The proposed belief propagation method is performed by using sequential Monte Carlo algorithm in order to estimate nonlinear dynamical system. Using our proposed method, we show that the rate constants of dissolution and precipitation reactions, which are typical examples of surface heterogeneous reactions, as well as the temporal changes of solid reactants and products, were successfully estimated only from the observable temporal changes in the concentration of the dissolved intermediate product.

  6. Value-added Chemicals from Biomass by Heterogeneous Catalysis

    DEFF Research Database (Denmark)

    Voss, Bodil

    feedstock, having retained one C-C bond originating from the biomass precursor, the aspects of utilising heterogeneous catalysis for its conversion to value added chemicals is investigated. Through a simple analysis of known, but not industrialised catalytic routes, the direct conversion of ethanol....... The results of the thesis, taking one example of biomass conversion, show that the utilisation of biomass in the production of chemicals by heterogeneous catalysis is promising from a technical point of view. But risks of market price excursions dominated by fossil based chemicals further set a criterion...... been implemented. The subject on chemical production has received less attention. This thesis describes and evaluates the quest for an alternative conversion route, based on a biomass feedstock and employing a heterogeneous catalyst capable of converting the feedstock, to a value-added chemical...

  7. Heterogeneously Catalysed Chemical Reactions in Carbon Dioxide Medium

    DEFF Research Database (Denmark)

    Musko, Nikolai E.

    In this PhD-study the different areas of chemical engineering, heterogeneous catalysis, supercritical fluids, and phase equilibrium thermodynamics have been brought together for selected reactions. To exploit the beneficial properties of supercritical fluids in heterogeneous catalysis, experimental...... studies of catalytic chemical reactions in dense and supercritical carbon dioxide have been complemented by the theoretical calculations of phase equilibria using advanced thermodynamic models. In the recent years, the use of compressed carbon dioxide as innovative, non-toxic and non-flammable, cheap......, and widely available reaction medium for many practical and industrial applications has drastically increased. Particularly attractive are heterogeneously catalysed chemical reactions. The beneficial use of CO2 is attributed to its unique properties at dense and supercritical states (at temperatures...

  8. Chemical Gel for Surface Decontamination

    International Nuclear Information System (INIS)

    Jung, Chong Hun; Moon, J. K.; Won, H. J.; Lee, K. W.; Kim, C. K.

    2010-01-01

    Many chemical decontamination processes operate by immersing components in aggressive chemical solutions. In these applications chemical decontamination technique produce large amounts of radioactive liquid waste. Therefore it is necessary to develop processes using chemical gels instead of chemical solutions, to avoid the well-known disadvantages of chemical decontamination techniques while retaining their high efficiency. Chemical gels decontamination process consists of applying the gel by spraying it onto the surface of large area components (floors, walls, etc) to be decontaminated. The gel adheres to any vertical or complex surface due to their thixotropic properties and operates by dissolving the radioactive deposit, along with a thin layer of the gel support, so that the radioactivity trapped at the surface can be removed. Important aspects of the gels are that small quantities can be used and they show thixitropic properties : liquid during spraying, and solid when stationary, allowing for strong adherence to surfaces. This work investigates the decontamination behaviors of organic-based chemical gel for SS 304 metallic surfaces contaminated with radioactive materials

  9. Heterogeneous chemical kinetics by modulated molecular beam mass spectrometry: limitations of technique

    International Nuclear Information System (INIS)

    Olander, D.R.

    1977-01-01

    The advantages and limitations of modulated molecular beam, mass spectrometry as applied to the study of heterogeneous chemical kinetics are reviewed. The process of deducing a model of the surface reaction from experimental data is illustrated by analysis of the hydrogen reduction of uranium dioxide

  10. A computer model for one-dimensional mass and energy transport in and around chemically reacting particles, including complex gas-phase chemistry, multicomponent molecular diffusion, surface evaporation, and heterogeneous reaction

    Science.gov (United States)

    Cho, S. Y.; Yetter, R. A.; Dryer, F. L.

    1992-01-01

    Various chemically reacting flow problems highlighting chemical and physical fundamentals rather than flow geometry are presently investigated by means of a comprehensive mathematical model that incorporates multicomponent molecular diffusion, complex chemistry, and heterogeneous processes, in the interest of obtaining sensitivity-related information. The sensitivity equations were decoupled from those of the model, and then integrated one time-step behind the integration of the model equations, and analytical Jacobian matrices were applied to improve the accuracy of sensitivity coefficients that are calculated together with model solutions.

  11. Surface-Enhanced Raman Spectroscopy for Heterogeneous Catalysis Research

    NARCIS (Netherlands)

    Harvey, C.E.

    2013-01-01

    Raman spectroscopy is valuable characterization technique for the chemical analysis of heterogeneous catalysts, both under ex-situ and in-situ conditions. The potential for Raman to shine light on the chemical bonds present in a sample makes the method highly desirable for detailed catalyst

  12. Quantifying seismic anisotropy induced by small-scale chemical heterogeneities

    Science.gov (United States)

    Alder, C.; Bodin, T.; Ricard, Y.; Capdeville, Y.; Debayle, E.; Montagner, J. P.

    2017-12-01

    Observations of seismic anisotropy are usually used as a proxy for lattice-preferred orientation (LPO) of anisotropic minerals in the Earth's mantle. In this way, seismic anisotropy observed in tomographic models provides important constraints on the geometry of mantle deformation associated with thermal convection and plate tectonics. However, in addition to LPO, small-scale heterogeneities that cannot be resolved by long-period seismic waves may also produce anisotropy. The observed (i.e. apparent) anisotropy is then a combination of an intrinsic and an extrinsic component. Assuming the Earth's mantle exhibits petrological inhomogeneities at all scales, tomographic models built from long-period seismic waves may thus display extrinsic anisotropy. In this paper, we investigate the relation between the amplitude of seismic heterogeneities and the level of induced S-wave radial anisotropy as seen by long-period seismic waves. We generate some simple 1-D and 2-D isotropic models that exhibit a power spectrum of heterogeneities as what is expected for the Earth's mantle, that is, varying as 1/k, with k the wavenumber of these heterogeneities. The 1-D toy models correspond to simple layered media. In the 2-D case, our models depict marble-cake patterns in which an anomaly in shear wave velocity has been advected within convective cells. The long-wavelength equivalents of these models are computed using upscaling relations that link properties of a rapidly varying elastic medium to properties of the effective, that is, apparent, medium as seen by long-period waves. The resulting homogenized media exhibit extrinsic anisotropy and represent what would be observed in tomography. In the 1-D case, we analytically show that the level of anisotropy increases with the square of the amplitude of heterogeneities. This relation is numerically verified for both 1-D and 2-D media. In addition, we predict that 10 per cent of chemical heterogeneities in 2-D marble-cake models can

  13. Imaging near-surface heterogeneities by natural migration of surface waves

    KAUST Repository

    Liu, Zhaolun; AlTheyab, Abdullah; Hanafy, Sherif M.; Schuster, Gerard T.

    2016-01-01

    We demonstrate that near-surface heterogeneities can be imaged by natural migration of backscattered surface waves in common shot gathers. No velocity model is required because the data are migrated onto surface points with the virtual Green

  14. Heterogeneous nucleation of calcium oxalate on native oxide surfaces

    International Nuclear Information System (INIS)

    Song, L.; Pattillo, M.J.; Graff, G.L.; Campbell, A.A.; Bunker, B.C.

    1994-04-01

    The aqueous deposition of calcium oxalate onto colloidal oxides has been studied as a model system for understanding heterogeneous nucleation processes of importance in biomimetic synthesis of ceramic thin films. Calcium oxalate nucleation has been monitored by measuring induction times for nucleation using Constant Composition techniques and by measuring nucleation densities on extended oxide surfaces using an atomic force microscope. Results show that the dependence of calcium oxalate nucleation on solution supersaturation fits the functional form predicted by classical nucleation theories. Anionic surfaces appear to promote nucleation better than cationic surfaces, lowering the effective energy barrier to heterogeneous nucleation

  15. Investigation of heterogeneous reactions of NO2 on aqueous surfaces

    International Nuclear Information System (INIS)

    Mertes, S.

    1992-01-01

    A microjet apparatus was developed for the purpose of measuring the loss in the gaseous phase and the uptake in the liquid phase of nitrogen on the basis of heterogeneous processes on a liquid surface. The measurements were to provide information on the mass accomodation coefficient α and on assumed surface reactions of NO 2 . (orig./BBR) [de

  16. INTEGRATION OF HETEROGENOUS DIGITAL SURFACE MODELS

    Directory of Open Access Journals (Sweden)

    R. Boesch

    2012-08-01

    Full Text Available The application of extended digital surface models often reveals, that despite an acceptable global accuracy for a given dataset, the local accuracy of the model can vary in a wide range. For high resolution applications which cover the spatial extent of a whole country, this can be a major drawback. Within the Swiss National Forest Inventory (NFI, two digital surface models are available, one derived from LiDAR point data and the other from aerial images. Automatic photogrammetric image matching with ADS80 aerial infrared images with 25cm and 50cm resolution is used to generate a surface model (ADS-DSM with 1m resolution covering whole switzerland (approx. 41000 km2. The spatially corresponding LiDAR dataset has a global point density of 0.5 points per m2 and is mainly used in applications as interpolated grid with 2m resolution (LiDAR-DSM. Although both surface models seem to offer a comparable accuracy from a global view, local analysis shows significant differences. Both datasets have been acquired over several years. Concerning LiDAR-DSM, different flight patterns and inconsistent quality control result in a significantly varying point density. The image acquisition of the ADS-DSM is also stretched over several years and the model generation is hampered by clouds, varying illumination and shadow effects. Nevertheless many classification and feature extraction applications requiring high resolution data depend on the local accuracy of the used surface model, therefore precise knowledge of the local data quality is essential. The commercial photogrammetric software NGATE (part of SOCET SET generates the image based surface model (ADS-DSM and delivers also a map with figures of merit (FOM of the matching process for each calculated height pixel. The FOM-map contains matching codes like high slope, excessive shift or low correlation. For the generation of the LiDAR-DSM only first- and last-pulse data was available. Therefore only the point

  17. Evaporation rates and surface profiles on heterogeneous surfaces with mass transfer and surface reaction

    Energy Technology Data Exchange (ETDEWEB)

    Flytzani-Stephanopoulos, M; Schmidt, L D

    1979-01-01

    Simple models incorporating surface reaction and diffusion of volatile products through a boundary layer are developed to calculate effective rates of evaporation and local surface profiles on surfaces having active and inactive regions. The coupling between surface heterogeneities with respect to a particular reaction and external mass transfer may provide a mechanism for the surface rearrangement and metal loss encountered in several catalytic systems of practical interest. Calculated transport rates for the volatilization of platinum in oxidizing environments and the rearrangement of this metal during the ammonia oxidation reaction agree well with published experimental data.

  18. Structure of adsorbed monolayers. The surface chemical bond

    International Nuclear Information System (INIS)

    Somorjai, G.A.; Bent, B.E.

    1984-06-01

    This paper attempts to provide a summary of what has been learned about the structure of adsorbed monolayers and about the surface chemical bond from molecular surface science. While the surface chemical bond is less well understood than bonding of molecules in the gas phase or in the solid state, our knowledge of its properties is rapidly accumulating. The information obtained also has great impact on many surface science based technologies, including heterogeneous catalysis and electronic devices. It is hoped that much of the information obtained from studies at solid-gas interfaces can be correlated with molecular behavior at solid-liquid interfaces. 31 references, 42 figures, 1 table

  19. The chemical physics of surfaces

    CERN Document Server

    Morrison, Stanley Roy

    1990-01-01

    Even more importantly, some authors who have contributed substantially to an area may have been overlooked. For this I apologize. I have, however, not attempted to trace techniques or observa­ tions historically, so there is no implication (unless specified) that the authors referred to were or were not the originators of a given method or observation. I would like to acknowledge discussions with co-workers at SFU for input relative to their specialties, to acknowledge the help of students who have pointed out errors and difficulties in the earlier presentation, and to acknowledge the infinite patience of my wife Phyllis while I spent my sabbatical and more in libraries and punching computers. S. Roy Morrison 0 1 Contents Notation XV 1. Introduction 1 1. 1. Surface States and Surface Sites . 1 1. 1. 1. The Chemical versus Electronic Representation of the Surface. 1 1. 1. 2. The Surface State on the Band Diagram 4 1. 1. 3. The Fermi Energy in the Surface State Model. 6 1. 1. 4. Need for Both Surface...

  20. Kinetics of particle deposition at heterogeneous surfaces

    Science.gov (United States)

    Stojiljković, D. Lj.; Vrhovac, S. B.

    2017-12-01

    The random sequential adsorption (RSA) approach is used to analyze adsorption of spherical particles of fixed diameter d0 on nonuniform surfaces covered by square cells arranged in a square lattice pattern. To characterize such pattern two dimensionless parameters are used: the cell size α and the cell-cell separation β, measured in terms of the particle diameter d0. Adsorption is assumed to occur if the particle (projected) center lies within a cell area. We focus on the kinetics of deposition process in the case when no more than a single disk can be placed onto any square cell (α deposition process is not consistent with the power law behavior. However, if the geometry of the pattern approaches towards ;noninteracting conditions; (β > 1), when adsorption on each cell can be decoupled, approach of the coverage fraction θ(t) to θJ becomes closer to the exponential law. Consequently, changing the pattern parameters in the present model allows to interpolate the deposition kinetics between the continuum limit and the lattice-like behavior. Structural properties of the jammed-state coverings are studied in terms of the radial distribution function g(r) and spatial distribution of particles inside the cell. Various, non-trivial spatial distributions are observed depending on the geometry of the pattern.

  1. Kinetics of heterogeneous chemical reactions: a theoretical model for the accumulation of pesticides in soil.

    Science.gov (United States)

    Lin, S H; Sahai, R; Eyring, H

    1971-04-01

    A theoretical model for the accumulation of pesticides in soil has been proposed and discussed from the viewpoint of heterogeneous reaction kinetics with a basic aim to understand the complex nature of soil processes relating to the environmental pollution. In the bulk of soil, the pesticide disappears by diffusion and a chemical reaction; the rate processes considered on the surface of soil are diffusion, chemical reaction, vaporization, and regular pesticide application. The differential equations involved have been solved analytically by the Laplace-transform method.

  2. Empirical isotropic chemical shift surfaces

    International Nuclear Information System (INIS)

    Czinki, Eszter; Csaszar, Attila G.

    2007-01-01

    A list of proteins is given for which spatial structures, with a resolution better than 2.5 A, are known from entries in the Protein Data Bank (PDB) and isotropic chemical shift (ICS) values are known from the RefDB database related to the Biological Magnetic Resonance Bank (BMRB) database. The structures chosen provide, with unknown uncertainties, dihedral angles φ and ψ characterizing the backbone structure of the residues. The joint use of experimental ICSs of the same residues within the proteins, again with mostly unknown uncertainties, and ab initio ICS(φ,ψ) surfaces obtained for the model peptides For-(l-Ala) n -NH 2 , with n = 1, 3, and 5, resulted in so-called empirical ICS(φ,ψ) surfaces for all major nuclei of the 20 naturally occurring α-amino acids. Out of the many empirical surfaces determined, it is the 13C α ICS(φ,ψ) surface which seems to be most promising for identifying major secondary structure types, α-helix, β-strand, left-handed helix (α D ), and polyproline-II. Detailed tests suggest that Ala is a good model for many naturally occurring α-amino acids. Two-dimensional empirical 13C α - 1 H α ICS(φ,ψ) correlation plots, obtained so far only from computations on small peptide models, suggest the utility of the experimental information contained therein and thus they should provide useful constraints for structure determinations of proteins

  3. Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

    KAUST Repository

    Hong, Jongsup

    2013-10-01

    The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

  4. Analysis of heterogeneous oxygen exchange and fuel oxidation on the catalytic surface of perovskite membranes

    KAUST Repository

    Hong, Jongsup; Kirchen, Patrick; Ghoniem, Ahmed F.

    2013-01-01

    The catalytic kinetics of oxygen surface exchange and fuel oxidation for a perovskite membrane is investigated in terms of the thermodynamic state in the immediate vicinity of or on the membrane surface. Perovskite membranes have been shown to exhibit both oxygen perm-selectivity and catalytic activity for hydrocarbon conversion. A fundamental description of their catalytic surface reactions is needed. In this study, we infer the kinetic parameters for heterogeneous oxygen surface exchange and catalytic fuel conversion reactions, based on permeation rate measurements and a spatially resolved physical model that incorporates detailed chemical kinetics and transport in the gas-phase. The conservation equations for surface and bulk species are coupled with those of the gas-phase species through the species production rates from surface reactions. It is shown that oxygen surface exchange is limited by dissociative/associative adsorption/desorption of oxygen molecules onto/from the membrane surface. On the sweep side, while the catalytic conversion of methane to methyl radical governs the overall surface reactions at high temperature, carbon monoxide oxidation on the membrane surface is dominant at low temperature. Given the sweep side conditions considered in ITM reactor experiments, gas-phase reactions also play an important role, indicating the significance of investigating both homogeneous and heterogeneous chemistry and their coupling when examining the results. We show that the local thermodynamic state at the membrane surface should be considered when constructing and examining models of oxygen permeation and heterogeneous chemistry. © 2013 Elsevier B.V.

  5. High-resolution observations of combustion in heterogeneous surface fuels

    Science.gov (United States)

    E. Louise Loudermilk; Gary L. Achtemeier; Joseph J. O' Brien; J. Kevin Hiers; Benjamin S. Hornsby

    2014-01-01

    In ecosystems with frequent surface fires, fire and fuel heterogeneity at relevant scales have been largely ignored. This could be because complete burns give an impression of homogeneity, or due to the difficulty in capturing fine-scale variation in fuel characteristics and fire behaviour. Fire movement between patches of fuel can have implications for modelling fire...

  6. Surface current double-heterogeneous multilayer multicell methodology

    International Nuclear Information System (INIS)

    Stepanek, J.; Segev, M.

    1991-01-01

    A surface current methodology is developed to respond to the need for treating the various levels of material heterogeneity in a double-heterogeneous multilayer multicell in processing neutron multigroup cross sections in the resonance as well as thermal energy range. First, the basic surface cosine current transport equations to calculate the energy-dependent neutron flux spatial distribution in the multilayered multicell are formulated. Slab, spherical and cylindrical geometries, as well as square and hexagonal lattices and pebble-bed configurations with white or reflective cell boundary conditions, are considered. Second, starting from the surface cosine-current formulation, a two-zone three-layer multicell formalism for reduction of heterogeneous flux expressions to equivalent homogeneous flux expression for table method was developed. This formalism allows an infinite, as well as a limited, number of second-heterogeneity cells within a partial first-heterogeneity cell layer to be considered. Also, the number of the first-and second-heterogeneity cell types is quite general. The 'outer' (right side) as well as 'inner' (left side) Dancoff probabilities can be calculated for any particular layer. An accurate, efficient, and compact interpolation procedure is developed to calculate the basic collision probabilities. These are transmission and escape probabilities for shells in slab, cylindrical, and spherical geometries, as well as Dancoff probabilities for cylinders in square and hexagonal lattices. The use of the interpolation procedure is exemplified in a multilayer multicell approximation for the Dancoff probability, enabling a routine evaluation of the equivalence-based shielded resonance integral in highly complex lattices of slab, cylindrical, or spherical cells. (author) 1 fig., 2 tabs., 10 refs

  7. The Ocular Surface Chemical Burns

    Directory of Open Access Journals (Sweden)

    Medi Eslani

    2014-01-01

    Full Text Available Ocular chemical burns are common and serious ocular emergencies that require immediate and intensive evaluation and care. The victims of such incidents are usually young, and therefore loss of vision and disfigurement could dramatically affect their lives. The clinical course can be divided into immediate, acute, early, and late reparative phases. The degree of limbal, corneal, and conjunctival involvement at the time of injury is critically associated with prognosis. The treatment starts with simple but vision saving steps and is continued with complicated surgical procedures later in the course of the disease. The goal of treatment is to restore the normal ocular surface anatomy and function. Limbal stem cell transplantation, amniotic membrane transplantation, and ultimately keratoprosthesis may be indicated depending on the patients’ needs.

  8. Applications of micro-spectroscopy and chemical imaging to delineate contaminant associations in heterogeneous mineral environments

    International Nuclear Information System (INIS)

    Hunter, D.

    1998-01-01

    Full text: Chemical speciation of a contaminant in the environment controls its mobility, bioavailability and ultimately its toxicity to organisms, including man. Transport models for environmental contaminants have continually failed because of an incomplete understanding of the physicochemical controls regulating the chemical speciation of both inorganic and organic contaminants. One of the greatest analytical difficulties to studying contaminant behavior in the subsurface is the inherent heterogeneity of mineral and organic constituents. Added to the multiplicity, of geological component surfaces that contaminants can interact with is the synergistic (both positive and negative) effects that occur due to non-conservative interactions between these components. Modern spectroscopic techniques can provide detailed quantitative and qualitative information on how contaminants behave within a specific mineral's surface-water interface. In general, the information is so rich as to be un interpretable in heterogeneous systems where multiple binding environments exist on competing multi-mineralic surfaces. None-the-less, it is the behaviour of contaminants in complex heterogeneous environments that is tantamount to understanding and predicting transport behaviour under field conditions. One solution is micro-spot spectroscopy. In micro-spot spectroscopy, chemical composition is determined by dispersing light absorbed or emitted from a highly localized spatial position within a heterogeneous sample. Such examples include FT-IR, Raman, fluorescence, and X-Ray absorption spectroscopies where spatial resolutions of 1 to 10 μm can be achieved. This scale can be still far too large to fully spectroscopically probe binding behaviour that is heterogeneous on colloidal scales ranging down to nanometers. However, it can provide a bridge to established characterization techniques such as optical petrography, since the challenge lies not only in identifying the speciation and

  9. Heterogeneous catalytic materials solid state chemistry, surface chemistry and catalytic behaviour

    CERN Document Server

    Busca, Guido

    2014-01-01

    Heterogeneous Catalytic Materials discusses experimental methods and the latest developments in three areas of research: heterogeneous catalysis; surface chemistry; and the chemistry of catalysts. Catalytic materials are those solids that allow the chemical reaction to occur efficiently and cost-effectively. This book provides you with all necessary information to synthesize, characterize, and relate the properties of a catalyst to its behavior, enabling you to select the appropriate catalyst for the process and reactor system. Oxides (used both as catalysts and as supports for cata

  10. Molecular surface science of heterogeneous catalysis. History and perspective

    International Nuclear Information System (INIS)

    Somorjai, G.A.

    1983-08-01

    A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH 3 synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures

  11. Molecular surface science of heterogeneous catalysis. History and perspective

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, G.A.

    1983-08-01

    A personal account is given of how the author became involved with modern surface science and how it was employed for studies of the chemistry of surfaces and heterogeneous catalysis. New techniques were developed for studying the properties of the surface monolayers: Auger electron spectroscopy, LEED, XPS, molecular beam surface scattering, etc. An apparatus was developed and used to study hydrocarbon conversion reactions on Pt, CO hydrogenation on Rh and Fe, and NH/sub 3/ synthesis on Fe. A model has been developed for the working Pt reforming catalyst. The three molecular ingredients that control catalytic properties are atomic surface structure, an active carbonaceous deposit, and the proper oxidation state of surface atoms. 40 references, 21 figures. (DLC)

  12. Surface-complexation models for sorption onto heterogeneous surfaces

    International Nuclear Information System (INIS)

    Harvey, K.B.

    1997-10-01

    This report provides a description of the discrete-logK spectrum model, together with a description of its derivation, and of its place in the larger context of surface-complexation modelling. The tools necessary to apply the discrete-logK spectrum model are discussed, and background information appropriate to this discussion is supplied as appendices. (author)

  13. Adsorption of gas mixtures on heterogeneous solid surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jaroniec, M; Rudzinski, W

    1977-01-01

    A review of theoretical studies on the physical adsorption from gas mixtures on heterogeneous solid surfaces, mainly by Jaroniec and coworkers, covers the vector notation used in the calculations; adsorption isotherms for multicomponent gases; the generalized integral equation for adsorption of gas mixtures, its numerical and analytical solutions, applied, (e.g., to interpret the experimental adsorption isotherms of ethane/ethylene on Nuxit-AL); thermodynamic relations, applied, (e.g., to calculating isosteric adsorption heats from experimental parameters for the adsorption of propylene from propane/propylene mixtures on Nuxit-AL); and the derivation and use of a simplified integral equation for describing the adsorption from gas mixtures on heterogeneous surfaces. 75 references.

  14. Fractal characteristics of an asphaltene deposited heterogeneous surface

    International Nuclear Information System (INIS)

    Amin, J. Sayyad; Ayatollahi, Sh.; Alamdari, A.

    2009-01-01

    Several methods have been employed in recent years to investigate homogeneous surface topography based on image analysis, such as AFM (atomic force microscopy) and SEM (scanning electron microscopy). Fractal analysis of the images provides fractal dimension of the surface which is used as one of the most common surface indices. Surface topography has generally been considered to be mono-fractal. On the other hand, precipitation of organic materials on a rough surface and its irregular growth result in morphology alteration and converts a homogeneous surface to a heterogeneous one. In this case a mono-fractal description of the surface does not completely describe the nature of the altered surface. This work aims to investigate the topography alteration of a glass surface as a result of asphaltene precipitation and its growth at various pressures using a bi-fractal approach. The experimental results of the deposited surfaces were clearly indicating two regions of micro- and macro-asperities namely, surface types I and II, respectively. The fractal plots were indicative of bi-fractal behavior and for each surface type one fractal dimension was calculated. The topography information of the surfaces was obtained by two image analyses, AFM and SEM imaging techniques. Results of the bi-fractal analysis demonstrated that topography alteration in surface type II (macro-asperities) is more evident than that in surface type I (micro-asperities). Compared to surface type II, a better correlation was observed between the fractal dimensions inferred from the AFM images (D A ) and those of the SEM images (D S ) in surface type I.

  15. Analysis of Surface Heterogeneity Effects with Mesoscale Terrestrial Modeling Platforms

    Science.gov (United States)

    Simmer, C.

    2015-12-01

    An improved understanding of the full variability in the weather and climate system is crucial for reducing the uncertainty in weather forecasting and climate prediction, and to aid policy makers to develop adaptation and mitigation strategies. A yet unknown part of uncertainty in the predictions from the numerical models is caused by the negligence of non-resolved land surface heterogeneity and the sub-surface dynamics and their potential impact on the state of the atmosphere. At the same time, mesoscale numerical models using finer horizontal grid resolution [O(1)km] can suffer from inconsistencies and neglected scale-dependencies in ABL parameterizations and non-resolved effects of integrated surface-subsurface lateral flow at this scale. Our present knowledge suggests large-eddy-simulation (LES) as an eventual solution to overcome the inadequacy of the physical parameterizations in the atmosphere in this transition scale, yet we are constrained by the computational resources, memory management, big-data, when using LES for regional domains. For the present, there is a need for scale-aware parameterizations not only in the atmosphere but also in the land surface and subsurface model components. In this study, we use the recently developed Terrestrial Systems Modeling Platform (TerrSysMP) as a numerical tool to analyze the uncertainty in the simulation of surface exchange fluxes and boundary layer circulations at grid resolutions of the order of 1km, and explore the sensitivity of the atmospheric boundary layer evolution and convective rainfall processes on land surface heterogeneity.

  16. Chemical placement in heterogeneous and long reach horizontal wells

    Energy Technology Data Exchange (ETDEWEB)

    Stalker, Robert; Wahid, Fazrie; Graham, Gordon M.

    2006-03-15

    The effective placement of chemical squeeze treatments in heterogeneous wells and long reach horizontal wells has proved a significant challenge, with various factors including heterogeneity, crossflow and pressure gradients between otherwise non-communicating zones within the well, all contributing to an uneven placement of the scale squeeze treatment into the reservoir. Current methods to circumvent these problems often rely on extremely expensive coiled tubing operations, staged diversion (temporary shut off) treatments or by designing treatments to deliberately overdose some zones in order to gain placement in other (e.g. low permeability) zones. Moreover for deepwater sub sea horizontal wells the costs associated with ''spot'' treating along the length of horizontal wells by coil tubing tractor operations can often be prohibitively expensive. For other very near well bore treatments such as acid stimulation a number of self diverting strategies including gelled acid treatments, staged viscoelastic surfactant treatments and foams have been applied in field treatments with some success. However the properties which make such treatments applicable for acid stimulation may also make them inappropriate for bullhead scale squeeze treatments. Recent work by the current authors has however indicated the possible benefits of using modified injection fluids to aid uniform scale inhibitor placement in such wells in order to effect more even placement. In summary this paper will describe the various options available for achieving self diversion and describes the potential drawbacks associated with the viscous placement fluids commonly used for acid simulation techniques. In addition, various simulation packages commonly used for scale related calculations are reviewed and their limitations, primarily due to the inherent assumptions made and input parameters used, for modelling squeeze treatments using such modified fluids are described. The paper

  17. Light-induced nitrous acid (HONO) production from NO2 heterogeneous reactions on household chemicals

    Science.gov (United States)

    Gómez Alvarez, Elena; Sörgel, Matthias; Gligorovski, Sasho; Bassil, Sabina; Bartolomei, Vincent; Coulomb, Bruno; Zetzsch, Cornelius; Wortham, Henri

    2014-10-01

    Nitrous acid (HONO) can be generated in various indoor environments directly during combustion processes or indirectly via heterogeneous NO2 reactions with water adsorbed layers on diverse surfaces. Indoors not only the concentrations of NO2 are higher but the surface to volume (S/V) ratios are larger and therefore the potential of HONO production is significantly elevated compared to outdoors. It has been claimed that the UV solar light is largely attenuated indoors. Here, we show that solar light (λ > 340 nm) penetrates indoors and can influence the heterogeneous reactions of gas-phase NO2 with various household surfaces. The NO2 to HONO conversion mediated by light on surfaces covered with domestic chemicals has been determined at atmospherically relevant conditions i.e. 50 ppb NO2 and 50% RH. The formation rates of HONO were enhanced in presence of light for all the studied surfaces and are determined in the following order: 1.3·109 molecules cm-2 s-1 for borosilicate glass, 1.7·109 molecules cm-2 s-1 for bathroom cleaner, 1.0·1010 molecules cm-2 s-1 on alkaline detergent (floor cleaner), 1.3·1010 molecules cm-2 s-1 for white wall paint and 2.7·1010 molecules cm-2 s-1 for lacquer. These results highlight the potential of household chemicals, used for cleaning purposes to generate HONO indoors through light-enhanced NO2 heterogeneous reactions. The results obtained have been applied to predict the timely evolution of HONO in a real indoor environment using a dynamic mass balance model. A steady state mixing ratio of HONO has been estimated at 1.6 ppb assuming a contribution from glass, paint and lacquer and considering the photolysis of HONO as the most important loss process.

  18. Imaging near-surface heterogeneities by natural migration of surface waves

    KAUST Repository

    Liu, Zhaolun

    2016-09-06

    We demonstrate that near-surface heterogeneities can be imaged by natural migration of backscattered surface waves in common shot gathers. No velocity model is required because the data are migrated onto surface points with the virtual Green\\'s functions computed from the shot gathers. Migrating shot gathers recorded by 2D and 3D land surveys validates the effectiveness of detecting nearsurface heterogeneities by natural migration. The implication is that more accurate hazard maps can be created by migrating surface waves in land surveys.

  19. Apparent thermal inertia and the surface heterogeneity of Mars

    Science.gov (United States)

    Putzig, Nathaniel E.; Mellon, Michael T.

    2007-11-01

    Thermal inertia derivation techniques generally assume that surface properties are uniform at horizontal scales below the footprint of the observing instrument and to depths of several decimeters. Consequently, surfaces with horizontal or vertical heterogeneity may yield apparent thermal inertia which varies with time of day and season. To investigate these temporal variations, we processed three Mars years of Mars Global Surveyor Thermal Emission Spectrometer observations and produced global nightside and dayside seasonal maps of apparent thermal inertia. These maps show broad regions with diurnal and seasonal differences up to 200 J m -2 K -1s -1/2 at mid-latitudes (60° S to 60° N) and 600 J m -2 K -1s -1/2 or greater in the polar regions. We compared the seasonal mapping results with modeled apparent thermal inertia and created new maps of surface heterogeneity at 5° resolution, delineating regions that have thermal characteristics consistent with horizontal mixtures or layers of two materials. The thermal behavior of most regions on Mars appears to be dominated by layering, with upper layers of higher thermal inertia (e.g., duricrusts or desert pavements over fines) prevailing in mid-latitudes and upper layers of lower thermal inertia (e.g., dust-covered rock, soils with an ice table at shallow depths) prevailing in polar regions. Less common are regions dominated by horizontal mixtures, such as those containing differing proportions of rocks, sand, dust, and duricrust or surfaces with divergent local slopes. Other regions show thermal behavior that is more complex and not well-represented by two-component surface models. These results have important implications for Mars surface geology, climate modeling, landing-site selection, and other endeavors that employ thermal inertia as a tool for characterizing surface properties.

  20. Mass transfer in porous media with heterogeneous chemical reaction

    Directory of Open Access Journals (Sweden)

    Souza S.M.A.G.Ulson de

    2003-01-01

    Full Text Available In this paper, the modeling of the mass transfer process in packed-bed reactors is presented and takes into account dispersion in the main fluid phase, internal diffusion of the reactant in the pores of the catalyst, and surface reaction inside the catalyst. The method of volume averaging is applied to obtain the governing equation for use on a small scale. The local mass equilibrium is assumed for obtaining the one-equation model for use on a large scale. The closure problems are developed subject to the length-scale constraints and the model of a spatially periodic porous medium. The expressions for effective diffusivity, hydrodynamic dispersion, total dispersion and the Darcy's law permeability tensors are presented. Solution of the set of final equations permits the variations of velocity and concentration of the chemical species along the packed-bed reactors to be obtained.

  1. Chemical stabilization of graphite surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bistrika, Alexander A.; Lerner, Michael M.

    2018-04-03

    Embodiments of a device, or a component of a device, including a stabilized graphite surface, methods of stabilizing graphite surfaces, and uses for the devices or components are disclosed. The device or component includes a surface comprising graphite, and a plurality of haloaryl ions and/or haloalkyl ions bound to at least a portion of the graphite. The ions may be perhaloaryl ions and/or perhaloalkyl ions. In certain embodiments, the ions are perfluorobenzenesulfonate anions. Embodiments of the device or component including stabilized graphite surfaces may maintain a steady-state oxidation or reduction surface current density after being exposed to continuous oxidation conditions for a period of at least 1-100 hours. The device or component is prepared by exposing a graphite-containing surface to an acidic aqueous solution of the ions under oxidizing conditions. The device or component can be exposed in situ to the solution.

  2. Interaction of 3D dewetting nanodroplets on homogeneous and chemically heterogeneous substrates

    International Nuclear Information System (INIS)

    Asgari, M; Moosavi, A

    2014-01-01

    Long-time interaction of dewetting nanodroplets is investigated using a long-wave approximation method. Although three-dimensional (3D) droplets evolution dynamics exhibits qualitative behavior analogous to two-dimensional (2D) dynamics, there is an extensive quantitative difference between them. 3D dynamics is substantially faster than 2D dynamics. This can be related to the larger curvature and, as a consequence, the larger Laplace pressure difference between the droplets in 3D systems. The influence of various chemical heterogeneities on the behavior of droplets has also been studied. In the case of gradient surfaces, it is shown how the gradient direction could change the dynamics. For a chemical step located between the droplets, the dynamics is enhanced or weakened depending on the initial configuration of the system. (paper)

  3. The impacts of pore-scale physical and chemical heterogeneities on the transport of radionuclide-carrying colloids

    Energy Technology Data Exchange (ETDEWEB)

    WU, Ning

    2018-04-24

    Independent of the methods of nuclear waste disposal, the degradation of packaging materials could lead to mobilization and transport of radionuclides into the geosphere. This process can be significantly accelerated due to the association of radionuclides with the backfill materials or mobile colloids in groundwater. The transport of these colloids is complicated by the inherent coupling of physical and chemical heterogeneities (e.g., pore space geometry, grain size, charge heterogeneity, and surface hydrophobicity) in natural porous media that can exist on the length scale of a few grains. In addition, natural colloids themselves are often heterogeneous in their surface properties (e.g., clay platelets possess opposite charges on the surface and along the rim). Both physical and chemical heterogeneities influence the transport and retention of radionuclides under various groundwater conditions. However, the precise mechanisms how these coupled heterogeneities influence colloidal transport are largely elusive. This knowledge gap is a major source of uncertainty in developing accurate models to represent the transport process and to predict distribution of radionuclides in the geosphere.

  4. Mars Surface Heterogeneity From Variations in Apparent Thermal Inertia

    Science.gov (United States)

    Putzig, N. E.; Mellon, M. T.

    2005-12-01

    Current techniques used in the calculation of thermal inertia from observed brightness temperatures typically assume that planetary surface properties are uniform on the scale of the instrument's observational footprint. Mixed or layered surfaces may yield different apparent thermal inertia values at different seasons or times of day due to the nonlinear relationship between temperature and thermal inertia. To obtain sufficient data coverage for investigating temporal changes, we processed three Mars years of observations from the Mars Global Surveyor Thermal Emission Spectrometer and produced seasonal nightside and dayside maps of apparent thermal inertia. These maps show broad regions with seasonal and diurnal differences as large as 200 J m-2 K-1 s-½ at mid-latitudes (60°S to 60°N) and ranging up to 600 J m-2 K-1 s-½ or greater in the polar regions. Comparison of the maps with preliminary results from forward-modeling of heterogeneous surfaces indicates that much of the martian surface may be dominated by (1) horizontally mixed surfaces, such as those containing differing proportions of rocks, sand, dust, duricrust, and localized frosts; (2) higher thermal inertia layers over lower thermal inertia substrates, such as duricrust or desert pavements; and (3) lower thermal inertia layers over higher thermal inertia substrates, such as dust over sand or rocks and soils with an ice table at depth.

  5. Effect of chemical and physical heterogeneities on colloid-facilitated cesium transport

    Science.gov (United States)

    Rod, Kenton; Um, Wooyong; Chun, Jaehun; Wu, Ning; Yin, Xialong; Wang, Guohui; Neeves, Keith

    2018-06-01

    A set of column experiments was conducted to investigate the chemical and physical heterogeneity effect on colloid facilitated transport under slow pore velocity conditions. Pore velocities were kept below 100 cm d-1 for all experiments. Glass beads were packed into columns establishing four different conditions: 1) homogeneous, 2) mixed physical heterogeneity, 3) sequentially layered physical heterogeneity, and 4) chemical heterogeneity. The homogeneous column was packed with glass beads (diameter 500-600 μm), and physical heterogeneities were created by sequential layering or mixing two sizes of glass bead (500-600 μm and 300-400 μm). A chemical heterogeneity was created using 25% of the glass beads coated with hydrophobic molecules (1H-1H-2H-2H-perfluorooctyltrichlorosilane) mixed with 75% pristine glass beads (all 500-600 μm). Input solution with 0.5 mM CsI and 50 mg L-1 colloids (1-μm diameter SiO2) was pulsed into columns under saturated conditions. The physical heterogeneity in the packed glass beads retarded the transport of colloids compared to homogeneous (R = 25.0), but showed only slight differences between sequentially layered (R = 60.7) and mixed heterogeneity(R = 62.4). The column with the chemical, hydrophobic/hydrophilic, heterogeneity removed most of the colloids from the input solution. All column conditions stripped Cs from colloids onto the column matrix of packed glass beads.

  6. Regulating the surface of nanoceria and its applications in heterogeneous catalysis

    Science.gov (United States)

    Ma, Yuanyuan; Gao, Wei; Zhang, Zhiyun; Zhang, Sai; Tian, Zhimin; Liu, Yuxuan; Ho, Johnny C.; Qu, Yongquan

    2018-03-01

    Ceria (CeO2) as a support, additive, and active component for heterogeneous catalysis has been demonstrated to have great catalytic performance, which includes excellent thermal structural stability, catalytic efficiency, and chemoselectivity. Understanding the surface properties of CeO2 and the chemical reactions occurred on the corresponding interfaces is of great importance in the rational design of heterogeneous catalysts for various reactions. In general, the reversible Ce3+/Ce4+ redox pair and the surface acid-base properties contribute to the superior intrinsic catalytic capability of CeO2, and hence yield enhanced catalytic phenomenon in many reactions. Particularly, nanostructured CeO2 is characterized by a large number of surface-bound defects, which are primarily oxygen vacancies, as the surface active catalytic sites. Many efforts have therefore been made to control the surface defects and properties of CeO2 by various synthetic strategies and post-treatments. The present review provides a comprehensive overview of recent progress in regulating the surface structure and composition of CeO2 and its applications in catalysis.

  7. Adhesion mapping of chemically modified and poly(ethylene oxide)-grafted glass surfaces

    OpenAIRE

    Jogikalmath, G.; Stuart, J.K.; Pungor, A.; Hlady, V.

    1999-01-01

    Two-dimensional mapping of the adhesion pull-off forces was used to study the origin of surface heterogeneity in the grafted poly(ethylene oxide) (PEO) layer. The variance of the pull-off forces measured over the μm-sized regions after each chemical step of modifying glass surfaces was taken to be a measure of the surface chemical heterogeneity. The attachment of γ-glycidoxypropyltrimethoxy silane (GPS) to glass decreased the pull-off forces relative to the clean glass and made the surface mo...

  8. Chemical Reactions at Surfaces. Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Freud, Hans-Joachim [Max-Planck-Gesellschaft, Berlin (Germany). Fritz-Haber-Inst.

    2003-02-21

    The Gordon Research Conference (GRC) on Chemical Reactions at Surfaces was held at Holiday Inn, Ventura, California, 2/16-21/03. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  9. Effect of Heterogeneous Chemical Reactions on the Köhler Activation of Aqueous Organic Aerosols.

    Science.gov (United States)

    Djikaev, Yuri S; Ruckenstein, Eli

    2018-05-03

    We study some thermodynamic aspects of the activation of aqueous organic aerosols into cloud droplets considering the aerosols to consist of liquid solution of water and hydrophilic and hydrophobic organic compounds, taking into account the presence of reactive species in the air. The hydrophobic (surfactant) organic molecules on the surface of such an aerosol can be processed by chemical reactions with some atmospheric species; this affects the hygroscopicity of the aerosol and hence its ability to become a cloud droplet either via nucleation or via Köhler activation. The most probable pathway of such processing involves atmospheric hydroxyl radicals that abstract hydrogen atoms from hydrophobic organic molecules located on the aerosol surface (first step), the resulting radicals being quickly oxidized by ubiquitous atmospheric oxygen molecules to produce surface-bound peroxyl radicals (second step). These two reactions play a crucial role in the enhancement of the Köhler activation of the aerosol and its evolution into a cloud droplet. Taking them and a third reaction (next in the multistep chain of relevant heterogeneous reactions) into account, one can derive an explicit expression for the free energy of formation of a four-component aqueous droplet on a ternary aqueous organic aerosol as a function of four independent variables of state of a droplet. The results of numerical calculations suggest that the formation of cloud droplets on such (aqueous hydrophilic/hydrophobic organic) aerosols is most likely to occur as a Köhler activation-like process rather than via nucleation. The model allows one to determine the threshold parameters of the system necessary for the Köhler activation of such aerosols, which are predicted to be very sensitive to the equilibrium constant of the chain of three heterogeneous reactions involved in the chemical aging of aerosols.

  10. Impact of supersonic and subsonic aircraft on ozone: Including heterogeneous chemical reaction mechanisms

    International Nuclear Information System (INIS)

    Kinnison, D.E.; Wuebbles, D.J.

    1992-01-01

    Preliminary calculations suggest that heterogeneous reactions are important in calculating the impact on ozone from emissions of trace gases from aircraft fleets. In this study, three heterogeneous chemical processes that occur on background sulfuric acid aerosols are included and their effects on O 3 , NO x , Cl x , HCl, N 2 O 5 , ClONO 2 are calculated

  11. The Theory of Thermodynamics for Chemical Reactions in Dispersed Heterogeneous Systems

    Science.gov (United States)

    Yongqiang; Baojiao; Jianfeng

    1997-07-01

    In this paper, the expressions of Gibbs energy change, enthalpy change, entropy change, and equilibrium constant for chemical reactions in dispersed heterogeneous systems are derived using classical thermodynamics theory. The thermodynamical relations for the same reaction system between the dispersed and the block state are also derived. The effects of degree of dispersion on thermodynamical properties, reaction directions, and chemical equilibria are discussed. The results show that the present equation of thermodynamics for chemical reactions is only a special case of the above-mentioned formulas and that the effect of the dispersity of a heterogeneous system on the chemical reaction obeys the Le Chatelier principle of movement of equilibria.

  12. Mechanical and chemical decontamination of surfaces

    International Nuclear Information System (INIS)

    Kienhoefer, M.

    1982-01-01

    Decontamination does not mean more than a special technique of cleaning surfaces by methods well known in the industry. The main difference consists in the facts that more than just the visible dirt is to be removed and that radioactive contamination cannot be seen. Especially, intensive mechanical and chemical carry-off methods are applied to attack the surfaces. In order to minimize damages caused to the surfaces, the decontamination method is to adapt to the material and the required degree of decontamination. The various methods, their advantages and disadvantages are described, and the best known chemical solutions are shown. (orig./RW)

  13. Imaging near-surface heterogeneities by natural migration of backscattered surface waves

    KAUST Repository

    AlTheyab, Abdullah

    2016-02-01

    We present a migration method that does not require a velocity model to migrate backscattered surface waves to their projected locations on the surface. This migration method, denoted as natural migration, uses recorded Green\\'s functions along the surface instead of simulated Green\\'s functions. The key assumptions are that the scattering bodies are within the depth interrogated by the surface waves, and the Green\\'s functions are recorded with dense receiver sampling along the free surface. This natural migration takes into account all orders of multiples, mode conversions and non-linear effects of surface waves in the data. The natural imaging formulae are derived for both active source and ambient-noise data, and computer simulations show that natural migration can effectively image near-surface heterogeneities with typical ambient-noise sources and geophone distributions.

  14. Chemical diffusion on solid surfaces. Final report

    International Nuclear Information System (INIS)

    Hudson, J.B.

    1980-12-01

    The techniques of surface science have been applied to the problem of the measurement of the surface diffusion rate of an adsorbed species over the surface of a chemically dissimilar material. Studies were carried out for hydrogen and nitrogen adatoms on a Ni(100) surface and for silver adatoms on a sapphire surface. Positive results were obtained only for the case of nitrogen on Ni(100). In this system the diffusivity is characterized by the expression D = D 0 exp (/sup -ΔH//RT), with D 0 = 0.25 cm 2 /sec and ΔH = 28kcal/mol

  15. Attainment of chemical equilibrium in effusive beam sources of the heterogeneous reaction type

    International Nuclear Information System (INIS)

    Hildenbrand, D.L.

    1979-01-01

    Effusive beam sources derived from gas-solid reactions provide a very important pathway for widening the scope of high temperature thermodynamic studies, but the attainment of chemical equilibrium within these sources is problematical. Some of the underlying kinetic factors associated with the use of these sources are discussed. As one might expect, it is important to maximize the ratio of reactive surface area to exit orifice area. Equilibrium seems to be achieved more readily among the products of gas-solid reactions than among reactant and products, as suggested by the quasi-equilibrium model. Some experiences with the use of heterogeneous reaction sources are described, and two definitive tests for the establishment of equilibrium are outlined

  16. Antibiotic Algae by Chemical Surface Engineering.

    Science.gov (United States)

    Kerschgens, Isabel P; Gademann, Karl

    2018-03-02

    Chemical cell-surface engineering is a tool for modifying and altering cellular functions. Herein, we report the introduction of an antibiotic phenotype to the green alga Chlamydomonas reinhardtii by chemically modifying its cell surface. Flow cytometry and confocal microscopy studies demonstrated that a hybrid of the antibiotic vancomycin and a 4-hydroxyproline oligomer binds reversibly to the cell wall without affecting the viability or motility of the cells. The modified cells were used to inhibit bacterial growth of Gram-positive Bacillus subtilis cultures. Delivery of the antibiotic from the microalgae to the bacterial cells was verified by microscopy. Our studies provide compelling evidence that 1) chemical surface engineering constitutes a useful tool for the introduction of new, previously unknown functionality, and 2) living microalgae can serve as new platforms for drug delivery. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Surface chemical problems in coal flotation

    Science.gov (United States)

    Taylor, S. R.; Miller, K. J.; Deurbrouck, A. W.

    1981-02-01

    As the use of coal increases and more fine material is produced by mining and processing, the need for improved methods of coal beneficiation increases. While flotation techniques can help meet these needs, the technique is beset with many problems. These problems involve surface chemical and interfacial properties of the coal-mineral-water slurry systems used in coal flotation. The problems associated with coal flotation include non-selectivity, inefficient reagent utilization, and excessive variablity of results. These problems can be broadely classified as a lack of predictability. The present knowledge of coal flotation is not sufficient, in terms of surface chemical parameters, to allow prediction of the flotation response of a given coal. In this paper, some of the surface chemical properties of coal and coal minerals that need to be defined will be discussed in terms of the problems noted above and their impact on coal cleaning.

  18. Simple heterogeneity parametrization for sea surface temperature and chlorophyll

    Science.gov (United States)

    Skákala, Jozef; Smyth, Timothy J.

    2016-06-01

    Using satellite maps this paper offers a complex analysis of chlorophyll & SST heterogeneity in the shelf seas around the southwest of the UK. The heterogeneity scaling follows a simple power law and is consequently parametrized by two parameters. It is shown that in most cases these two parameters vary only relatively little with time. The paper offers a detailed comparison of field heterogeneity between different regions. How much heterogeneity is in each region preserved in the annual median data is also determined. The paper explicitly demonstrates how one can use these results to calculate representative measurement area for in situ networks.

  19. Continuous-Flow Processes in Heterogeneously Catalyzed Transformations of Biomass Derivatives into Fuels and Chemicals

    Directory of Open Access Journals (Sweden)

    Antonio A. Romero

    2012-07-01

    Full Text Available Continuous flow chemical processes offer several advantages as compared to batch chemistries. These are particularly relevant in the case of heterogeneously catalyzed transformations of biomass-derived platform molecules into valuable chemicals and fuels. This work is aimed to provide an overview of key continuous flow processes developed to date dealing with a series of transformations of platform chemicals including alcohols, furanics, organic acids and polyols using a wide range of heterogeneous catalysts based on supported metals, solid acids and bifunctional (metal + acidic materials.

  20. Imaging near-surface heterogeneities by natural migration of backscattered surface waves: Field data test

    KAUST Repository

    Liu, Zhaolun; AlTheyab, Abdullah; Hanafy, Sherif M.; Schuster, Gerard T.

    2017-01-01

    We have developed a methodology for detecting the presence of near-surface heterogeneities by naturally migrating backscattered surface waves in controlled-source data. The near-surface heterogeneities must be located within a depth of approximately one-third the dominant wavelength λ of the strong surface-wave arrivals. This natural migration method does not require knowledge of the near-surface phase-velocity distribution because it uses the recorded data to approximate the Green’s functions for migration. Prior to migration, the backscattered data are separated from the original records, and the band-passed filtered data are migrated to give an estimate of the migration image at a depth of approximately one-third λ. Each band-passed data set gives a migration image at a different depth. Results with synthetic data and field data recorded over known faults validate the effectiveness of this method. Migrating the surface waves in recorded 2D and 3D data sets accurately reveals the locations of known faults. The limitation of this method is that it requires a dense array of receivers with a geophone interval less than approximately one-half λ.

  1. Imaging near-surface heterogeneities by natural migration of backscattered surface waves: Field data test

    KAUST Repository

    Liu, Zhaolun

    2017-03-06

    We have developed a methodology for detecting the presence of near-surface heterogeneities by naturally migrating backscattered surface waves in controlled-source data. The near-surface heterogeneities must be located within a depth of approximately one-third the dominant wavelength λ of the strong surface-wave arrivals. This natural migration method does not require knowledge of the near-surface phase-velocity distribution because it uses the recorded data to approximate the Green’s functions for migration. Prior to migration, the backscattered data are separated from the original records, and the band-passed filtered data are migrated to give an estimate of the migration image at a depth of approximately one-third λ. Each band-passed data set gives a migration image at a different depth. Results with synthetic data and field data recorded over known faults validate the effectiveness of this method. Migrating the surface waves in recorded 2D and 3D data sets accurately reveals the locations of known faults. The limitation of this method is that it requires a dense array of receivers with a geophone interval less than approximately one-half λ.

  2. Kinetics and mechanism of heterogeneous oxidation of sulfur dioxide by ozone on surface of calcium carbonate

    Directory of Open Access Journals (Sweden)

    L. Li

    2006-01-01

    Full Text Available Sulfate particles play a key role in the air quality and the global climate, but the heterogeneous formation mechanism of sulfates on surfaces of atmospheric particles is not well established. Carbonates, which act as a reactive component in mineral dust due to their special chemical properties, may contribute significantly to the sulfate formation by heterogeneous processes. This paper presents a study on the oxidation of SO2 by O3 on CaCO3 particles. Using Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS, the formation of sulfite and sulfate on the surface was identified, and the roles of O3 and water in oxidation processes were determined. The results showed that in the presence of O3, SO2can be oxidized to sulfate on the surface of CaCO3 particles. The reaction is first order in SO2 and zero order in O3. The reactive uptake coefficient for SO2 [(0.6–9.8×1014 molecule cm-3] oxidation by O3 [(1.2–12×1014 molecule cm-3] was determined to be (1.4±0.3×10-7 using the BET area as the reactive area and (7.7±1.6×10-4 using the geometric area. A two-stage mechanism that involves adsorption of SO2 followed by O3 oxidation is proposed and the adsorption of SO2 on the CaCO3 surface is the rate-determining step. The proposed mechanism can well explain the experiment results. The atmospheric implications were explored based on a box model calculation. It was found that the heterogeneous reaction might be an important pathway for sulfate formation in the atmosphere.

  3. Cell behaviour on chemically microstructured surfaces

    International Nuclear Information System (INIS)

    Magnani, Agnese; Priamo, Alfredo; Pasqui, Daniela; Barbucci, Rolando

    2003-01-01

    Micropatterned surfaces with different chemical topographies were synthesised in order to investigate the influence of surface chemistry and topography on cell behaviour. The microstructured materials were synthesised by photoimmobilising natural Hyaluronan (Hyal) and its sulphated derivative (HyalS), both adequately functionalised with a photorective moiety, on glass substrates. Four different grating patterns (10, 25, 50 and 100 μm) were used to pattern the hyaluronan. The micropatterned samples were analysed by Secondary Ions Mass Spectrometry, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy to investigate the chemistry and the topography of the surfaces. The spectroscopic and microscopic analysis of the microstructured surfaces revealed that the photoimmobilisation process was successful, demonstrating that the photomask patterns were well reproduced on the sample surface. The influence of chemical topographies on the cell behaviour was then analysed. Human and 3T3 fibroblasts, bovine aortic and human (HGTFN line) endothelial cells were used and their behaviour on the micropatterned surfaces was analysed in terms of adhesion, proliferation, locomotion and orientation. Both chemical and topographical controls were found to be important for cell guidance. By decreasing the stripe dimensions, a more fusiform shape of cell was observed. At the same time, the cell locomotion and orientation parallel to the structure increased. However, differences in cell behaviour were detected according to both cell type and micropattern dimensions

  4. Substrate Vibrations as Promoters of Chemical Reactivity on Metal Surfaces.

    Science.gov (United States)

    Campbell, Victoria L; Chen, Nan; Guo, Han; Jackson, Bret; Utz, Arthur L

    2015-12-17

    Studies exploring how vibrational energy (Evib) promotes chemical reactivity most often focus on molecular reagents, leaving the role of substrate atom motion in heterogeneous interfacial chemistry underexplored. This combined theoretical and experimental study of methane dissociation on Ni(111) shows that lattice atom motion modulates the reaction barrier height during each surface atom's vibrational period, which leads to a strong variation in the reaction probability (S0) with surface temperature (Tsurf). State-resolved beam-surface scattering studies at Tsurf = 90 K show a sharp threshold in S0 at translational energy (Etrans) = 42 kJ/mol. When Etrans decreases from 42 kJ/mol to 34 kJ/mol, S0 decreases 1000-fold at Tsurf = 90 K, but only 2-fold at Tsurf = 475 K. Results highlight the mechanism for this effect, provide benchmarks for DFT calculations, and suggest the potential importance of surface atom induced barrier height modulation in heterogeneously catalyzed reactions, particularly on structurally labile nanoscale particles and defect sites.

  5. Evaporation of liquids on chemically patterned surfaces

    NARCIS (Netherlands)

    Vieyra Salas, J.A.; Darhuber, A.A.

    2011-01-01

    We studied evaporation rates of volatile liquids deposited onto chemically patterned surfaces by means of experiments and numerical simulations. We quantified the influence of the droplet geometry, in particular circular, triangular, rectangular and square shapes, as well as the influence of contact

  6. Precise Chemical Analyses of Planetary Surfaces

    Science.gov (United States)

    Kring, David; Schweitzer, Jeffrey; Meyer, Charles; Trombka, Jacob; Freund, Friedemann; Economou, Thanasis; Yen, Albert; Kim, Soon Sam; Treiman, Allan H.; Blake, David; hide

    1996-01-01

    We identify the chemical elements and element ratios that should be analyzed to address many of the issues identified by the Committee on Planetary and Lunar Exploration (COMPLEX). We determined that most of these issues require two sensitive instruments to analyze the necessary complement of elements. In addition, it is useful in many cases to use one instrument to analyze the outermost planetary surface (e.g. to determine weathering effects), while a second is used to analyze a subsurface volume of material (e.g., to determine the composition of unaltered planetary surface material). This dual approach to chemical analyses will also facilitate the calibration of orbital and/or Earth-based spectral observations of the planetary body. We determined that in many cases the scientific issues defined by COMPLEX can only be fully addressed with combined packages of instruments that would supplement the chemical data with mineralogic or visual information.

  7. The kinetics of nonequilibrium chain plasma-chemical oxidation in heterogeneous media

    International Nuclear Information System (INIS)

    Deminskii, M.A.; Potapkin, B.V.; Rusanov, V.D.

    1994-01-01

    The kinetics of oxidation of low-impurity components in air mixtures under heterogeneous conditions was studied. The principal kinetic features of the process were determined on the basis of theoretical analysis of plasma-chemical oxidation in heterogeneous media. The analysis also showed that low concentrations of impurities in liquid aerosol particles can be efficiently oxidized via a chain process induced by reactive species formed in the gas

  8. To Model Chemical Reactivity in Heterogeneous Emulsions, Think Homogeneous Microemulsions.

    Science.gov (United States)

    Bravo-Díaz, Carlos; Romsted, Laurence Stuart; Liu, Changyao; Losada-Barreiro, Sonia; Pastoriza-Gallego, Maria José; Gao, Xiang; Gu, Qing; Krishnan, Gunaseelan; Sánchez-Paz, Verónica; Zhang, Yongliang; Dar, Aijaz Ahmad

    2015-08-25

    Two important and unsolved problems in the food industry and also fundamental questions in colloid chemistry are how to measure molecular distributions, especially antioxidants (AOs), and how to model chemical reactivity, including AO efficiency in opaque emulsions. The key to understanding reactivity in organized surfactant media is that reaction mechanisms are consistent with a discrete structures-separate continuous regions duality. Aggregate structures in emulsions are determined by highly cooperative but weak organizing forces that allow reactants to diffuse at rates approaching their diffusion-controlled limit. Reactant distributions for slow thermal bimolecular reactions are in dynamic equilibrium, and their distributions are proportional to their relative solubilities in the oil, interfacial, and aqueous regions. Our chemical kinetic method is grounded in thermodynamics and combines a pseudophase model with methods for monitoring the reactions of AOs with a hydrophobic arenediazonium ion probe in opaque emulsions. We introduce (a) the logic and basic assumptions of the pseudophase model used to define the distributions of AOs among the oil, interfacial, and aqueous regions in microemulsions and emulsions and (b) the dye derivatization and linear sweep voltammetry methods for monitoring the rates of reaction in opaque emulsions. Our results show that this approach provides a unique, versatile, and robust method for obtaining quantitative estimates of AO partition coefficients or partition constants and distributions and interfacial rate constants in emulsions. The examples provided illustrate the effects of various emulsion properties on AO distributions such as oil hydrophobicity, emulsifier structure and HLB, temperature, droplet size, surfactant charge, and acidity on reactant distributions. Finally, we show that the chemical kinetic method provides a natural explanation for the cut-off effect, a maximum followed by a sharp reduction in AO efficiency with

  9. Influence of chemical heterogeneity of solid solutions on brittleness in chromium steels

    International Nuclear Information System (INIS)

    Madyanov, S.A.; Sedov, V.K.; Apaev, B.A.

    1985-01-01

    The role of chemical heterogeneity of solid solutions in formation of mechanical properties of Kh09, Kh15, Kh20, Kh19N2G5T chromium steels has been investigated. It is established that besides the known regioA of chemical heterogeneity in the vicinity of 475 deg C exists a high-temperature region (1000-1050 deg C), where maximum heteroge=- neity of chromium distribution in solid solution, is observed. Both types of chemical heterogeneity cause essential hardening of alloys, which becomes apparent in abrupt change of capability to microplastic deformation The mechanism of occurrence of the given temper brittleness consists in carbon diffusion into microvolunes enriched in carbide-forming elements

  10. Chemically resistant, biocompatible and microstructured surface protection

    International Nuclear Information System (INIS)

    Hoffmann, W.; Pham, M.T.; Hueller, J.

    1984-01-01

    Subject of the invention are chemicallly resistant, biocompatible, and microstructured surface protective coatings of electronic elements and sensors including chemical sensors. Such coatings consist of a radiation-modified organic substance made of a microlithographic material. Modification can be achieved by irradiation with ions, atoms or molecules having an energy between 1 KeV and 1 MeV and a flux between 10 13 and 10 18 particles per cm 2

  11. Topology in isotopic multispace and origin of mantle chemical heterogeneities

    International Nuclear Information System (INIS)

    Allegre, C.J.; Hamelin, B.; Provost, A.; Dupre, B.

    1987-01-01

    In this paper we present a simple technique for multidimensional treatment of isotopic data, which allows a global and rigorous correlation between the various radiogenic tracers. This technique is based on the determination of eigenvectors of the data matrix, allowing a geometric description of the inertia ellipsoid corresponding to the cluster of experimental data points. The relationships between the various sets of samples can be analyzed using the projections on the main elongation planes. When processing the Pb-Sr-Nd data for the oceanic mantle (OIB+MORB) with this technique we find that at least four different end-members are needed to define the 'mantle array' which thus cannot be a plane surface. Samples from island arcs (IAB) show the contribution of a component clearly out of the oceanic domain and very similar to terrigenous sediments. Continental tholeiites (CFB) also show some sort of contamination (but distinct from that of IAB) by the continental crust. They also show a domain overlapping with that of the oceanic islands corresponding to the compositions of the 'Dupal anomaly'. Multispace analysis also permits a rigorous comparison of relationships between the various isotopic tracers. In particular, we demonstrate that a U-Pb fractionation independent from the correlated Sr-Nd, Th-U and Th-Sr ones does exist. Consequently, a three-dimensional analysis performed only with lead isotopes yields by itself the main information that can be inferred from the five Pb-Sr-Nd dimensions. Helium also yields independent information decoupled with respect to the other tracers, adding one fifth end-member (Loihi, Hawaii islands) to the OIB+MORB array. (orig.)

  12. A Simple Approach for Local Contact Angle Determination on a Heterogeneous Surface

    KAUST Repository

    Wu, Jinbo

    2011-05-17

    We report a simple approach for measuring the local contact angle of liquids on a heterogeneous surface consisting of intersected hydrophobic and hydrophilic patch arrays, specifically by employing confocal microscopy and the addition of a very low concentration of Rhodamine-B (RB) (2 × 10 -7 mol/L). Interestingly, RB at that concentration was found to be aggregated at the air-liquid and solid (hydrophobic patch only)-liquid interfaces, which helps us to distinguish the liquid and solid interfaces as well as hydrophobic and hydrophilic patches by their corresponding fluorescent intensities. From the measured local contact angles, the line tension can be easily derived and the value is found to be (-2.06-1.53) × 10-6 J/m. © 2011 American Chemical Society.

  13. Surface heterogeneity impacts on boundary layer dynamics via energy balance partitioning

    Science.gov (United States)

    The role of land-atmosphere interactions under heterogeneous surface conditions is investigated in order to identify mechanisms responsible for altering surface heat and moisture fluxes. Twelve coupled land surface – large eddy simulation scenarios with four different length scales of surface variab...

  14. Surface chemical reactions probed with scanning force microscopy

    NARCIS (Netherlands)

    Werts, M.P L; van der Vegte, E.W.; Hadziioannou, G

    1997-01-01

    In this letter we report the study of surface chemical reactions with scanning force microscopy (SFM) with chemical specificity. Using chemically modified SFM probes, we can determine the local surface reaction conversion during a chemical surface modification. The adhesion forces between a

  15. Distinction of heterogeneity on Au nanostructured surface based on phase contrast imaging of atomic force microscopy

    International Nuclear Information System (INIS)

    Jung, Mi; Choi, Jeong-Woo

    2010-01-01

    The discrimination of the heterogeneity of different materials on nanostructured surfaces has attracted a great deal of interest in biotechnology as well as nanotechnology. Phase imaging through tapping mode of atomic force microscopy (TMAFM) can be used to distinguish the heterogeneity on a nanostructured surface. Nanostructures were fabricated using anodic aluminum oxide (AAO). An 11-mercaptoundecanoic acid (11-MUA) layer adsorbed onto the Au nanodots through self-assembly to improve the bio-compatibility. The Au nanostructures that were modified with 11-MUA and the concave surfaces were investigated using the TMAFM phase images to compare the heterogeneous and homogeneous nanostructured surfaces. Although the topography and phase images were taken simultaneously, the images were different. Therefore, the contrast in the TMAFM phase images revealed the different compositional materials on the heterogeneous nanostructure surface.

  16. Effect of chemical heterogeneity on photoluminescence of graphite oxide treated with S-/N-containing modifiers

    Science.gov (United States)

    Ebrahim, Amani M.; Rodríguez-Castellón, Enrique; Montenegro, José María; Bandosz, Teresa J.

    2015-03-01

    Graphite oxide (GO) obtained using Hummers method was modified by hydrothermal treatment either with sulfanilic acid or polystyrene (3-ammonium) sulfonate at 100 °C or 85 °C, respectively. Both modifiers contain sulfur in the oxidized forms and nitrogen in the reduced forms. The materials were characterized using FTIR, XPS, thermal analysis, potentiometric titration and SEM. Their photoluminescent properties and their alteration with an addition of Ag+ were also measured. As a result of these modifications nitrogen was introduced to the graphene layers as amines, imides, amides, and sulfur as sulfones and sulfonic acids. Moreover, the presence of polyaniline was detected. This significantly affected the polarity, acid-base character, and conductivity of the materials. Apparently carboxylic groups of GO were involved in the surface reactions. The modified GOs lost their layered structure and the modifications resulted in the high degree of structural and chemical heterogeneity. Photoluminescence in visible light was recorded and linked to the presence of heteroatoms. For the polystyrene (3-ammonium) sulfonate modified sample addition of Ag+ quenched the photoluminescence at low wavelength showing sensitivity as a possible optical detector. No apparent effect was found for the sulfanilic acid modified sample.

  17. Practical chemical analysis of Pt and Pd based heterogeneous catalysts with hard X-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Yoshikawa, H., E-mail: YOSHIKAWA.Hideki@nims.go.jp [National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Matolínová, I.; Matolín, V. [Charles University in Prague, Faculty of Mathematics and Physics, V Holešovičkách 2, 18000 Prague 8 (Czech Republic)

    2013-10-15

    Highlights: •Hard X-ray photoelectron spectroscopy (HAXPES) enables interface analysis of catalyst. •HAXPES enables overall analysis of porous film of Pt-doped CeO{sub 2} and related catalyst. •HAXPES enables analysis of trace elements for Pd and Pt{sub 3}Ni nanoparticle catalysts. -- Abstract: Interfacial properties including configuration, porosity, chemical states, and atomic diffusion greatly affect the performance of supported heterogeneous catalysts. Hard X-ray photoelectron spectroscopy (HAXPES) can be used to analyze the interfaces of heterogeneous catalysts because of its large information depth of more than 20 nm. We use HAXPES to examine Pt-doped CeO{sub 2} and related thin film catalysts evaporated on Si, carbon, and carbon nanotube substrates, because Pt-doped CeO{sub 2} has great potential as a noble metal-based heterogeneous catalyst for fuel cells. The HAXPES measurements clarify that the dopant material, substrate material, and surface pretreatment of substrate are important parameters that affect the interfacial properties of Pt-doped CeO{sub 2} and related thin film catalysts. Another advantage of HAXPES measurement of heterogeneous catalysts is that it can be used for chemical analysis of trace elements by detecting photoelectrons from deep core levels, which have large photoionization cross-sections in the hard X-ray region. We use HAXPES for chemical analysis of trace elements in Pd nanoparticle catalysts immobilized on sulfur-terminated substrates and Pt{sub 3}Ni nanoparticle catalysts enveloped by dendrimer molecules.

  18. Modelling the collective response of heterogeneous cell populations to stationary gradients and chemical signal relay

    Science.gov (United States)

    Pineda, M.; Eftimie, R.

    2017-12-01

    The directed motion of cell aggregates toward a chemical source occurs in many relevant biological processes. Understanding the mechanisms that control this complex behavior is of great relevance for our understanding of developmental biological processes and many diseases. In this paper, we consider a self-propelled particle model for the movement of heterogeneous subpopulations of chemically interacting cells towards an imposed stable chemical gradient. Our simulations show explicitly how self-organisation of cell populations (which could lead to engulfment or complete cell segregation) can arise from the heterogeneity of chemotactic responses alone. This new result complements current theoretical and experimental studies that emphasise the role of differential cell-cell adhesion on self-organisation and spatial structure of cellular aggregates. We also investigate how the speed of individual cell aggregations increases with the chemotactic sensitivity of the cells, and decreases with the number of cells inside the aggregates

  19. A Simple Approach for Local Contact Angle Determination on a Heterogeneous Surface

    KAUST Repository

    Wu, Jinbo; Zhang, Mengying; Wang, Xiang; Li, Shunbo; Wen, Weijia

    2011-01-01

    We report a simple approach for measuring the local contact angle of liquids on a heterogeneous surface consisting of intersected hydrophobic and hydrophilic patch arrays, specifically by employing confocal microscopy and the addition of a very low

  20. Resonant surface acoustic wave chemical detector

    Science.gov (United States)

    Brocato, Robert W.; Brocato, Terisse; Stotts, Larry G.

    2017-08-08

    Apparatus for chemical detection includes a pair of interdigitated transducers (IDTs) formed on a piezoelectric substrate. The apparatus includes a layer of adsorptive material deposited on a surface of the piezoelectric substrate between the IDTs, where each IDT is conformed, and is dimensioned in relation to an operating frequency and an acoustic velocity of the piezoelectric substrate, so as to function as a single-phase uni-directional transducer (SPUDT) at the operating frequency. Additionally, the apparatus includes the pair of IDTs is spaced apart along a propagation axis and mutually aligned relative to said propagation axis so as to define an acoustic cavity that is resonant to surface acoustic waves (SAWs) at the operating frequency, where a distance between each IDT of the pair of IDTs ranges from 100 wavelength of the operating frequency to 400 wavelength of the operating frequency.

  1. Internal and Surface Phenomena in Heterogenous Metal Combustion

    Science.gov (United States)

    Dreizin, Edward L.

    1997-01-01

    The phenomenon of gas dissolution in burning metals was observed in recent metal combustion studies, but it could not be adequately explained by the traditional metal combustion models. The research reported here addresses heterogeneous metal combustion with emphasis on the processes of oxygen penetration inside burning metal and its influence on the metal combustion rate, temperature history, and disruptive burning. The unique feature of this work is the combination of the microgravity environment with a novel micro-arc generator of monodispersed metal droplets, ensuring repeatable formation and ignition of uniform metal droplets with a controllable initial temperature and velocity. Burning droplet temperature is measured in real time with a three wavelength pyrometer. In addition, particles are rapidly quenched at different combustion times, cross-sectioned, and examined using SEM-based techniques to retrieve the internal composition history of burning metal particles. When the initial velocity of a spherical particle is nearly zero, the microgravity environment makes it possible to study the flame structure, the development of flame nonsymmetry, and correlation of the flame shape with the heterogeneous combustion processes.

  2. Accessible surface area from NMR chemical shifts

    Energy Technology Data Exchange (ETDEWEB)

    Hafsa, Noor E.; Arndt, David; Wishart, David S., E-mail: david.wishart@ualberta.ca [University of Alberta, Department of Computing Science (Canada)

    2015-07-15

    Accessible surface area (ASA) is the surface area of an atom, amino acid or biomolecule that is exposed to solvent. The calculation of a molecule’s ASA requires three-dimensional coordinate data and the use of a “rolling ball” algorithm to both define and calculate the ASA. For polymers such as proteins, the ASA for individual amino acids is closely related to the hydrophobicity of the amino acid as well as its local secondary and tertiary structure. For proteins, ASA is a structural descriptor that can often be as informative as secondary structure. Consequently there has been considerable effort over the past two decades to try to predict ASA from protein sequence data and to use ASA information (derived from chemical modification studies) as a structure constraint. Recently it has become evident that protein chemical shifts are also sensitive to ASA. Given the potential utility of ASA estimates as structural constraints for NMR we decided to explore this relationship further. Using machine learning techniques (specifically a boosted tree regression model) we developed an algorithm called “ShiftASA” that combines chemical-shift and sequence derived features to accurately estimate per-residue fractional ASA values of water-soluble proteins. This method showed a correlation coefficient between predicted and experimental values of 0.79 when evaluated on a set of 65 independent test proteins, which was an 8.2 % improvement over the next best performing (sequence-only) method. On a separate test set of 92 proteins, ShiftASA reported a mean correlation coefficient of 0.82, which was 12.3 % better than the next best performing method. ShiftASA is available as a web server ( http://shiftasa.wishartlab.com http://shiftasa.wishartlab.com ) for submitting input queries for fractional ASA calculation.

  3. Adhesion mapping of chemically modified and poly(ethylene oxide)-grafted glass surfaces.

    Science.gov (United States)

    Jogikalmath, G; Stuart, J K; Pungor, A; Hlady, V

    1999-08-01

    Two-dimensional mapping of the adhesion pull-off forces was used to study the origin of surface heterogeneity in the grafted poly(ethylene oxide) (PEO) layer. The variance of the pull-off forces measured over the μm-sized regions after each chemical step of modifying glass surfaces was taken to be a measure of the surface chemical heterogeneity. The attachment of γ-glycidoxypropyltrimethoxy silane (GPS) to glass decreased the pull-off forces relative to the clean glass and made the surface more uniform. The subsequent hydrolysis of the terminal epoxide groups resulted in a larger surface heterogeneity which was modeled by two populations of the terminal hydroxyl groups, each with its own distribution of adhesion forces and force variance. The activation of the hydroxyls with carbonyldiimmidazole (CDI) healed the surface and lowered its adhesion, however, the force variance remained rather large. Finally, the grafting of the α,ω-diamino poly(ethyleneoxide) chains to the CDI-activated glass largely eliminated adhesion except at a few discrete regions. The adhesion on the PEO grafted layer followed the Poisson distribution of the pull-off forces. With the exception of the glass surface, a correlation between the water contact angles and the mean pull-off forces measured with the Si(3)N(4) tip surfaces was found for all modified glass surfaces.

  4. Strain and Structure Heterogeneity in MoS2 Atomic Layers Grown by Chemical Vapour Deposition

    Science.gov (United States)

    2014-11-18

    cture heterogeneity in MoS2 atomiclayers grown by chemical vapour deposition 6. AUTHORS Zheng Liu, Matin Amani, Sina Najmaei, Quan Xu, Xiaolong Zou...deposition Zheng Liu1•2•3·*, Matin Amani4·*, Sina Najmaei5·*, Quan Xu6•7, Xiaolong Zou5, Wu Zhou8, Ting Yu9, Caiyu Qiu9, A Glen Birdwell4, Frank J. Crowne4

  5. Two Iron Complexes as Homogeneous and Heterogeneous Catalysts for the Chemical Fixation of Carbon Dioxide.

    Science.gov (United States)

    Karan, Chandan Kumar; Bhattacharjee, Manish

    2018-04-16

    Two new bimetallic iron-alkali metal complexes of amino acid (serine)-based reduced Schiff base ligand were synthesized and structurally characterized. Their efficacy as catalysts for the chemical fixation of carbon dioxide was explored. The heterogeneous version of the catalytic reaction was developed by the immobilization of these homogeneous bimetallic iron-alkali metal complexes in an anion-exchange resin. The resin-bound complexes can be used as recyclable catalysts up to six cycles.

  6. Particle-based modeling of heterogeneous chemical kinetics including mass transfer

    Science.gov (United States)

    Sengar, A.; Kuipers, J. A. M.; van Santen, Rutger A.; Padding, J. T.

    2017-08-01

    Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

  7. Particle-based modeling of heterogeneous chemical kinetics including mass transfer.

    Science.gov (United States)

    Sengar, A; Kuipers, J A M; van Santen, Rutger A; Padding, J T

    2017-08-01

    Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

  8. A new design of the LAPS land surface scheme for use over and through heterogeneous and non-heterogeneous surfaces: Numerical simulations and tests

    Science.gov (United States)

    Mihailovic, Dragutin T.; Lazic, Jelena; Leśny, Jacek; Olejnik, Janusz; Lalic, Branislava; Kapor, Darko; Cirisan, Ana

    2010-05-01

    Numerical simulations and tests with the recently redesigned land-air parameterization scheme (LAPS) are presented. In all experiments, supported either by one-point micrometeorological, 1D or 3D simulations, the attention has been directed to: (1) comparison of simulation outputs, expressing the energy transfer over and through heterogeneous and non-heterogeneous surfaces, versus observations and (2) analysis of uncertainties occurring in the solution of the energy balance equation at the land-air interface. To check the proposed method for aggregation of albedo, "propagating hole" sensitivity tests with LAPS over a sandstone rock grid cell have been performed with the forcing meteorological data for July 17, 1999 in Baxter site, Philadelphia (USA). Micrometeorological and biophysical measurements from the surface experiments conducted over crops and apple orchard in Serbia, Poland, Austria and France were used to test the operation of LAPS in calculating surface fluxes and canopy environment temperatures within and above plant covers of different densities. In addition, sensitivity tests with single canopy covers over the Central Europe region and comparison against the observations taken from SYNOP data using 3D simulations were made. Validation of LAPS performances over a solid surface has been done by comparison of 2 m air temperature observations against 5-day simulations over the Sahara Desert rocky ground using 3D model. To examine how realistically the LAPS simulates surface processes over a heterogeneous surface, we compared the air temperature measured at 2 m and that predicted by the 1D model with the LAPS as the surface scheme. Finally, the scheme behaviour over urban surface was tested by runs over different parts of a hypothetical urban area. The corresponding 1D simulations were carried out with an imposed meteorological dataset collected during HAPEX-MOBILHY experiment at Caumont (France). The quantities predicted by the LAPS compare well with the

  9. Pinning of the Contact Line during Evaporation on Heterogeneous Surfaces: Slowdown or Temporary Immobilization? Insights from a Nanoscale Study.

    Science.gov (United States)

    Zhang, Jianguo; Müller-Plathe, Florian; Leroy, Frédéric

    2015-07-14

    The question of the effect of surface heterogeneities on the evaporation of liquid droplets from solid surfaces is addressed through nonequilibrium molecular dynamics simulations. The mechanism behind contact line pinning which is still unclear is discussed in detail on the nanoscale. Model systems with the Lennard-Jones interaction potential were employed to study the evaporation of nanometer-sized cylindrical droplets from a flat surface. The heterogeneity of the surface was modeled through alternating stripes of equal width but two chemical types. The first type leads to a contact angle of 67°, and the other leads to a contact angle of 115°. The stripe width was varied between 2 and 20 liquid-particle diameters. On the surface with the narrowest stripes, evaporation occurred at constant contact angle as if the surface was homogeneous, with a value of the contact angle as predicted by the regular Cassie-Baxter equation. When the width was increased, the contact angle oscillated during evaporation between two boundaries whose values depend on the stripe width. The evaporation behavior was thus found to be a direct signature of the typical size of the surface heterogeneity domains. The contact angle both at equilibrium and during evaporation could be predicted from a local Cassie-Baxter equation in which the surface composition within a distance of seven fluid-particle diameters around the contact line was considered, confirming the local nature of the interactions that drive the wetting behavior of droplets. More importantly, we propose a nanoscale explanation of pinning during evaporation. Pinning should be interpreted as a drastic slowdown of the contact line dynamics rather than a complete immobilization of it during a transition between two contact angle boundaries.

  10. The heterogeneity of surfaces of magnetic Ap stars

    International Nuclear Information System (INIS)

    Hack, M.

    1977-01-01

    The observations of spectrum-variability and light-variability of Ap stars are reviewed. It is shown that these variations are interpretable as due to the changing aspect of the spotted surface as the star rotates. It is stressed that the geometry of the phenomenon is understood fairly well but the physics is very far from being understood. (Auth.)

  11. Heterogeneity of soil surface temperature induced by xerophytic ...

    Indian Academy of Sciences (India)

    The diurnal maximum and diurnal variations of soil surface temperatures under canopy vary strongly with different .... elevation of 1300 m above sea level), located at the southeastern fringe of ... cipitation is the only source of soil water replenish- ment. ...... 2001 Effects of nutrients and shade on tree-grass inter- actions in an ...

  12. Effect of Surface Diffusion on Transfer Processes in Heterogeneous Systems

    Czech Academy of Sciences Publication Activity Database

    Levdansky, V.V.; Smolík, Jiří; Moravec, Pavel

    2008-01-01

    Roč. 51, 9-10 (2008), s. 2471-2481 ISSN 0017-9310 R&D Projects: GA ČR GA101/05/2214; GA ČR(CZ) GA101/05/2524; GA ČR GA104/07/1093 Institutional research plan: CEZ:AV0Z40720504 Keywords : adsorption * gas flow * surface diffusion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.894, year: 2008

  13. Effect of surface physical and chemical properties on interaction and annihilation mechanisms of positrons

    International Nuclear Information System (INIS)

    Gol'danskij, V.I.; Levin, B.M.; Shantarovich, V.P.

    1982-01-01

    The possibility of positron use is illustrated, to investigate physical and chemical properties of the surface, by a number of effects found by the authors while studying the interaction and annihilation of β + -decay positrons in highly-dispersed heterogeneous systems positronium formation and ortho-para conversion close to the surface of metal particles in a dielectric matrix, postronium oxidation by proton centers on the surface of an aluminosilicate catalyst). The ways, new in the main, are revealed to study the properties of the surface by the technique of monochromatic positron beams of low energy

  14. A Review of Heterogeneous Photocatalysis for Water and Surface Disinfection

    Directory of Open Access Journals (Sweden)

    John Anthony Byrne

    2015-03-01

    Full Text Available Photo-excitation of certain semiconductors can lead to the production of reactive oxygen species that can inactivate microorganisms. The mechanisms involved are reviewed, along with two important applications. The first is the use of photocatalysis to enhance the solar disinfection of water. It is estimated that 750 million people do not have accessed to an improved source for drinking and many more rely on sources that are not safe. If one can utilize photocatalysis to enhance the solar disinfection of water and provide an inexpensive, simple method of water disinfection, then it could help reduce the risk of waterborne disease. The second application is the use of photocatalytic coatings to combat healthcare associated infections. Two challenges are considered, i.e., the use of photocatalytic coatings to give “self-disinfecting” surfaces to reduce the risk of transmission of infection via environmental surfaces, and the use of photocatalytic coatings for the decontamination and disinfection of medical devices. In the final section, the development of novel photocatalytic materials for use in disinfection applications is reviewed, taking account of materials, developed for other photocatalytic applications, but which may be transferable for disinfection purposes.

  15. Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations.

    Science.gov (United States)

    Glatz, Brittany; Sarupria, Sapna

    2018-01-23

    Ice is ubiquitous in nature, and heterogeneous ice nucleation is the most common pathway of ice formation. How surface properties affect the propensity to observe ice nucleation on that surface remains an open question. We present results of molecular dynamics studies of heterogeneous ice nucleation on model surfaces. The models surfaces considered emulate the chemistry of kaolinite, an abundant component of mineral dust. We investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching and hydrogen bonding are necessary but not sufficient conditions for observing ice nucleation at these surfaces. We correlate this behavior to the orientations sampled by the metastable supercooled water in contact with the surfaces. We find that ice is observed in cases where water molecules not only sample orientations favorable for bilayer formation but also do not sample unfavorable orientations. This distribution depends on both surface-water and water-water interactions and can change with subtle modifications to the surface properties. Our results provide insights into the diverse behavior of ice nucleation observed at different surfaces and highlight the complexity in elucidating heterogeneous ice nucleation.

  16. MONTE CARLO SIMULATIONS OF THE ADSORPTION OF DIMERS ON STRUCTURED HETEROGENEOUS SURFACES

    Directory of Open Access Journals (Sweden)

    Abreu C.R.A.

    2001-01-01

    Full Text Available The effect of surface topography upon the adsorption of dimer molecules is analyzed by means of grand canonical ensemble Monte Carlo simulations. Heterogeneous surfaces were assumed to consist of a square lattice containing active sites with two different energies. These were distributed in three different configurations: a random distribution of isolated sites; a random distribution of grains with four high-energy sites; and a random distribution of grains with nine high-energy sites. For the random distribution of isolated sites, the results are in good agreement with the molecular simulations performed by Nitta et al. (1997. In general, the comparison with theoretical models shows that the Nitta et al. (1984 isotherm presents good predictions of dimer adsorption both on homogeneous and heterogeneous surfaces with sites having small differences in characteristic energies. The molecular simulation results also show that the energy topology of the solid surfaces plays an important role in the adsorption of dimers on solids with large differences in site energies. For these cases, the Nitta et al. model does not describe well the data on dimer adsorption on random heterogeneous surfaces (grains with one acid site, but does describe reasonably well the adsorption of dimers on more patchwise heterogeneous surfaces (grains with nine acid sites.

  17. Estimation of the advection effects induced by surface heterogeneities in the surface energy budget

    NARCIS (Netherlands)

    Cuxart, J.; Wrenger, B.; Martinez-Villagrasa, D.; Reuder, J.; Jonassen, M.O.; Jimenez, M.A.; Lothon, M.; Hartogensis, O.K.; Dunnermann, J.; Conangla, L.; Garai, A.

    2016-01-01

    The effect of terrain heterogeneities in one-point
    measurements is a continuous subject of discussion. Here
    we focus on the order of magnitude of the advection term
    in the equation of the evolution of temperature as generated
    by documented terrain heterogeneities and we estimate

  18. Chemical surface tuning electrocatalysis of redox-active nanoparticles

    DEFF Research Database (Denmark)

    Zhu, Nan; Ulstrup, Jens; Chi, Qijin

    This work focuses on electron transfer (ET) and electrocatalysis of inorganic hybrid Prussian blue nanoparticles (PBNPs, 6 nm) immobilized on different chemical surfaces. Through surface self-assembly chemistry, we have enabled to tune chemical properties of the electrode surface. Stable immobili...

  19. Heterogeneous and Evolving Distributions of Pluto's Volatile Surface Ices

    Science.gov (United States)

    Grundy, William M.; Olkin, C. B.; Young, L. A.; Buie, M. W.; Young, E. F.

    2013-10-01

    We report observations of Pluto's 0.8 to 2.4 µm reflectance spectrum with IRTF/SpeX on 70 nights over the 13 years from 2001 to 2013. The spectra show numerous vibrational absorption features of simple molecules CH4, CO, and N2 condensed as ices on Pluto's surface. These absorptions are modulated by the planet's 6.39 day rotation period, enabling us to constrain the longitudinal distributions of the three ices. Absorptions of CO and N2 are concentrated on Pluto's anti-Charon hemisphere, unlike absorptions of less volatile CH4 ice that are offset by roughly 90° from the longitude of maximum CO and N2 absorption. In addition to the diurnal/longitudinal variations, the spectra show longer term trends. On decadal timescales, Pluto's stronger CH4 absorption bands have deepened, while the amplitude of their diurnal variation has diminished, consistent with additional CH4 absorption by high northern latitude regions rotating into view as the sub-Earth latitude moves north (as defined by the system's angular momentum vector). Unlike the CH4 absorptions, Pluto's CO and N2 absorptions are declining over time, suggesting more equatorial or southerly distributions of those species. The authors gratefully thank the staff of IRTF for their tremendous assistance over the dozen+ years of this project. The work was funded in part by NSF grants AST-0407214 and AST-0085614 and NASA grants NAG5-4210 and NAG5-12516.

  20. Effects of physical and chemical heterogeneity on water-quality samples obtained from wells

    Science.gov (United States)

    Reilly, Thomas E.; Gibs, Jacob

    1993-01-01

    Factors that affect the mass of chemical constituents entering a well include the distributions of flow rate and chemical concentrations along and near the screened or open section of the well. Assuming a layered porous medium (with each layer being characterized by a uniform hydraulic conductivity and chemical concentration), a knowledge of the flow from each layer along the screened zone and of the chemical concentrations in each layer enables the total mass entering the well to be determined. Analyses of hypothetical systems and a site at Galloway, NJ, provide insight into the temporal variation of water-quality data observed when withdrawing water from screened wells in heterogeneous ground-water systems.The analyses of hypothetical systems quantitatively indicate the cause-and-effect relations that cause temporal variability in water samples obtained from wells. Chemical constituents that have relatively uniform concentrations with depth may not show variations in concentrations in the water discharged from a well after the well is purged (evacuation of standing water in the well casing). However, chemical constituents that do not have uniform concentrations near the screened interval of the well may show variations in concentrations in the well discharge water after purging because of the physics of ground-water flow in the vicinity of the screen.Water-quality samples were obtained through time over a 30 minute period from a site at Galloway, NJ. The water samples were analyzed for aromatic hydrocarbons, and the data for benzene, toluene, and meta+para xylene were evaluated for temporal variations. Samples were taken from seven discrete zones, and the flow-weighted concentrations of benzene, toluene, and meta+para xylene all indicate an increase in concentration over time during pumping. These observed trends in time were reproduced numerically based on the estimated concentration distribution in the aquifer and the flow rates from each zone.The results of

  1. Next-Generation Catalysis for Renewables: Combining Enzymatic with Inorganic Heterogeneous Catalysis for Bulk Chemical Production

    DEFF Research Database (Denmark)

    Vennestrøm, Peter Nicolai Ravnborg; Christensen, C.H.; Pedersen, S.

    2010-01-01

    chemical platform under different conditions than those conventionally employed. Indeed, new process and catalyst concepts need to be established. Both enzymatic catalysis (biocatalysis) and heterogeneous inorganic catalysis are likely to play a major role and, potentially, be combined. One type...... of combination involves one-pot cascade catalysis with active sites from bio- and inorganic catalysts. In this article the emphasis is placed specifically on oxidase systems involving the coproduction of hydrogen peroxide, which can be used to create new in situ collaborative oxidation reactions for bulk...

  2. Beyond Cassie equation: Local structure of heterogeneous surfaces determines the contact angles of microdroplets

    Science.gov (United States)

    Zhang, Bo; Wang, Jianjun; Liu, Zhiping; Zhang, Xianren

    2014-01-01

    The application of Cassie equation to microscopic droplets is recently under intense debate because the microdroplet dimension is often of the same order of magnitude as the characteristic size of substrate heterogeneities, and the mechanism to describe the contact angle of microdroplets is not clear. By representing real surfaces statistically as an ensemble of patterned surfaces with randomly or regularly distributed heterogeneities (patches), lattice Boltzmann simulations here show that the contact angle of microdroplets has a wide distribution, either continuous or discrete, depending on the patch size. The origin of multiple contact angles observed is ascribed to the contact line pinning effect induced by substrate heterogeneities. We demonstrate that the local feature of substrate structure near the contact line determines the range of contact angles that can be stabilized, while the certain contact angle observed is closely related to the contact line width. PMID:25059292

  3. Light-induced heterogeneous reactions of NO2 on indoor surfaces: How they affect the balance of nitrous acid

    Science.gov (United States)

    Gomez Alvarez, E.; Soergel, M.; Bassil, S.; Zetzsch, C.; Gligorovski, S.; Wortham, H.

    2011-12-01

    Nitrous acid (HONO) is an important indoor pollutant. The adverse health effects due to the formation of nitrosamines are well known. HONO acts as a nitrosating agent after wall reactions of HONO with nicotine [Sleiman et al., 2010]. Indoor air can be surprisingly rich in HONO (homes with fireplaces, stoves, gas heating and cooking) and also surfaces are abundant. High HONO concentrations have been measured in indoor environments, from the direct emissions and heterogeneous reactions of NO2 in darkness. However, the measured HONO concentrations do not correspond to the HONO levels determined by the models [Carslaw, 2007]. We have tested in a flow tube reactor on-line coupled to a NOx analyzer and a sensitive Long Path Absorption Photometry instrument, the behaviour of various indoor surfaces towards NO2 under simulated solar light irradiation (λ= 300-700 nm). Our study has allowed us to obtain a deeper knowledge on the mechanisms of heterogeneous formation of HONO, quantifying the dependence of HONO formation on behalf of NO2 concentration and relative humidity and the enhancement of HONO formation in the presence of light. Pyrex, acidic detergent, alkaline detergent, paint and lacquer were tested on behalf of their heterogeneous reactivity towards NO2 in the absence and in presence of light. The results obtained demonstrated that indoor surfaces are photo-chemically active under atmospherically relevant conditions. The strongly alkaline surfaces (such as certain types of detergent) show a strong long-term uptake capacity. However, other surfaces such as detergents with a more acidic character released HONO. In some cases such as paint and varnish, a strong HONO release with light was detected, which was significantly higher than that obtained over clean glass surfaces. Certain organics present on their composition could exert a photo-sensitizing effect that may explain their increased reactivity. Unfortunately, the final balance points towards an important net

  4. Multi-sensor remote sensing parameterization of heat fluxes over heterogeneous land surfaces

    NARCIS (Netherlands)

    Faivre, R.D.

    2014-01-01

    The parameterization of heat transfer by remote sensing, and based on SEBS scheme for turbulent heat fluxes retrieval, already proved to be very convenient for estimating evapotranspiration (ET) over homogeneous land surfaces. However, the use of such a method over heterogeneous landscapes (e.g.

  5. Prediction of Nanoparticle and Colloid Attachment on Unfavorable Mineral Surfaces Using Representative Discrete Heterogeneity.

    Science.gov (United States)

    Trauscht, Jacob; Pazmino, Eddy; Johnson, William P

    2015-09-01

    Despite several decades of research there currently exists no mechanistic theory to predict colloid attachment in porous media under environmental conditions where colloid-collector repulsion exists (unfavorable conditions for attachment). It has long been inferred that nano- to microscale surface heterogeneity (herein called discrete heterogeneity) drives colloid attachment under unfavorable conditions. Incorporating discrete heterogeneity into colloid-collector interaction calculations in particle trajectory simulations predicts colloid attachment under unfavorable conditions. As yet, discrete heterogeneity cannot be independently measured by spectroscopic or other approaches in ways directly relevant to colloid-surface interaction. This, combined with the fact that a given discrete heterogeneity representation will interact differently with differently sized colloids as well as different ionic strengths for a given sized colloid, suggests a strategy to back out representative discrete heterogeneity by a comparison of simulations to experiments performed across a range of colloid size, solution IS, and fluid velocity. This has recently been performed for interaction of carboxylate-modified polystyrene latex (CML) microsphere attachment to soda lime glass at pH 6.7 with NaCl electrolyte. However, extension to other surfaces, pH values, and electrolytes is needed. For this reason, the attachment of CML (0.25, 1.1, and 2.0 μm diameters) from aqueous suspension onto a variety of unfavorable mineral surfaces (soda lime glass, muscovite, and albite) was examined for pH values of 6.7 and 8.0), fluid velocities (1.71 × 10(-3) and 5.94 × 10(-3) m s(-1)), IS (6.0 and 20 mM), and electrolytes (NaCl, CaSO4, and multivalent mixtures). The resulting representative heterogeneities (heterodomain size and surface coverage, where heterodomain refers to nano- to microscale attractive domains) yielded colloid attachment predictions that were compared to predictions from existing

  6. Effective Wettability of Heterogenous Fracture Surfaces Using the Lattice-Boltzmann Method

    Science.gov (United States)

    E Santos, J.; Prodanovic, M.; Landry, C. J.

    2017-12-01

    Fracture walls in the subsurface are often structured by minerals of different composition (potentially further altered in contact with fluids during hydrocarbon extraction or CO2 sequestration), this yields in a heterogeneous wettability of the surface in contact with the fluids. The focus of our work is to study how surfaces presenting different mineralogy and roughness affect multiphase flow in fractures. Using the Shan-Chen model of the lattice-Boltzmann method (LBM) we define fluid interaction and surface attraction parameters to simulate a system of a wetting and a non-wetting fluid. In this work, we use synthetically created fractures presenting different arrangements of wetting and non-wetting patches, and with or without roughness; representative of different mineralogy, similar workflow can be applied to fractures extracted from X-ray microtomography images of fractures porous media. The results from the LBM simulations provide an insight on how the distribution of mineralogy and surface roughness are related with the observed macroscopic contact angle. We present a comparison between the published analytical models, and our results based on surface areas, spatial distribution and local fracture aperture. The understanding of the variables that affect the contact angle is useful for the comprehension of multiphase processes in naturally fractured reservoirs like primary oil production, enhanced oil recovery and CO2 sequestration. The macroscopic contact angle analytical equations for heterogeneous surfaces with variable roughness are no longer valid in highly heterogeneous systems; we quantify the difference thus offering an alternative to analytical models.

  7. Understanding and exploiting nanoscale surface heterogeneity for particle and cell manipulation

    Science.gov (United States)

    Kalasin, Surachate

    This thesis explores the impact of surface heterogeneities on colloidal interactions and translates concepts to biointerfacial systems, for instance, microfluidic and biomedical devices. The thesis advances a model system, originally put forth by Kozlova: Tunable electrostatic surface heterogeneity is produced by adsorbing small amounts of cationic polyelectrolyte on a silica flat. The resulting positive electrostatic patches possess a density that is tuned from a saturated carpet down to average spacings on the order of a few hundred nanometers. At these length-scales, multiple adhesive elements (from tens to thousands) are present in the area of contact between a particle and a surface, a distinguishing feature of the thesis. Much of the literature addressing surface "heterogeneity" engineers surfaces with micron-scale features, almost always larger than the contact area between a particle and a second surface. With a nanoscale heterogeneity model, this thesis reports and quantitatively explains particle interaction behavior not typical of homogeneous interfaces. This includes (1) an adhesion threshold, a minimum average surface density of cationic patches needed for particle capture, (previously observed by Kozlova); (2) a crossover, from salt-destabilized to salt-stabilized interactions between heterogeneous surfaces with net-negative charge; (3) a shift of the adhesion threshold with shear, reducing adhesion; (4) a crossover from shear-enhanced to shear-hindered particle adhesion; (5) a range of surface compositions and processing parameters that sustain particle rolling; and (6) conditions where particles arrest immediately on contact. Through variations in ionic strength and particle size, the particle-surface contact area is systematically varied relative to the heterogeneity lengthscale. This provides a semi-quantitative explanation for the shifting of the adhesion threshold, in terms of the statistical probability of a particle being able to find a

  8. The influence of idealized surface heterogeneity on virtual turbulent flux measurements

    Science.gov (United States)

    De Roo, Frederik; Mauder, Matthias

    2018-04-01

    The imbalance of the surface energy budget in eddy-covariance measurements is still an unsolved problem. A possible cause is the presence of land surface heterogeneity, which affects the boundary-layer turbulence. To investigate the impact of surface variables on the partitioning of the energy budget of flux measurements in the surface layer under convective conditions, we set up a systematic parameter study by means of large-eddy simulation. For the study we use a virtual control volume approach, which allows the determination of advection by the mean flow, flux-divergence and storage terms of the energy budget at the virtual measurement site, in addition to the standard turbulent flux. We focus on the heterogeneity of the surface fluxes and keep the topography flat. The surface fluxes vary locally in intensity and these patches have different length scales. Intensity and length scales can vary for the two horizontal dimensions but follow an idealized chessboard pattern. Our main focus lies on surface heterogeneity of the kilometer scale, and one order of magnitude smaller. For these two length scales, we investigate the average response of the fluxes at a number of virtual towers, when varying the heterogeneity length within the length scale and when varying the contrast between the different patches. For each simulation, virtual measurement towers were positioned at functionally different positions (e.g., downdraft region, updraft region, at border between domains, etc.). As the storage term is always small, the non-closure is given by the sum of the advection by the mean flow and the flux-divergence. Remarkably, the missing flux can be described by either the advection by the mean flow or the flux-divergence separately, because the latter two have a high correlation with each other. For kilometer scale heterogeneity, we notice a clear dependence of the updrafts and downdrafts on the surface heterogeneity and likewise we also see a dependence of the energy

  9. Effect of droplet size on the droplet behavior on the heterogeneous surface

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Ho Yeon; Son, Sung Wan; Ha, ManYeong [Pusan National University, Busan (Korea, Republic of); Park, Yong Gap [Pusan National University, Busan (Korea, Republic of)

    2017-06-15

    The characteristics of a three-dimensional hemispherical droplet on a heterogeneous surface were studied using the Lattice Boltzmann method (LBM). The hydrophilic surface has a hydrophobic part at the center. The hemispherical droplets are located at the center of the heterogeneous surface. According to the contact angles of hydrophilic and hydrophobic bottom surfaces, the droplet either separates or reaches a new equilibrium state. The separation time varies according to the change in droplet size, and it affects the status of droplet separation. The droplet separation behavior was investigated by analyzing the velocity vector around the phase boundary line. The shape and separation time of a droplet are determined by the contact angle of each surface. The speed of droplet separation increases as the difference in contact angle increases between the hydrophobic surface and hydrophilic surface. The separation status and the separation time of a droplet are also determined by the change of the droplet size. As the size of the droplet decreases, the effect of surface tension decreases, and the separation time of the droplet also decreases. On the other hand, as the droplet becomes larger, the effect of surface tension increases and the time required for the droplet to separate also increases.

  10. Atrazine degradation using chemical-free process of USUV: Analysis of the micro-heterogeneous environments and the degradation mechanisms

    International Nuclear Information System (INIS)

    Xu, L.J.; Chu, W.; Graham, Nigel

    2014-01-01

    Graphical abstract: - Highlights: • Two chemical-free AOP processes are combined to enhance atrazine degradation. • ATZ degradation in sonophotolytic process was analyzed using a previous proposed model. • The micro-bubble/liquid heterogeneous environments in sonolytic processes were investigated. • The salt effects on different sonolytic processes were examined. • ATZ degradation mechanisms were investigated and pathways were proposed. - Abstract: The effectiveness of sonolysis (US), photolysis (UV), and sonophotolysis (USUV) for the degradation of atrazine (ATZ) was investigated. An untypical kinetics analysis was found useful to describe the combined process, which is compatible to pseudo first-order kinetics. The heterogeneous environments of two different ultrasounds (20 and 400 kHz) were evaluated. The heterogeneous distribution of ATZ in the ultrasonic solution was found critical in determining the reaction rates at different frequencies. The presence of NaCl would promote/inhibit the rates by the growth and decline of “salting out” effect and surface tension. The benefits of combining these two processes were for the first time investigated from the aspect of promoting the intermediates degradation which were resistant in individual processes. UV caused a rapid transformation of ATZ to 2-hydroxyatrazine (OIET), which was insensitive to UV irradiation; however, US and USUV were able to degrade OIET and other intermediates through • OH attack. On the other hand, UV irradiation also could promote radical generation via H 2 O 2 decomposition, thereby resulting in less accumulation of more hydrophilic intermediates, which are difficult to degradation in the US process. Reaction pathways for ATZ degradation by all three processes are proposed. USUV achieved the greatest degree of ATZ mineralization with more than 60% TOC removed, contributed solely by the oxidation of side chains. Ammeline was found to be the only end-product in both US and USUV

  11. Atrazine degradation using chemical-free process of USUV: Analysis of the micro-heterogeneous environments and the degradation mechanisms

    Energy Technology Data Exchange (ETDEWEB)

    Xu, L.J., E-mail: xulijie827@gmail.com [Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong); Chu, W., E-mail: cewchu@polyu.edu.hk [Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon (Hong Kong); Graham, Nigel, E-mail: n.graham@imperial.ac.uk [Department of Civil and Environmental Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom)

    2014-06-30

    Graphical abstract: - Highlights: • Two chemical-free AOP processes are combined to enhance atrazine degradation. • ATZ degradation in sonophotolytic process was analyzed using a previous proposed model. • The micro-bubble/liquid heterogeneous environments in sonolytic processes were investigated. • The salt effects on different sonolytic processes were examined. • ATZ degradation mechanisms were investigated and pathways were proposed. - Abstract: The effectiveness of sonolysis (US), photolysis (UV), and sonophotolysis (USUV) for the degradation of atrazine (ATZ) was investigated. An untypical kinetics analysis was found useful to describe the combined process, which is compatible to pseudo first-order kinetics. The heterogeneous environments of two different ultrasounds (20 and 400 kHz) were evaluated. The heterogeneous distribution of ATZ in the ultrasonic solution was found critical in determining the reaction rates at different frequencies. The presence of NaCl would promote/inhibit the rates by the growth and decline of “salting out” effect and surface tension. The benefits of combining these two processes were for the first time investigated from the aspect of promoting the intermediates degradation which were resistant in individual processes. UV caused a rapid transformation of ATZ to 2-hydroxyatrazine (OIET), which was insensitive to UV irradiation; however, US and USUV were able to degrade OIET and other intermediates through • OH attack. On the other hand, UV irradiation also could promote radical generation via H{sub 2}O{sub 2} decomposition, thereby resulting in less accumulation of more hydrophilic intermediates, which are difficult to degradation in the US process. Reaction pathways for ATZ degradation by all three processes are proposed. USUV achieved the greatest degree of ATZ mineralization with more than 60% TOC removed, contributed solely by the oxidation of side chains. Ammeline was found to be the only end-product in both US

  12. The Role of Electronic Excitations on Chemical Reaction Dynamics at Metal, Semiconductor and Nanoparticle Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tully, John C. [Yale Univ., New Haven, CT (United States)

    2017-06-10

    Chemical reactions are often facilitated and steered when carried out on solid surfaces, essential for applications such as heterogeneous catalysis, solar energy conversion, corrosion, materials processing, and many others. A critical factor that can determine the rates and pathways of chemical reactions at surfaces is the efficiency and specificity of energy transfer; how fast does energy move around and where does it go? For reactions on insulator surfaces energy transfer generally moves in and out of vibrations of the adsorbed molecule and the underlying substrate. By contrast, on metal surfaces, metallic nanoparticles and semiconductors, another pathway for energy flow opens up, excitation and de-excitation of electrons. This so-called “nonadiabatic” mechanism often dominates the transfer of energy and can directly impact the course of a chemical reaction. Conventional computational methods such as molecular dynamics simulation do not account for this nonadiabatic behavior. The current DOE-BES funded project has focused on developing the underlying theoretical foundation and the computational methodology for the prediction of nonadiabatic chemical reaction dynamics at surfaces. The research has successfully opened up new methodology and new applications for molecular simulation. In particular, over the last three years, the “Electronic Friction” theory, pioneered by the PI, has now been developed into a stable and accurate computational method that is sufficiently practical to allow first principles “on-the-fly” simulation of chemical reaction dynamics at metal surfaces.

  13. Some approaches to the quantum-chemical theory of heterogeneous catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Zhidomirov, G M

    1977-09-01

    A discussion of mathematical methods, models, and parameters used in various quantum-chemical descriptions of chemisorption and reaction at silica and aluminosilicate surfaces covers the continuous-surface model, the cluster model of the surface, the variation of pseudo-atom parameters to reduce the magnitude of boundary effects in the cluster model, the calculation of individual bond strengths in chemisorbed molecules, dissociative adsorption, applications to adsorption on silica and aluminosilicates, the mechanisms of hydrogen-deuterium exchange, etc. Diagrams, graphs, and 42 references.

  14. Modeling heat dissipation at the nanoscale: an embedding approach for chemical reaction dynamics on metal surfaces.

    Science.gov (United States)

    Meyer, Jörg; Reuter, Karsten

    2014-04-25

    We present an embedding technique for metallic systems that makes it possible to model energy dissipation into substrate phonons during surface chemical reactions from first principles. The separation of chemical and elastic contributions to the interaction potential provides a quantitative description of both electronic and phononic band structure. Application to the dissociation of O2 at Pd(100) predicts translationally "hot" oxygen adsorbates as a consequence of the released adsorption energy (ca. 2.6 eV). This finding questions the instant thermalization of reaction enthalpies generally assumed in models of heterogeneous catalysis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. A statistical model for the wettability of surfaces with heterogeneous pore geometries

    Science.gov (United States)

    Brockway, Lance; Taylor, Hayden

    2016-10-01

    We describe a new approach to modeling the wetting behavior of micro- and nano-textured surfaces with varying degrees of geometrical heterogeneity. Surfaces are modeled as pore arrays with a Gaussian distribution of sidewall reentrant angles and a characteristic wall roughness. Unlike conventional wettability models, our model considers the fraction of a surface’s pores that are filled at any time, allowing us to capture more subtle dependences of a liquid’s apparent contact angle on its surface tension. The model has four fitting parameters and is calibrated for a particular surface by measuring the apparent contact angles between the surface and at least four probe liquids. We have calibrated the model for three heterogeneous nanoporous surfaces that we have fabricated: a hydrothermally grown zinc oxide, a film of polyvinylidene fluoride (PVDF) microspheres formed by spinodal decomposition, and a polytetrafluoroethylene (PTFE) film with pores defined by sacrificial polystyrene microspheres. These three surfaces show markedly different dependences of a liquid’s apparent contact angle on the liquid’s surface tension, and the results can be explained by considering geometric variability. The highly variable PTFE pores yield the most gradual variation of apparent contact angle with probe liquid surface tension. The PVDF microspheres are more regular in diameter and, although connected in an irregular manner, result in a much sharper transition from non-wetting to wetting behavior as surface tension reduces. We also demonstrate, by terminating porous zinc oxide with three alternative hydrophobic molecules, that a single geometrical model can capture a structure’s wetting behavior for multiple surface chemistries and liquids. Finally, we contrast our results with those from a highly regular, lithographically-produced structure which shows an extremely sharp dependence of wettability on surface tension. This new model could be valuable in designing and

  16. Semiconductor Sensors Application for Definition of Factor of Ozone Heterogeneous Destruction on Teflon Surface

    Directory of Open Access Journals (Sweden)

    Nataliya V. Finogenova

    2003-12-01

    Full Text Available In our paper we present the results of our research, which was carried out by means of semiconductor sensor techniques (SCS, which allowed evaluating heterogeneous death-rate of ozone (γ Teflon surface. When ozone concentration is near to Ambient Air Standard value, γ is assessed to be equal to 6,57*10-7. High technique response provide possibility to determine ozone contents in the air media and the percentage of ozone, decomposed on the communication surfaces and on the surfaces of installation in the low concentration range (1–100 ppb.

  17. Effects of surface roughness and electrokinetic heterogeneity on electroosmotic flow in microchannel

    Energy Technology Data Exchange (ETDEWEB)

    Masilamani, Kannan; Ganguly, Suvankar; Feichtinger, Christian; Bartuschat, Dominik; Rüde, Ulrich, E-mail: suva_112@yahoo.co.in [Department of Computer Science 10 University of Erlangen-Nuremberg, Cauerstr.11 91058 Erlangen (Germany)

    2015-06-15

    In this paper, a hybrid lattice-Boltzmann and finite-difference (LB-FD) model is applied to simulate the effects of three-dimensional surface roughness and electrokinetic heterogeneity on electroosmotic flow (EOF) in a microchannel. The lattice-Boltzmann (LB) method has been employed to obtain the flow field and a finite-difference (FD) method is used to solve the Poisson-Boltzmann (PB) equation for the electrostatic potential distribution. Numerical simulation of flow through a square cross-section microchannel with designed roughness is conducted and the results are critically analysed. The effects of surface heterogeneity on the electroosmotic transport are investigated for different roughness height, width, roughness interval spacing, and roughness surface potential. Numerical simulations reveal that the presence of surface roughness changes the nature of electroosmotic transport through the microchannel. It is found that the electroosmotic velocity decreases with the increase in roughness height and the velocity profile becomes asymmetric. For the same height of the roughness elements, the EOF velocity rises with the increase in roughness width. For the heterogeneously charged rough channel, the velocity profile shows a distinct deviation from the conventional plug-like flow pattern. The simulation results also indicate locally induced flow vortices which can be utilized to enhance the flow and mixing within the microchannel. The present study has important implications towards electrokinetic flow control in the microchannel, and can provide an efficient way to design a microfluidic system of practical interest. (paper)

  18. A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

    KAUST Repository

    Ng, Kim Choon; Burhan, Muhammad; Shahzad, Muhammad Wakil; Ismail, Azahar Bin

    2017-01-01

    The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

  19. A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

    KAUST Repository

    Ng, Kim Choon

    2017-08-31

    The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

  20. Nitric oxide reduction in coal combustion: role of char surface complexes in heterogeneous reactions

    Energy Technology Data Exchange (ETDEWEB)

    Arenillas, A.; Rubiera, F.; Pis, J.J. [Instituto Nacional del Carbon, CSIC, Oviedo (Spain)

    2002-12-15

    Nitrogen oxides are one of the major environmental problems arising from fossil fuel combustion. Coal char is relatively rich in nitrogen, and so this is an important source of nitrogen oxides during coal combustion. However, due to its carbonaceous nature, char can also reduce NO through heterogeneous reduction. The objectives of this work were on one hand to compare NO emissions from coal combustion in two different types of equipment and on the other hand to study the influence of char surface chemistry on NO reduction. A series of combustion tests were carried out in two different scale devices: a thermogravimetric analyzer coupled to a mass spectrometer and an FTIR (TG-MS-FTIR) and a fluidized bed reactor with on-line battery of analyzers. According to the results obtained, it can be said that the TG-MS-FTIR system provides valuable information about NO heterogeneous reduction and it can give good trends of the behaviour in other combustion equipments, i.e. fluidized bed combustors. It has been also pointed out that NO-char interaction depends to a large extent on temperature. In the low-temperature range NO heterogeneous reduction seems to be controlled by the evolution of surface complexes. In the high-temperature range a different mechanism is involved in NO heterogeneous reduction, the nature of the carbon matrix being a key factor. 27 refs., 6 figs., 1 tab.

  1. Nitric oxide reduction in coal combustion: role of char surface complexes in heterogeneous reactions.

    Science.gov (United States)

    Arenillas, Ana; Rubiera, Fernando; Pis, José J

    2002-12-15

    Nitrogen oxides are one of the major environmental problems arising from fossil fuel combustion. Coal char is relatively rich in nitrogen, and so this is an important source of nitrogen oxides during coal combustion. However, due to its carbonaceous nature, char can also reduce NO through heterogeneous reduction. The objectives of this work were on one hand to compare NO emissions from coal combustion in two different types of equipment and on the other hand to study the influence of char surface chemistry on NO reduction. A series of combustion tests were carried out in two different scale devices: a thermogravimetric analyzer coupled to a mass spectrometer and an FTIR (TG-MS-FTIR) and a fluidized bed reactor with an on line battery of analyzers. The TG-MS-FTIR system was also used to perform a specific study on NO heterogeneous reduction reactions using chars with different surface chemistry. According to the results obtained, it can be said that the TG-MS-FTIR system provides valuable information about NO heterogeneous reduction and it can give good trends of the behavior in other combustion equipments (i.e., fluidized bed combustors). It has been also pointed out that NO-char interaction depends to a large extent on temperature. In the low-temperature range (800 degrees C), a different mechanism is involved in NO heterogeneous reduction, the nature of the carbon matrix being a key factor.

  2. Heterogeneous Amyloid β-Sheet Polymorphs Identified on Hydrogen Bond Promoting Surfaces Using 2D SFG Spectroscopy.

    Science.gov (United States)

    Ho, Jia-Jung; Ghosh, Ayanjeet; Zhang, Tianqi O; Zanni, Martin T

    2018-02-08

    Two-dimensional sum-frequency generation spectroscopy (2D SFG) is used to study the structures of the pentapeptide FGAIL on hydrogen bond promoting surfaces. FGAIL is the most amyloidogenic portion of the human islet amyloid polypeptide (hIAPP or amylin). In the presence of a pure gold surface, FGAIL does not form ordered structures. When the gold is coated with a self-assembled monolayer of mercaptobenzoic acid (MBA), 2D SFG spectra reveal features associated with β-sheets. Also observed are cross peaks between the FGAIL peptides and the carboxylic acid groups of the MBA monolayer, indicating that the peptides are in close contact with the surface headgroups. In the second set of samples, FGAIL peptides chemically ligated to the MBA monolayer also exhibited β-sheet features but with a much simpler spectrum. From simulations of the experiments, we conclude that the hydrogen bond promoting surface catalyzes the formation of both parallel and antiparallel β-sheet structures with several different orientations. When ligated, parallel sheets with only a single orientation are the primary structure. Thus, this hydrogen bond promoting surface creates a heterogeneous distribution of polymorph structures, consistent with a concentration effect that allows nucleation of many different amyloid seeding structures. A single well-defined seed favors one polymorph over the others, showing that the concentrating influence of a membrane can be counterbalanced by factors that favor directed fiber growth. These experiments lay the foundation for the measurement and interpretation of β-sheet structures with heterodyne-detected 2D SFG spectroscopy. The results of this model system suggest that a heterogeneous distribution of polymorphs found in nature are an indication of nonselective amyloid aggregation whereas a narrow distribution of polymorph structures is consistent with a specific protein or lipid interaction that directs fiber growth.

  3. Chemical sensors based on surface charge transfer

    Science.gov (United States)

    Mohtasebi, Amirmasoud; Kruse, Peter

    2018-02-01

    The focus of this review is an introduction to chemiresistive chemical sensors. The general concept of chemical sensors is briefly introduced, followed by different architectures of chemiresistive sensors and relevant materials. For several of the most common systems, the fabrication of the active materials used in such sensors and their properties are discussed. Furthermore, the sensing mechanism, advantages, and limitations of each group of chemiresistive sensors are briefly elaborated. Compared to electrochemical sensors, chemiresistive sensors have the key advantage of a simpler geometry, eliminating the need for a reference electrode. The performance of bulk chemiresistors can be improved upon by using freestanding ultra-thin films (nanomaterials) or field effect geometries. Both of those concepts have also been combined in a gateless geometry, where charge transport though a percolation network of nanomaterials is modulated via adsorbate doping.

  4. Imaging near-surface heterogeneities by natural migration of backscattered surface waves

    KAUST Repository

    AlTheyab, Abdullah; Lin, Fan-Chi; Schuster, Gerard T.

    2016-01-01

    We present a migration method that does not require a velocity model to migrate backscattered surface waves to their projected locations on the surface. This migration method, denoted as natural migration, uses recorded Green's functions along

  5. Features of the kinetics of heterogeneous reactions with phase transformations on catalyst surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Berman, A D; Krylov, O V

    1978-01-01

    This paper presents a review of 41 bibliographic references to experiments on the adsorption of various gases (e.g., carbon monoxide, formic acid, ammonia, and oxygen) on metals (e.g., nickel, molybdenum, and platinum) and oxides covers observations of two-dimensional phases during adsorption; the kinetics of adsorption and catalysis associated with two-dimensional phase transitions; and several approximate models for describing the kinetics of heterogeneous catalysis which account for two-dimensional phase transformations on catalyst surfaces.

  6. Chemical and electrical passivation of Si(1 1 1) surfaces

    International Nuclear Information System (INIS)

    Tian Fangyuan; Yang Dan; Opila, Robert L.; Teplyakov, Andrew V.

    2012-01-01

    This paper compares the physical and chemical properties of hydrogen-passivated Si(1 1 1) single crystalline surfaces prepared by two main chemical preparation procedures. The modified RCA cleaning is commonly used to prepare atomically flat stable surfaces that are easily identifiable spectroscopically and are the standard for chemical functionalization of silicon. On the other hand electronic properties of these surfaces are sometimes difficult to control. A much simpler silicon surface preparation procedure includes HF dipping for a short period of time. This procedure yields an atomically rough surface, whose chemical identity is not well-defined. However, the surfaces prepared by this approach often exhibit exceptionally attractive electronic properties as determined by long charge carrier lifetimes. This work utilizes infrared spectroscopy and X-ray photoelectron spectroscopy to investigate chemical modification of the surfaces prepared by these two different procedures with PCl 5 (leading to surface chlorination) and with short- and long-alkyl-chain alkenes (1-decene and 1-octodecene, respectively) and follows the electronic properties of the starting surfaces produced by measuring charge-carrier lifetimes.

  7. Chemical and electrical passivation of Si(1 1 1) surfaces

    Science.gov (United States)

    Tian, Fangyuan; Yang, Dan; Opila, Robert L.; Teplyakov, Andrew V.

    2012-01-01

    This paper compares the physical and chemical properties of hydrogen-passivated Si(1 1 1) single crystalline surfaces prepared by two main chemical preparation procedures. The modified RCA cleaning is commonly used to prepare atomically flat stable surfaces that are easily identifiable spectroscopically and are the standard for chemical functionalization of silicon. On the other hand electronic properties of these surfaces are sometimes difficult to control. A much simpler silicon surface preparation procedure includes HF dipping for a short period of time. This procedure yields an atomically rough surface, whose chemical identity is not well-defined. However, the surfaces prepared by this approach often exhibit exceptionally attractive electronic properties as determined by long charge carrier lifetimes. This work utilizes infrared spectroscopy and X-ray photoelectron spectroscopy to investigate chemical modification of the surfaces prepared by these two different procedures with PCl5 (leading to surface chlorination) and with short- and long-alkyl-chain alkenes (1-decene and 1-octodecene, respectively) and follows the electronic properties of the starting surfaces produced by measuring charge-carrier lifetimes.

  8. Surface qualities after chemical-mechanical polishing on thin films

    International Nuclear Information System (INIS)

    Fu, Wei-En; Lin, Tzeng-Yow; Chen, Meng-Ke; Chen, Chao-Chang A.

    2009-01-01

    Demands for substrate and film surface planarizations significantly increase as the feature sizes of Integrated Circuit (IC) components continue to shrink. Chemical Mechanical Polishing (CMP), incorporating chemical and mechanical interactions to planarize chemically modified surface layers, has been one of the major manufacturing processes to provide global and local surface planarizations in IC fabrications. Not only is the material removal rate a concern, the qualities of the CMP produced surface are critical as well, such as surface finish, defects and surface stresses. This paper is to examine the CMP produced surface roughness on tungsten or W thin films based on the CMP process conditions. The W thin films with thickness below 1000 nm on silicon wafer were chemical-mechanical polished at different down pressures and platen speeds to produce different surface roughness. The surface roughness measurements were performed by an atomic force microscope (DI D3100). Results show that the quality of surface finish (R a value) is determined by the combined effects of down pressures and platen speeds. An optimal polishing condition is, then, possible for selecting the down pressures and platen speeds.

  9. Polyfluorinated chemicals in European surface waters, ground- and drinking waters

    NARCIS (Netherlands)

    Eschauzier, C.; de Voogt, P.; Brauch, H.-J.; Lange, F.T.; Knepper, T.P.; Lange, F.T.

    2012-01-01

    Polyfluorinated chemicals (PFCs), especially short chain fluorinated alkyl sulfonates and carboxylates, are ubiquitously found in the environment. This chapter aims at giving an overview of PFC concentrations found in European surface, ground- and drinking waters and their behavior during

  10. Chemical milling solution produces smooth surface finish on aluminum

    Science.gov (United States)

    Lorenzen, H. C.

    1966-01-01

    Elementary sulfur mixed into a solution of caustic soda and salts produces an etchant which will chemically mill end-grain surfaces on aluminum plate. This composition results in the least amount of thickness variation and pitting.

  11. Supersonic molecular beam experiments on surface chemical reactions.

    Science.gov (United States)

    Okada, Michio

    2014-10-01

    The interaction of a molecule and a surface is important in various fields, and in particular in complex systems like biomaterials and their related chemistry. However, the detailed understanding of the elementary steps in the surface chemistry, for example, stereodynamics, is still insufficient even for simple model systems. In this Personal Account, I review our recent studies of chemical reactions on single-crystalline Cu and Si surfaces induced by hyperthermal oxygen molecular beams and by oriented molecular beams, respectively. Studies of oxide formation on Cu induced by hyperthermal molecular beams demonstrate a significant role of the translational energy of the incident molecules. The use of hyperthermal molecular beams enables us to open up new chemical reaction paths specific for the hyperthermal energy region, and to develop new methods for the fabrication of thin films. On the other hand, oriented molecular beams also demonstrate the possibility of understanding surface chemical reactions in detail by varying the orientation of the incident molecules. The steric effects found on Si surfaces hint at new ways of material fabrication on Si surfaces. Controlling the initial conditions of incoming molecules is a powerful tool for finely monitoring the elementary step of the surface chemical reactions and creating new materials on surfaces. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Response of Moist Convection to Multi-scale Surface Flux Heterogeneity

    Science.gov (United States)

    Kang, S. L.; Ryu, J. H.

    2015-12-01

    We investigate response of moist convection to multi-scale feature of the spatial variation of surface sensible heat fluxes (SHF) in the afternoon evolution of the convective boundary layer (CBL), utilizing a mesoscale-domain large eddy simulation (LES) model. The multi-scale surface heterogeneity feature is analytically created as a function of the spectral slope in the wavelength range from a few tens of km to a few hundreds of m in the spectrum of surface SHF on a log-log scale. The response of moist convection to the κ-3 - slope (where κ is wavenumber) surface SHF field is compared with that to the κ-2 - slope surface, which has a relatively weak mesoscale feature, and the homogeneous κ0 - slope surface. Given the surface energy balance with a spatially uniform available energy, the prescribed SHF has a 180° phase lag with the latent heat flux (LHF) in a horizontal domain of (several tens of km)2. Thus, warmer (cooler) surface is relatively dry (moist). For all the cases, the same observation-based sounding is prescribed for the initial condition. For all the κ-3 - slope surface heterogeneity cases, early non-precipitating shallow clouds further develop into precipitating deep thunderstorms. But for all the κ-2 - slope cases, only shallow clouds develop. We compare the vertical profiles of domain-averaged fluxes and variances, and the contribution of the mesoscale and turbulence contributions to the fluxes and variances, between the κ-3 versus κ-2 slope cases. Also the cross-scale processes are investigated.

  13. Random Process Theory Approach to Geometric Heterogeneous Surfaces: Effective Fluid-Solid Interaction

    Science.gov (United States)

    Khlyupin, Aleksey; Aslyamov, Timur

    2017-06-01

    Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is considered as a model of random surface with high geometric roughness. We provide the general theory of effective coarse-grained fluid-solid potential by proper averaging of the free energy of fluid molecules which interact with the solid media. This procedure is largely based on the theory of random processes. We apply first passage time probability problem and assume the local Markov properties of random surfaces. General expression of effective fluid-solid potential is obtained. In the case of small surface irregularities analytical approximation for effective potential is proposed. Both amorphous materials with large surface roughness and crystalline solids with several types of fcc lattices are considered. It is shown that the wider the lattice spacing in terms of molecular diameter of the fluid, the more obtained potentials differ from classical ones. A comparison with published Monte-Carlo simulations was discussed. The work provides a promising approach to explore how the random geometric heterogeneity affects on thermodynamic properties of the fluids.

  14. Breast Cancer Redox Heterogeneity Detectable with Chemical Exchange Satruation Transfer (CEST) MRI

    Science.gov (United States)

    Cai, Kejia; Xu, He N.; Singh, Anup; Moon, Lily; Haris, Mohammad; Reddy, Ravinder; Li, Lin

    2014-01-01

    Purpose Tissue redox state is an important mediator of various biological processes in health and diseases such as cancer. Previously, we discovered that the mitochondrial redox state of ex vivo tissues detected by redox scanning (an optical imaging method) revealed interesting tumor redox state heterogeneity that could differentiate tumor aggressiveness. Because the noninvasive chemical exchange saturation transfer (CEST) MRI can probe the proton transfer and generate contrasts from endogenous metabolites, we aim to investigate if the in vivo CEST contrast is sensitive to proton transfer of the redox reactions so as to reveal the tissue redox states in breast cancer animal models. Procedures CEST MRI has been employed to characterize tumor metabolic heterogeneity and correlated with the redox states measured by the redox scanning in two human breast cancer mouse xenograft models, MDA-MB-231 and MCF-7. The possible biological mechanism on the correlation between the two imaging modalities was further investigated by phantom studies where the reductants and the oxidants of the representative redox reactions were measured. Results The CEST contrast is found linearly correlated with NADH concentration and the NADH redox ratio with high statistical significance, where NADH is the reduced form of nicotinamide adenine dinucleotide. The phantom studies showed that the reductants of the redox reactions have more CEST contrast than the corresponding oxidants, indicating that higher CEST effect corresponds to the more reduced redox state. Conclusions This preliminary study suggests that CEST MRI, once calibrated, might provide a novel noninvasive imaging surrogate for the tissue redox state and a possible diagnostic biomarker for breast cancer in the clinic. PMID:24811957

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

    International Nuclear Information System (INIS)

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

    2016-01-01

    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. (topical review)

  16. Advances in Surface Plasmon Resonance Imaging enable quantitative measurement of laterally heterogeneous coatings of nanoscale thickness

    Science.gov (United States)

    Raegen, Adam; Reiter, Kyle; Clarke, Anthony; Lipkowski, Jacek; Dutcher, John

    2013-03-01

    The Surface Plasmon Resonance (SPR) phenomenon is routinely exploited to qualitatively probe changes to the optical properties of nanoscale coatings on thin metallic surfaces, for use in probes and sensors. Unfortunately, extracting truly quantitative information is usually limited to a select few cases - uniform absorption/desorption of small biomolecules and films, in which a continuous ``slab'' model is a good approximation. We present advancements in the SPR technique that expand the number of cases for which the technique can provide meaningful results. Use of a custom, angle-scanning SPR imaging system, together with a refined data analysis method, allow for quantitative kinetic measurements of laterally heterogeneous systems. We first demonstrate the directionally heterogeneous nature of the SPR phenomenon using a directionally ordered sample, then show how this allows for the calculation of the average coverage of a heterogeneous sample. Finally, the degradation of cellulose microfibrils and bundles of microfibrils due to the action of cellulolytic enzymes will be presented as an excellent example of the capabilities of the SPR imaging system.

  17. Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters

    International Nuclear Information System (INIS)

    Imran, Muhammad; Hussain, Fayyaz; Ullah, Hafeez; Ahmad, Ejaz; Rashid, Muhammad; Ismail, Muhammad; Cai, Yongqing; Javid, M Arshad; Ahmad, S A

    2016-01-01

    Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters (hexamer and above), the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster, vacancy formation, filling, and shifting can be observed from the results. (paper)

  18. How Important Is Connectivity for Surface Water Fluxes? A Generalized Expression for Flow Through Heterogeneous Landscapes

    Science.gov (United States)

    Larsen, Laurel G.; Ma, Jie; Kaplan, David

    2017-10-01

    How important is hydrologic connectivity for surface water fluxes through heterogeneous floodplains, deltas, and wetlands? While significant for management, this question remains poorly addressed. Here we adopt spatial resistance averaging, based on channel and patch configuration metrics quantifiable from aerial imagery, to produce an upscaled rate law for discharge. Our model suggests that patch coverage largely controls discharge sensitivity, with smaller effects from channel connectivity and vegetation patch fractal dimension. However, connectivity and patch configuration become increasingly important near the percolation threshold and at low water levels. These effects can establish positive feedbacks responsible for substantial flow change in evolving landscapes (14-36%, in our Everglades case study). Connectivity also interacts with other drivers; flow through poorly connected hydroscapes is less resilient to perturbations in other drivers. Finally, we found that flow through heterogeneous patches is alone sufficient to produce non-Manning flow-depth relationships commonly observed in wetlands but previously attributed to depth-varying roughness.

  19. Impact of mixing chemically heterogeneous groundwaters on the sustainability of an open-loop groundwater heat pump

    Science.gov (United States)

    Burté, L.; Farasin, J.; Cravotta, C., III; Gerard, M. F.; Cotiche Baranger, C.; Aquilina, L.; Le Borgne, T.

    2017-12-01

    Geothermal systems using shallow aquifers are commonly used for heating and cooling. The sustainability of these systems can be severely impacted by the occurrence of clogging process. The geothermal loop operation (including pumping of groundwater, filtering and heat extraction through exchangers and cooled water injection) can lead to an unexpected biogeochemical reactivity and scaling formation that can ultimately lead to the shutdown of the geothermal doublet. Here, we report the results of investigations carried out on a shallow geothermal doublet (dynamic). Hydrochemical data collected at the pumping well showed that groundwater was chemically heterogeneous long the 11 meters well screen. While the aquifer was dominantly oxic, a localized inflow of anoxic water was detected and evaluated to produce about 40% of the total flow . The mixture of chemically heterogeneous water induced by pumping lead to the oxidation of reductive species and thus to the formation of biogenic precipitates responsible for clogging. The impact of pumping waters of different redox potential and chemical characteristics was quantified by numerical modeling using PHREEQC. These results shows that natural chemical heterogeneity can occur at a small scale in heterogeneous aquifers and highlight the importance of their characterization during the production well testing and the geothermal loop operation in order to take preventive measures to avoid clogging.

  20. Cirrus cloud mimic surfaces in the laboratory: organic acids, bases and NOx heterogeneous reactions

    Science.gov (United States)

    Sodeau, J.; Oriordan, B.

    2003-04-01

    CIRRUS CLOUD MIMIC SURFACES IN THE LABORATORY:ORGANIC ACIDS, BASES AND NOX HETEROGENEOUS REACTIONS. B. ORiordan, J. Sodeau Department of Chemistry and Environment Research Institute, University College Cork, Ireland j.sodeau@ucc.ie /Fax: +353-21-4902680 There are a variety of biogenic and anthropogenic sources for the simple carboxylic acids to be found in the troposphere giving rise to levels as high as 45 ppb in certain urban areas. In this regard it is of note that ants of genus Formica produce some 10Tg of formic acid each year; some ten times that produced by industry. The expected sinks are those generally associated with tropospheric chemistry: the major routes studied, to date, being wet and dry deposition. No studies have been carried out hitherto on the role of water-ice surfaces in the atmospheric chemistry of carboxylic acids and the purpose of this paper is to indicate their potential function in the heterogeneous release of atmospheric species such as HONO. The deposition of formic acid on a water-ice surface was studied using FT-RAIR spectroscopy over a range of temperatures between 100 and 165K. In all cases ionization to the formate (and oxonium) ions was observed. The results were confirmed by TPD (Temperature Programmed Desorption) measurements, which indicated that two distinct surface species adsorb to the ice. Potential reactions between the formic acid/formate ion surface and nitrogen dioxide were subsequently investigated by FT-RAIRS. Co-deposition experiments showed that N2O3 and the NO+ ion (associated with water) were formed as products. A mechanism is proposed to explain these results, which involves direct reaction between the organic acid and nitrogen dioxide. Similar experiments involving acetic acid also indicate ionization on a water-ice surface. The results are put into the context of atmospheric chemistry potentially occuring on cirrus cloud surfaces.

  1. Heterogeneous reaction of SO2 with soot: The roles of relative humidity and surface composition of soot in surface sulfate formation

    Science.gov (United States)

    Zhao, Yan; Liu, Yongchun; Ma, Jinzhu; Ma, Qingxin; He, Hong

    2017-03-01

    The conversion of SO2 to sulfates on the surface of soot is still poorly understood. Soot samples with different fractions of unsaturated hydrocarbons and oxygen-containing groups were prepared by combusting n-hexane under well-controlled conditions. The heterogeneous reaction of SO2 with soot was investigated using in situ attenuated total internal reflection infrared (ATR-IR) spectroscopy, ion chromatography (IC) and a flow tube reactor at the ambient pressure and relative humidity (RH). Water promoted SO2 adsorption and sulfate formation at the RH range from 6% to 70%, while exceeded water condensed on soot was unfavorable for sulfate formation due to inhibition of SO2 adsorption when RH was higher than 80%. The surface composition of soot, which was governed by combustion conditions, also played an important role in the heterogeneous reaction of SO2 with soot. This effect was found to greatly depend on RH. At low RH of 6%, soot with the highest fuel/oxygen ratio of 0.162 exhibited a maximum uptake capacity for SO2 because it contained a large amount of aromatic Csbnd H groups, which acted as active sites for SO2 adsorption. At RH of 54%, soot produced with a fuel/oxygen ratio of 0.134 showed the highest reactivity toward SO2 because it contained appropriate amounts of aromatic Csbnd H groups and oxygen-containing groups, subsequently leading to the optimal surface concentrations of both SO2 and water. These results suggest that variation in the surface composition of soot from different sources and/or resulting from chemical aging in the atmosphere likely affects the conversion of SO2 to sulfates.

  2. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1988-01-01

    The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

  3. Gas-surface interactions and heterogeneous chemistry on interstellar grains analogues

    Directory of Open Access Journals (Sweden)

    Cazaux S.

    2012-01-01

    Full Text Available Detailed laboratory studies and progress in surface science technique, have allowed in recent years the first experimental confirmation of surface reaction schemes, as introduced by Tielens, Hagen and Charnley [1,2]. In this paper, we review few heterogeneous processes which give routes to form elementary molecules considered as precursors for explaining the variety and richness of molecular species in the interstellar medium. Adsorption, diffusion and reaction processes are discussed. With emphasis on the experimental approaches, but also supported by theoretical developments, progresses in the understanding of the “catalytic role” of a dust grain surface in various physical conditions are described. Recent advances made on few important species (H2, H2O, CH3OH are used to illustrate basic properties and raise open questions.

  4. Surface Modification of α-Fe Metal Particles by Chemical Surface Coating

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The structure of α-Fe metal magnetic recording particles coated with silane coupling agents have been studied by TEM, FT-IR, EXAFS, Mossbauer. The results show that a close, uniform, firm and ultra thin layer, which is beneficial to the magnetic and chemical stability, has been formed by the cross-linked chemical bond Si-O-Si. And the organic molecule has chemically bonded to the particle surface, which has greatly affected the surface Fe atom electronic structure. Furthermore, the covalent bond between metal particle surface and organic molecule has obvious effect on the near edge structure of the surface Fe atoms.

  5. Surface engineering of one-dimensional tin oxide nanostructures for chemical sensors

    International Nuclear Information System (INIS)

    Ma, Yuanyuan; Qu, Yongquan; Zhou, Wei

    2013-01-01

    Nanostructured materials are promising candidates for chemical sensors due to their fascinating physicochemical properties. Among various candidates, tin oxide (SnO 2 ) has been widely explored in gas sensing elements due to its excellent chemical stability, low cost, ease of fabrication and remarkable reproducibility. We are presenting an overview on recent investigations on 1-dimensional (1D) SnO 2 nanostructures for chemical sensing. In particular, we focus on the performance of devices based on surface engineered SnO 2 nanostructures, and on aspects of morphology, size, and functionality. The synthesis and sensing mechanism of highly selective, sensitive and stable 1D nanostructures for use in chemical sensing are discussed first. This is followed by a discussion of the relationship between the surface properties of the SnO 2 layer and the sensor performance from a thermodynamic point of view. Then, the opportunities and recent progress of chemical sensors fabricated from 1D SnO 2 heterogeneous nanostructures are discussed. Finally, we summarize current challenges in terms of improving the performance of chemical (gas) sensors using such nanostructures and suggest potential applications. (author)

  6. A Monte Carlo simulation of the exchange reaction between gaseous molecules and the atoms on a heterogeneous solid surface

    International Nuclear Information System (INIS)

    Imai, Hisao

    1980-01-01

    A method of the Monte Carlo simulation of the isotopic exchange reaction between gaseous molecules and the atoms on an arbitrarily heterogeneous solid surface is described by employing hydrogen as an example. (author)

  7. Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis.

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, Gabor A.; Li, Yimin

    2009-11-21

    Experimental discoveries followed by theoretical interpretations that pave the way of further advances by experimentalists is a developing pattern in modern surface chemistry and catalysis. The revolution of modern surface science started with the development of surface-sensitive techniques such as LEED, XPS, AES, ISS and SIMS, in which the close collaboration between experimentalists and theorists led to the quantitative determination of surface structure and composition. The experimental discovery of the chemical activity of surface defects and the trends in the reactivity of transitional metals followed by the explanations from the theoretical studies led to the molecular level understanding of active sites in catalysis. The molecular level knowledge, in turn, provided a guide for experiments to search for new generation of catalysts. These and many other examples of successes in experiment-and-theory-combined studies demonstrate the importance of the collaboration between experimentalists and theorists in the development of modern surface science.

  8. Atomic Resolution Imaging and Quantification of Chemical Functionality of Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Schwarz, Udo D. [Yale Univ., New Haven, CT (United States). Dept. of Mechanical Engineering and Materials Science; Altman, Eric I. [Yale Univ., New Haven, CT (United States). Dept. of Chemical and Environmental Engineering

    2014-12-10

    The work carried out from 2006-2014 under DoE support was targeted at developing new approaches to the atomic-scale characterization of surfaces that include species-selective imaging and an ability to quantify chemical surface interactions with site-specific accuracy. The newly established methods were subsequently applied to gain insight into the local chemical interactions that govern the catalytic properties of model catalysts of interest to DoE. The foundation of our work was the development of three-dimensional atomic force microscopy (3DAFM), a new measurement mode that allows the mapping of the complete surface force and energy fields with picometer resolution in space (x, y, and z) and piconewton/millielectron volts in force/energy. From this experimental platform, we further expanded by adding the simultaneous recording of tunneling current (3D-AFM/STM) using chemically well-defined tips. Through comparison with simulations, we were able to achieve precise quantification and assignment of local chemical interactions to exact positions within the lattice. During the course of the project, the novel techniques were applied to surface-oxidized copper, titanium dioxide, and silicon oxide. On these materials, defect-induced changes to the chemical surface reactivity and electronic charge density were characterized with site-specific accuracy.

  9. Heterogeneous Photochemistry of Agrochemicals at the Leaf Surface: A Case Study of Plant Activator Acibenzolar-S-methyl.

    Science.gov (United States)

    Sleiman, M; de Sainte Claire, P; Richard, C

    2017-09-06

    The photoreactivity of plant activator benzo(1,2,3)thiadiazole-7-carbothioic acid S-methyl ester (BTH), commonly named acibenzolar-S-methyl, was studied on the surfaces of glass, paraffinic wax films, and apple leaves. Experiments were carried out in a solar simulator using pure and formulated BTH (BION). Surface photoproducts were identified using liquid chromatography coupled with electrospray ionization and high-resolution Orbitrap mass spectrometry, while volatile photoproducts were characterized using an online thermal desorption system coupled to a gas chromatography-mass spectrometry (GC-MS) system. Pure BTH degraded quickly on wax surfaces with a half-life of 5.0 ± 0.5 h, whereas photolysis of formulated BTH was 7 times slower (t 1/2 = 36 ± 14 h). On the other hand, formulated BTH was found to photolyze quickly on detached apple leaves with a half-life of 2.8 h ± 0.4 h. This drastic difference in photoreactivity was attributed to the nature and spreading of the BTH deposit, as influenced by the surfactant and surface characteristics. Abiotic stress of irradiated apple leaf was also shown to produce OH radicals which might contribute to the enhanced photodegradability. Eight surface photoproducts were identified, whereas GC-MS analyses revealed the formation of gaseous dimethyl disulfide and methanethiol. The yield of dimethyl disulfide ranged between 1.5% and 12%, and a significant fraction of dimethyl disulfide produced was found to be absorbed by the leaf. This is the first study to report on the formation of volatile chemicals and OH radicals during agrochemical photolysis on plant surfaces. The developed experimental approach can provide valuable insights into the heterogeneous photoreactivity of sprayed agrochemicals and could help improve dissipation models.

  10. Resolving the chemical nature of nanodesigned silica surface obtained via a bottom-up approach.

    Science.gov (United States)

    Rahma, Hakim; Buffeteau, Thierry; Belin, Colette; Le Bourdon, Gwenaëlle; Degueil, Marie; Bennetau, Bernard; Vellutini, Luc; Heuzé, Karine

    2013-08-14

    The covalent grafting on silica surfaces of a functional dendritic organosilane coupling agent inserted, in a long alkyl chain monolayer, is described. In this paper, we show that depending on experimental parameters, particularly the solvent, it is possible to obtain a nanodesigned surface via a bottom-up approach. Thus, we succeed in the formation of both homogeneous dense monolayer and a heterogeneous dense monolayer, the latter being characterized by a nanosized volcano-type pattern (4-6 nm of height, 100 nm of width, and around 3 volcanos/μm(2)) randomly distributed over the surface. The dendritic attribute of the grafted silylated coupling agent affords enough anchoring sites to immobilize covalently functional gold nanoparticles (GNPs), coated with amino PEG polymer to resolve the chemical nature of the surfaces and especially the volcano type nanopattern structures of the heterogeneous monolayer. Thus, the versatile surface chemistry developed herein is particularly challenging as the nanodesign is straightforward achieved in a bottom-up approach without any specific lithography device.

  11. Coalescence-induced jumping of micro-droplets on heterogeneous superhydrophobic surfaces

    Science.gov (United States)

    Attarzadeh, Reza; Dolatabadi, Ali

    2017-01-01

    The phenomenon of droplets coalescence-induced self-propelled jumping on homogeneous and heterogeneous superhydrophobic surfaces was numerically modeled using the volume of fluid method coupled with a dynamic contact angle model. The heterogeneity of the surface was directly modeled as a series of micro-patterned pillars. To resolve the influence of air around a droplet and between the pillars, extensive simulations were performed for different droplet sizes on a textured surface. Parallel computations with the OpenMP algorithm were used to accelerate computation speed to meet the convergence criteria. The composition of the air-solid surface underneath the droplet facilitated capturing the transition from a no-slip/no-penetration to a partial-slip with penetration as the contact line at triple point started moving to the air pockets. The wettability effect from the nanoscopic roughness and the coating was included in the model by using the intrinsic contact angle obtained from a previously published study. As the coalescence started, the radial velocity of the coalescing liquid bridge was partially reverted to the upward direction due to the counter-action of the surface. However, we found that the velocity varied with the size of the droplets. A part of the droplet kinetic energy was dissipated as the merged droplet started penetrating into the cavities. This was due to a different area in contact between the liquid and solid and, consequently, a higher viscous dissipation rate in the system. We showed that the effect of surface roughness is strongly significant when the size of the micro-droplet is comparable with the size of the roughness features. In addition, the relevance of droplet size to surface roughness (critical relative roughness) was numerically quantified. We also found that regardless of the viscous cutoff radius, as the relative roughness approached the value of 44, the direct inclusion of surface topography was crucial in the modeling of the

  12. CHEMICAL REACTIONS ON ADSORBING SURFACE: KINETIC LEVEL OF DESCRIPTION

    Directory of Open Access Journals (Sweden)

    P.P.Kostrobii

    2003-01-01

    Full Text Available Based on the effective Hubbard model we suggest a statistical description of reaction-diffusion processes for bimolecular chemical reactions of gas particles adsorbed on the metallic surface. The system of transport equations for description of particles diffusion as well as reactions is obtained. We carry out the analysis of the contributions of all physical processes to the formation of diffusion coefficients and chemical reactions constants.

  13. Airborne-Measured Spatially-Averaged Temperature and Moisture Turbulent Structure Parameters Over a Heterogeneous Surface

    Science.gov (United States)

    Platis, Andreas; Martinez, Daniel; Bange, Jens

    2014-05-01

    Turbulent structure parameters of temperature and humidity can be derived from scintillometer measurements along horizontal paths of several 100 m to several 10 km. These parameters can be very useful to estimate the vertical turbulent heat fluxes at the surface (applying MOST). However, there are many assumptions required by this method which can be checked using in situ data, e.g. 1) Were CT2 and CQ2 correctly derived from the initial CN2 scintillometer data (structure parameter of density fluctuations or refraction index, respectively)? 2) What is the influence of the surround hetereogeneous surface regarding its footprint and the weighted averaging effect of the scintillometer method 3) Does MOST provide the correct turbulent fluxes from scintillometer data. To check these issues, in situ data from low-level flight measurements are well suited, since research aircraft cover horizontal distances in very short time (Taylor's hypothesis of a frozen turbulence structure can be applyed very likely). From airborne-measured time series the spatial series are calculated and then their structure functions that finally provide the structure parameters. The influence of the heterogeneous surface can be controlled by the definition of certain moving-average window sizes. A very useful instrument for this task are UAVs since they can fly very low and maintain altitude very precisely. However, the data base of such unmanned operations is still quite thin. So in this contribution we want to present turbulence data obtained with the Helipod, a turbulence probe hanging below a manned helicopter. The structure parameters of temperature and moisture, CT2 and CQ2, in the lower convective boundary layer were derived from data measured using the Helipod in 2003. The measurements were carried out during the LITFASS03 campaign over a heterogeneous land surface around the boundary-layer field site of the Lindenberg Meteorological Observatory-Richard-Aßmann-Observatory (MOL) of the

  14. Heterogeneous free-surface profile of B4C polycrystal under shock compression

    International Nuclear Information System (INIS)

    Mashimo, T.; Uchino, M.

    1997-01-01

    Observations of the free-surface behavior under shock compression by the gapped-flat mirror method were performed on B 4 C and Si 3 N 4 ceramics to study their shock-yielding properties. Jagged profiles of the moving free-surface in the plastic region, with a special scale of about one mm and a maximum local displacement of a few 10s of μm, were observed for B 4 C polycrystals. Similar profiles for Si 3 N 4 polycrystals were smooth. Such profiles for B 4 C polycrystals were also observed in the elastic region. It is suggested that these observations reflect the heterogeneous nature of shock compression in solids, and further indicate that a macroscopic slip system plays an important role in the elastoplastic transition of B 4 C material under shock compression and decompression. copyright 1997 American Institute of Physics

  15. Application of surface plasmons to biological and chemical sensors

    International Nuclear Information System (INIS)

    Kajikawa, Kotaro

    2015-01-01

    Surface plasmons (SPs) are a collective normal mode of electrons localized at a metallic surface. It has been used for biological sensors since 1990s. This is because it has the following specific characters: (a) The resonance condition is sensitive to the surrounding dielectric constants (refractive indexes) and (b) Highly enhanced optical-electric-fields are produced adjacent to SPs. A brief introduction is given on the principle of the biological and chemical sensors based on SPs for the readers working in the fields other than SPs, followed by a review on the recent developments of the biological and chemical sensors. (author)

  16. Landsat and Local Land Surface Temperatures in a Heterogeneous Terrain Compared to MODIS Values

    Directory of Open Access Journals (Sweden)

    Gemma Simó

    2016-10-01

    Full Text Available Land Surface Temperature (LST as provided by remote sensing onboard satellites is a key parameter for a number of applications in Earth System studies, such as numerical modelling or regional estimation of surface energy and water fluxes. In the case of Moderate Resolution Imaging Spectroradiometer (MODIS onboard Terra or Aqua, pixels have resolutions near 1 km 2 , LST values being an average of the real subpixel variability of LST, which can be significant for heterogeneous terrain. Here, we use Landsat 7 LST decametre-scale fields to evaluate the temporal and spatial variability at the kilometre scale and compare the resulting average values to those provided by MODIS for the same observation time, for the very heterogeneous Campus of the University of the Balearic Islands (Mallorca, Western Mediterranean, with an area of about 1 km 2 , for a period between 2014 and 2016. Variations of LST between 10 and 20 K are often found at the sub-kilometre scale. In addition, MODIS values are compared to the ground truth for one point in the Campus, as obtained from a four-component net radiometer, and a bias of 3.2 K was found in addition to a Root Mean Square Error (RMSE of 4.2 K. An indication of a more elaborated local measurement strategy in the Campus is given, using an array of radiometers distributed in the area.

  17. Chemical and Physical Interactions of Martian Surface Material

    Science.gov (United States)

    Bishop, J. L.

    1999-09-01

    A model of alteration and maturation of the Martian surface material is described involving both chemical and physical interactions. Physical processes involve distribution and mixing of the fine-grained soil particles across the surface and into the atmosphere. Chemical processes include reaction of sulfate, salt and oxidizing components of the soil particles; these agents in the soils deposited on rocks will chew through the rock minerals forming coatings and will bind surface soils together to form duricrust deposits. Formation of crystalline iron oxide/oxyhydroxide minerals through hydrothermal processes and of poorly crystalline and amorphous phases through palagonitic processes both contribute to formation of the soil particles. Chemical and physical alteration of these soil minerals and phases contribute to producing the chemical, magnetic and spectroscopic character of the Martian soil as observed by Mars Pathfinder and Mars Global Surveyor. Minerals such as maghemite/magnetite and jarosite/alunite have been observed in terrestrial volcanic soils near steam vents and may be important components of the Martian surface material. The spectroscopic properties of several terrestrial volcanic soils containing these minerals have been analyzed and evaluated in terms of the spectroscopic character of the surface material on Mars.

  18. Chemical reactivity of {alpha}-isosaccharinic acid in heterogeneous alkaline systems

    Energy Technology Data Exchange (ETDEWEB)

    Glaus, M. A.; Loon, L. R. Van

    2009-05-15

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, {alpha}- isosaccharinic acid ({alpha}-ISA) is the strongest complexant. The prediction of the equilibrium concentration of {alpha}-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of {alpha}-ISA in heterogeneous alkaline model systems containing either Ca(OH){sub 2} or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of {alpha}-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, at either 25 {sup o}C or 90 {sup o}C, and under anaerobic atmospheres obtained by various methods. It was found that {alpha}-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than {alpha}-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was {approx} 50 % of the amount of {alpha}-ISA reacted. Sorption of {alpha}-ISA to Ca(OH){sub 2} contributed only to a minor extent to the loss of {alpha}-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of {alpha}-ISA. Under aerobic conditions {alpha}-ISA was

  19. Chemical reactivity of α-isosaccharinic acid in heterogeneous alkaline systems

    International Nuclear Information System (INIS)

    Glaus, M. A.; Loon, L. R. Van

    2008-11-01

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, α-isosaccharinic acid (α-ISA) is the strongest complexant. The prediction of the equilibrium concentration of α-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of α-ISA in heterogeneous alkaline model systems containing either Ca(OH) 2 or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of α-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, either at 25 o C or 90 o C, and under anaerobic atmospheres obtained by various methods. It was found that α-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than α-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was ∼50 % of the amount of α-ISA reacted. Sorption of α-ISA to Ca(OH) 2 contributed only to a minor extent to the loss of α-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of α-ISA. Under aerobic conditions α-ISA was quantitatively converted to reaction products, whereas under strict anaerobic conditions, only

  20. Chemical reactivity of α-isosaccharinic acid in heterogeneous alkaline systems

    International Nuclear Information System (INIS)

    Glaus, M. A.; Loon, L. R. Van

    2009-05-01

    Cellulose degradation under alkaline conditions is of relevance for the mobility of many radionuclides in the near-field of a cementitious repository for radioactive waste, because metal-binding degradation products may be formed. Among these, α- isosaccharinic acid (α-ISA) is the strongest complexant. The prediction of the equilibrium concentration of α-ISA in cement pore water is therefore an important step in the assessment of the influence of cellulose degradation products on the speciation of radionuclides in such environments. The present report focuses on possible chemical transformation reactions of α-ISA in heterogeneous alkaline model systems containing either Ca(OH) 2 or crushed hardened cement paste. The transformation reactions were monitored by measuring the concentration of α-ISA by high performance anion exchange chromatography and the formation of reaction products by high performance ion exclusion chromatography. The overall loss of organic species from solution was monitored by measuring the concentration of non-purgeable organic carbon. The reactions were examined in diluted and compacted suspensions, at either 25 o C or 90 o C, and under anaerobic atmospheres obtained by various methods. It was found that α-ISA was transformed under all conditions tested to some extent. Reaction products, such as glycolate, formate, lactate and acetate, all compounds with less complexing strength than α-ISA, were detected. The amount of reaction products identified by the chromatographic technique applied was ∼ 50 % of the amount of α-ISA reacted. Sorption of α-ISA to Ca(OH) 2 contributed only to a minor extent to the loss of α-ISA from the solution phase. As the most important conclusion of the present work it was demonstrated that the presence of oxidising agents had a distinctive influence on the turnover of α-ISA. Under aerobic conditions α-ISA was quantitatively converted to reaction products, whereas under strict anaerobic conditions, only

  1. Effective Electrostatic Interactions Between Two Overall Neutral Surfaces with Quenched Charge Heterogeneity Over Atomic Length Scale

    Science.gov (United States)

    Zhou, S.

    2017-12-01

    Using Monte Carlo results as a reference, a classical density functional theory ( CDFT) is shown to reliably predict the forces between two heterogeneously charged surfaces immersed in an electrolyte solution, whereas the Poisson-Boltzmann ( PB) theory is demonstrated to deteriorate obviously for the same system even if the system parameters considered fall within the validity range of the PB theory in the homogeneously charged surfaces. By applying the tested CDFT, we study the effective electrostatic potential of mean force ( EPMF) between two face-face planar and hard surfaces of zero net charge on which positive and negative charges are separated and considered to present as discontinuous spots on the inside edges of the two surfaces. Main conclusions are summarized as follows: (i) strength of the EPMF in the surface charge separation case is very sensitively and positively correlated with the surface charge separation level and valency of the salt ion. Particularly, the charge separation level and the salt ion valency have a synergistic effect, which makes high limit of the EPMF strength in the surface charge separation case significantly go beyond that of the ideal homogeneously charged surface counterpart at average surface charge density similar to the average surface positive or negative charge density in the charge separation case. (ii) The surface charge distribution patterns mainly influence sign of the EPMF: symmetrical and asymmetrical patterns induce repulsive and attractive (at small distances) EPMF, respectively; but with low valency salt ions and low charge separation level the opposite may be the case. With simultaneous presence of both higher valency cation and anion, the EPMF can be repulsive at intermediate distances for asymmetrical patterns. (iii) Salt ion size has a significant impact, which makes the EPMF tend to become more and more repulsive with the ion diameter regardless of the surface charge distribution patterns and the valency of

  2. Building surface decontamination for chemical counter-terrorism

    Energy Technology Data Exchange (ETDEWEB)

    Harrison, S.; Thouin, G.; Kuang, W. [SAIC Canada, Ottawa, ON (Canada); Volchek, K.; Fingas, M.; Li, K. [Environment Canada, Ottawa, ON (Canada). Emergencies Science and Technology Division, Environmental Technology Centre, Science and Technology Branch

    2006-07-01

    A test method to compare and evaluate surface decontamination methods for buildings affected by chemical attacks was developed. Decontamination techniques generally depend on the nature and quantity of the weapon agent, the type of construction material and the location. Cleanup methods can be either physical, chemical or biological. This paper addressed chemical decontamination methods which use reactants to change the molecular structure of the contaminant. Peroxycarboxylic and peroxyacetic acids (PAA) are being used increasingly for both disinfection and environmental protection. In this study, 4 materials were chosen to represent common building materials. Samples were spiked with 10 mg of pesticides such as malathion and diazinon. Decontamination agents included the commercial decontamination agent CASCAD prepared in liquid form, a chemical preparation of PAA, and reagent grade peroxypropionic acid (PPA). The newly developed surface decontamination procedure can evaluate and compare the effectiveness of different chemical decontamination agents. The procedures were used on porous ceiling tile and carpet as well as on non-porous floor tile and painted steel surfaces. Rinse water was collected and analyzed in order to determine if decontamination was a result of chemical destruction or mechanical removal. The extraction efficiencies were found to be acceptable for all materials, with the exception of the highly porous ceiling tile. The extraction of diazinon from all surfaces was less efficient than the extraction of malathion. Results suggest that the performance of decontamination agents can be improved by repeated application of the decontamination agent, along with greater volumes and a combination of chemical and mechanical actions. It was also suggested that breakdown methods and wastewater treatment procedures should be developed because hazardous byproducts were detected in many samples. 18 refs., 1 tab., 17 figs.

  3. Optimizing surface acoustic wave sensors for trace chemical detection

    Energy Technology Data Exchange (ETDEWEB)

    Frye, G.C.; Kottenstette, R.J.; Heller, E.J. [and others

    1997-06-01

    This paper describes several recent advances for fabricating coated surface acoustic wave (SAW) sensors for applications requiring trace chemical detection. Specifically, we have demonstrated that high surface area microporous oxides can provide 100-fold improvements in SAW sensor responses compared with more typical polymeric coatings. In addition, we fabricated GaAs SAW devices with frequencies up to 500 MHz to provide greater sensitivity and an ideal substrate for integration with high-frequency electronics.

  4. Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface.

    Science.gov (United States)

    He, Xiaoxia; Shen, Yan; Hung, Francisco R; Santiso, Erik E

    2016-12-07

    Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim + ][Cl - ] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ∼85 kcal/mol to form a critical nucleus of size ∼3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (∼49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (∼3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (∼4.8 × 10 11 cm -3 s -1 ) is about one order of magnitude faster than the homogeneous rate (∼6.6 × 10 10 cm -3 s -1 ). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide

  5. Superhydrophobic coatings for aluminium surfaces synthesized by chemical etching process

    Directory of Open Access Journals (Sweden)

    Priya Varshney

    2016-10-01

    Full Text Available In this paper, the superhydrophobic coatings on aluminium surfaces were prepared by two-step (chemical etching followed by coating and one-step (chemical etching and coating in a single step processes using potassium hydroxide and lauric acid. Besides, surface immersion time in solutions was varied in both processes. Wettability and surface morphologies of treated aluminium surfaces were characterized using contact angle measurement technique and scanning electron microscopy, respectively. Microstructures are formed on the treated aluminium surfaces which lead to increase in contact angle of the surface (>150°. Also on increasing immersion time, contact angle further increases due to increase in size and depth of microstructures. Additionally, these superhydrophobic coatings show excellent self-cleaning and corrosion-resistant behavior. Water jet impact, floatation on water surface, and low temperature condensation tests assert the excellent water-repellent nature of coatings. Further, coatings are to be found mechanically, thermally, and ultraviolet stable. Along with, these coatings are found to be excellent regeneration ability as verified experimentally. Although aforesaid both processes generate durable and regenerable superhydrophobic aluminium surfaces with excellent self-cleaning, corrosion-resistant, and water-repellent characteristics, but one-step process is proved more efficient and less time consuming than two-step process and promises to produce superhydrophobic coatings for industrial applications.

  6. Radiation-heterogeneous processes on the surface of stainless steel in contact with water

    International Nuclear Information System (INIS)

    Garibov, A.; Agayev, T.N.; Velibekova, G.Z.; Ismayilov, Sh.S.; Aliyev, A.G.

    2003-01-01

    Full text: Stainless steels are one of prevailing materials of nuclear power engineering. Under operating conditions in real systems they are exposed to influence of ionizing radiation in contact with various environments. Therefore in the processes of corrosion and destruction of stainless steels special significance takes on surface processes and subsequent heterogeneous processes with their participation. In this report the results of research of nuclear-heterogeneous processes regularities in contact with stainless steel of nuclear reactors with water under influence of γ-quanta in the temperature range 300-573 K are given. Radiolytic processes in water are investigated comprehensively and therefore it was taken as modelling system for titration of surface defects and secondary electrons, emitted from metal. It was determined, that radiation processes in stainless steel give rise to the increasing of energy output of molecular hydrogen at water radiolysis from 0.45 molecule/100 eV at pure water radiolysis at 296 K up to 3.4 molecule/100 eV at the presence of stainless steel at 300 K. With increase of temperature the output of molecular hydrogen increases up to 8.2 molecule/100 eV at 573 K. Processes of lattice damage in samples of stainless steel under influence of γ-rays were investigated by electrophysical method. Influence of γ-radiation on stainless steel in contact with water at temperatures T ≤ 423 K and initial values of radiation dose D ≤ 200 kGy given rise to the reduction of electrical resistivity of samples. At doses D≥200 kGy electrical resistivity is increased. Increase of temperature from 333 K up to 423 K lead to the reduction of dose value, at which the transition to resistance increase, from 200 kGy up to 100 kGy occurs. At T≥523 K insoluble oxide phase is formed on a surface of metal which give rise to the increase of electrical resistivity of stainless steel samples. Surface oxide film formed in contact of stainless steel + H 2 O

  7. Influence of surface coverage on the chemical desorption process

    Energy Technology Data Exchange (ETDEWEB)

    Minissale, M.; Dulieu, F., E-mail: francois.dulieu@obspm.fr [LERMA, Université de Cergy Pontoise et Observatoire de Paris, UMR 8112 du CNRS. 5, mail Gay Lussac, 95031 Cergy Pontoise (France)

    2014-07-07

    In cold astrophysical environments, some molecules are observed in the gas phase whereas they should have been depleted, frozen on dust grains. In order to solve this problem, astrochemists have proposed that a fraction of molecules synthesized on the surface of dust grains could desorb just after their formation. Recently the chemical desorption process has been demonstrated experimentally, but the key parameters at play have not yet been fully understood. In this article, we propose a new procedure to analyze the ratio of di-oxygen and ozone synthesized after O atoms adsorption on oxidized graphite. We demonstrate that the chemical desorption efficiency of the two reaction paths (O+O and O+O{sub 2}) is different by one order of magnitude. We show the importance of the surface coverage: for the O+O reaction, the chemical desorption efficiency is close to 80% at zero coverage and tends to zero at one monolayer coverage. The coverage dependence of O+O chemical desorption is proved by varying the amount of pre-adsorbed N{sub 2} on the substrate from 0 to 1.5 ML. Finally, we discuss the relevance of the different physical parameters that could play a role in the chemical desorption process: binding energy, enthalpy of formation, and energy transfer from the new molecule to the surface or to other adsorbates.

  8. Local Chemical Reactivity of a Metal Alloy Surface

    DEFF Research Database (Denmark)

    Hammer, Bjørk; Scheffler, Matthias

    1995-01-01

    The chemical reactivity of a metal alloy surface is studied by density functional theory investigating the interaction of H2 with NiAl(110). The energy barrier for H2 dissociation is largely different over the Al and Ni sites without, however, reflecting the barriers over the single component metal...

  9. Heterogeneously catalyzed reactive extraction for biomass valorization into chemicals and fuels

    NARCIS (Netherlands)

    Ordomskiy, V.; Khodakov, A.Y.; Nijhuis, T.A.; Schouten, J.C.

    2015-01-01

    This paper focuses on the heterogeneously catalyzed reactive extraction and separation in reaction steps in organic and aqueous phases during the transformation of biomass derived products. Two approaches are demonstrated for decomposing and preserving routes for biomass transformation into valuable

  10. Low-temperature wafer direct bonding of silicon and quartz glass by a two-step wet chemical surface cleaning

    Science.gov (United States)

    Wang, Chenxi; Xu, Jikai; Zeng, Xiaorun; Tian, Yanhong; Wang, Chunqing; Suga, Tadatomo

    2018-02-01

    We demonstrate a facile bonding process for combining silicon and quartz glass wafers by a two-step wet chemical surface cleaning. After a post-annealing at 200 °C, strong bonding interfaces with no defects or microcracks were obtained. On the basis of the detailed surface and bonding interface characterizations, the bonding mechanism was explored and discussed. The amino groups terminated on the cleaned surfaces might contribute to the bonding strength enhancement during the annealing. This cost-effective bonding process has great potentials for silicon- and glass-based heterogeneous integrations without requiring a vacuum system.

  11. Cortical Thickness, Surface Area and Subcortical Volume Differentially Contribute to Cognitive Heterogeneity in Parkinson's Disease.

    Science.gov (United States)

    Gerrits, Niels J H M; van Loenhoud, Anita C; van den Berg, Stan F; Berendse, Henk W; Foncke, Elisabeth M J; Klein, Martin; Stoffers, Diederick; van der Werf, Ysbrand D; van den Heuvel, Odile A

    2016-01-01

    Parkinson's disease (PD) is often associated with cognitive deficits, although their severity varies considerably between patients. Recently, we used voxel-based morphometry (VBM) to show that individual differences in gray matter (GM) volume relate to cognitive heterogeneity in PD. VBM does, however, not differentiate between cortical thickness (CTh) and surface area (SA), which might be independently affected in PD. We therefore re-analyzed our cohort using the surface-based method FreeSurfer, and investigated (i) CTh, SA, and (sub)cortical GM volume differences between 93 PD patients and 45 matched controls, and (ii) the relation between these structural measures and cognitive performance on six neuropsychological tasks within the PD group. We found cortical thinning in PD patients in the left pericalcarine gyrus, extending to cuneus, precuneus and lingual areas and left inferior parietal cortex, bilateral rostral middle frontal cortex, and right cuneus, and increased cortical surface area in the left pars triangularis. Within the PD group, we found negative correlations between (i) CTh of occipital areas and performance on a verbal memory task, (ii) SA and volume of the frontal cortex and visuospatial memory performance, and, (iii) volume of the right thalamus and scores on two verbal fluency tasks. Our primary findings illustrate that i) CTh and SA are differentially affected in PD, and ii) VBM and FreeSurfer yield non-overlapping results in an identical dataset. We argue that this discrepancy is due to technical differences and the subtlety of the PD-related structural changes.

  12. Basin-scale heterogeneity in Antarctic precipitation and its impact on surface mass variability

    Directory of Open Access Journals (Sweden)

    J. Fyke

    2017-11-01

    Full Text Available Annually averaged precipitation in the form of snow, the dominant term of the Antarctic Ice Sheet surface mass balance, displays large spatial and temporal variability. Here we present an analysis of spatial patterns of regional Antarctic precipitation variability and their impact on integrated Antarctic surface mass balance variability simulated as part of a preindustrial 1800-year global, fully coupled Community Earth System Model simulation. Correlation and composite analyses based on this output allow for a robust exploration of Antarctic precipitation variability. We identify statistically significant relationships between precipitation patterns across Antarctica that are corroborated by climate reanalyses, regional modeling and ice core records. These patterns are driven by variability in large-scale atmospheric moisture transport, which itself is characterized by decadal- to centennial-scale oscillations around the long-term mean. We suggest that this heterogeneity in Antarctic precipitation variability has a dampening effect on overall Antarctic surface mass balance variability, with implications for regulation of Antarctic-sourced sea level variability, detection of an emergent anthropogenic signal in Antarctic mass trends and identification of Antarctic mass loss accelerations.

  13. Effects of vegetation heterogeneity and surface topography on spatial scaling of net primary productivity

    Science.gov (United States)

    Chen, J. M.; Chen, X.; Ju, W.

    2013-07-01

    Due to the heterogeneous nature of the land surface, spatial scaling is an inevitable issue in the development of land models coupled with low-resolution Earth system models (ESMs) for predicting land-atmosphere interactions and carbon-climate feedbacks. In this study, a simple spatial scaling algorithm is developed to correct errors in net primary productivity (NPP) estimates made at a coarse spatial resolution based on sub-pixel information of vegetation heterogeneity and surface topography. An eco-hydrological model BEPS-TerrainLab, which considers both vegetation and topographical effects on the vertical and lateral water flows and the carbon cycle, is used to simulate NPP at 30 m and 1 km resolutions for a 5700 km2 watershed with an elevation range from 518 m to 3767 m in the Qinling Mountain, Shanxi Province, China. Assuming that the NPP simulated at 30 m resolution represents the reality and that at 1 km resolution is subject to errors due to sub-pixel heterogeneity, a spatial scaling index (SSI) is developed to correct the coarse resolution NPP values pixel by pixel. The agreement between the NPP values at these two resolutions is improved considerably from R2 = 0.782 to R2 = 0.884 after the correction. The mean bias error (MBE) in NPP modelled at the 1 km resolution is reduced from 14.8 g C m-2 yr-1 to 4.8 g C m-2 yr-1 in comparison with NPP modelled at 30 m resolution, where the mean NPP is 668 g C m-2 yr-1. The range of spatial variations of NPP at 30 m resolution is larger than that at 1 km resolution. Land cover fraction is the most important vegetation factor to be considered in NPP spatial scaling, and slope is the most important topographical factor for NPP spatial scaling especially in mountainous areas, because of its influence on the lateral water redistribution, affecting water table, soil moisture and plant growth. Other factors including leaf area index (LAI) and elevation have small and additive effects on improving the spatial scaling

  14. Effects of vegetation heterogeneity and surface topography on spatial scaling of net primary productivity

    Directory of Open Access Journals (Sweden)

    J. M. Chen

    2013-07-01

    Full Text Available Due to the heterogeneous nature of the land surface, spatial scaling is an inevitable issue in the development of land models coupled with low-resolution Earth system models (ESMs for predicting land-atmosphere interactions and carbon-climate feedbacks. In this study, a simple spatial scaling algorithm is developed to correct errors in net primary productivity (NPP estimates made at a coarse spatial resolution based on sub-pixel information of vegetation heterogeneity and surface topography. An eco-hydrological model BEPS-TerrainLab, which considers both vegetation and topographical effects on the vertical and lateral water flows and the carbon cycle, is used to simulate NPP at 30 m and 1 km resolutions for a 5700 km2 watershed with an elevation range from 518 m to 3767 m in the Qinling Mountain, Shanxi Province, China. Assuming that the NPP simulated at 30 m resolution represents the reality and that at 1 km resolution is subject to errors due to sub-pixel heterogeneity, a spatial scaling index (SSI is developed to correct the coarse resolution NPP values pixel by pixel. The agreement between the NPP values at these two resolutions is improved considerably from R2 = 0.782 to R2 = 0.884 after the correction. The mean bias error (MBE in NPP modelled at the 1 km resolution is reduced from 14.8 g C m−2 yr−1 to 4.8 g C m−2 yr−1 in comparison with NPP modelled at 30 m resolution, where the mean NPP is 668 g C m−2 yr−1. The range of spatial variations of NPP at 30 m resolution is larger than that at 1 km resolution. Land cover fraction is the most important vegetation factor to be considered in NPP spatial scaling, and slope is the most important topographical factor for NPP spatial scaling especially in mountainous areas, because of its influence on the lateral water redistribution, affecting water table, soil moisture and plant growth. Other factors including leaf area index (LAI and elevation have small and additive effects on improving

  15. Impacts of thermal and chemical discharges to surface water

    International Nuclear Information System (INIS)

    Stober, Q.J.

    1974-01-01

    Various aspects of thermal and chemical discharges to surface water are outlined. The major impacts of nuclear power plants on aquatic resources are disruption during construction, intake of cooling water, discharge problems, and interactions with other water users. The following topics are included under the heading, assessment of aquatic ecology: identification of flora and fauna; abundance of aquatic organisms; species-environment relationships; and identification of pre-existing environmental stress. The following topics are included under the heading, environmental effects of plant operation: entrapment of fish by cooling water; passage of plankton through cooling system; discharge area and thermal plume; chemical effluents; and plant construction. (U.S.)

  16. The effect of ozone on nicotine desorption from model surfaces:evidence for heterogeneous chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Destaillats, Hugo; Singer, Brett C.; Lee, Sharon K.; Gundel, LaraA.

    2005-05-01

    Assessment of secondhand tobacco smoke exposure using nicotine as a tracer or biomarker is affected by sorption of the alkaloid to indoor surfaces and by its long-term re-emission into the gas phase. However, surface chemical interactions of nicotine have not been sufficiently characterized. Here, the reaction of ozone with nicotine sorbed to Teflon and cotton surfaces was investigated in an environmental chamber by monitoring nicotine desorption over a week following equilibration in dry or humid air (65-70 % RH). The Teflon and cotton surfaces had N{sub 2}-BET surface areas of 0.19 and 1.17 m{sup 2} g{sup -1}, and water mass uptakes (at 70 % RH) of 0 and 7.1 % respectively. Compared with dry air baseline levels in the absence of O{sub 3}, gas phase nicotine concentrations decrease, by 2 orders of magnitude for Teflon after 50 h at 20-45 ppb O{sub 3}, and by a factor of 10 for cotton after 100 h with 13-15 ppb O{sub 3}. The ratios of pseudo first-order rate constants for surface reaction (r) to long-term desorption (k) were r/k = 3.5 and 2.0 for Teflon and cotton surfaces, respectively. These results show that surface oxidation was competitive with desorption. Hence, oxidative losses could significantly reduce long-term re-emissions of nicotine from indoor surfaces. Formaldehyde, N-methylformamide, nicotinaldehyde and cotinine were identified as oxidation products, indicating that the pyrrolidinic N was the site of electrophilic attack by O{sub 3}. The presence of water vapor had no effect on the nicotine-O{sub 3} reaction on Teflon surfaces. By contrast, nicotine desorption from cotton in humid air was unaffected by the presence of ozone. These observations are consistent with complete inhibition of ozone-nicotine surface reactions in an aqueous surface film present in cotton but not in Teflon surfaces.

  17. Surface emitting ring quantum cascade lasers for chemical sensing

    Science.gov (United States)

    Szedlak, Rolf; Hayden, Jakob; Martín-Mateos, Pedro; Holzbauer, Martin; Harrer, Andreas; Schwarz, Benedikt; Hinkov, Borislav; MacFarland, Donald; Zederbauer, Tobias; Detz, Hermann; Andrews, Aaron Maxwell; Schrenk, Werner; Acedo, Pablo; Lendl, Bernhard; Strasser, Gottfried

    2018-01-01

    We review recent advances in chemical sensing applications based on surface emitting ring quantum cascade lasers (QCLs). Such lasers can be implemented in monolithically integrated on-chip laser/detector devices forming compact gas sensors, which are based on direct absorption spectroscopy according to the Beer-Lambert law. Furthermore, we present experimental results on radio frequency modulation up to 150 MHz of surface emitting ring QCLs. This technique provides detailed insight into the modulation characteristics of such lasers. The gained knowledge facilitates the utilization of ring QCLs in combination with spectroscopic techniques, such as heterodyne phase-sensitive dispersion spectroscopy for gas detection and analysis.

  18. Electronic dissipation processes during chemical reactions on surfaces

    CERN Document Server

    Stella, Kevin

    2012-01-01

    Hauptbeschreibung Every day in our life is larded with a huge number of chemical reactions on surfaces. Some reactions occur immediately, for others an activation energy has to be supplied. Thus it happens that though a reaction should thermodynamically run off, it is kinetically hindered. Meaning the partners react only to the thermodynamically more stable product state within a mentionable time if the activation energy of the reaction is supplied. With the help of catalysts the activation energy of a reaction can be lowered. Such catalytic processes on surfaces are widely used in industry. A

  19. Surface properties of hydrogenated nanodiamonds: a chemical investigation.

    Science.gov (United States)

    Girard, H A; Petit, T; Perruchas, S; Gacoin, T; Gesset, C; Arnault, J C; Bergonzo, P

    2011-06-28

    Hydrogen terminations (C-H) confer to diamond layers specific surface properties such as a negative electron affinity and a superficial conductive layer, opening the way to specific functionalization routes. For example, efficient covalent bonding of diazonium salts or of alkene moieties can be performed on hydrogenated diamond thin films, owing to electronic exchanges at the interface. Here, we report on the chemical reactivity of fully hydrogenated High Pressure High Temperature (HPHT) nanodiamonds (H-NDs) towards such grafting, with respect to the reactivity of as-received NDs. Chemical characterizations such as FTIR, XPS analysis and Zeta potential measurements reveal a clear selectivity of such couplings on H-NDs, suggesting that C-H related surface properties remain dominant even on particles at the nanoscale. These results on hydrogenated NDs open up the route to a broad range of new functionalizations for innovative NDs applications development. This journal is © the Owner Societies 2011

  20. Chemical reactions in the presence of surface modulation and stirring

    OpenAIRE

    Kamhawi, Khalid; Náraigh, Lennon Ó

    2009-01-01

    We study the dynamics of simple reactions where the chemical species are confined on a general, time-modulated surface, and subjected to externally-imposed stirring. The study of these inhomogeneous effects requires a model based on a reaction-advection-diffusion equation, which we derive. We use homogenization methods to show that up to second order in a small scaling parameter, the modulation effects on the concentration field are asymptotically equivalent for systems with or without stirri...

  1. Surface chemical modification for exceptional wear life of MEMS materials

    Directory of Open Access Journals (Sweden)

    R. Arvind Singh

    2011-12-01

    Full Text Available Micro-Electro-Mechanical-Systems (MEMS are built at micro/nano-scales. At these scales, the interfacial forces are extremely strong. These forces adversely affect the smooth operation and cause wear resulting in the drastic reduction in wear life (useful operating lifetime of actuator-based devices. In this paper, we present a surface chemical modification method that reduces friction and significantly extends the wear life of the two most popular MEMS structural materials namely, silicon and SU-8 polymer. The method includes surface chemical treatment using ethanolamine-sodium phosphate buffer, followed by coating of perfluoropolyether (PFPE nanolubricant on (i silicon coated with SU-8 thin films (500 nm and (ii MEMS process treated SU-8 thick films (50 μm. After the surface chemical modification, it was observed that the steady-state coefficient of friction of the materials reduced by 4 to 5 times and simultaneously their wear durability increased by more than three orders of magnitude (> 1000 times. The significant reduction in the friction coefficients is due to the lubrication effect of PFPE nanolubricant, while the exceptional increase in their wear life is attributed to the bonding between the -OH functional group of ethanolamine treated SU-8 thin/thick films and the -OH functional group of PFPE. The surface chemical modification method acts as a common route to enhance the performance of both silicon and SU-8 polymer. It is time-effective (process time ≤ 11 min, cost-effective and can be readily integrated into MEMS fabrication/assembly processes. It can also work for any kind of structural material from which the miniaturized devices are/can be made.

  2. Effects of geometric modulation and surface potential heterogeneity on electrokinetic flow and solute transport in a microchannel

    Science.gov (United States)

    Bera, Subrata; Bhattacharyya, S.

    2018-04-01

    A numerical investigation is performed on the electroosmotic flow (EOF) in a surface-modulated microchannel to induce enhanced solute mixing. The channel wall is modulated by placing surface-mounted obstacles of trigonometric shape along which the surface potential is considered to be different from the surface potential of the homogeneous part of the wall. The characteristics of the electrokinetic flow are governed by the Laplace equation for the distribution of external electric potential; the Poisson equation for the distribution of induced electric potential; the Nernst-Planck equations for the distribution of ions; and the Navier-Stokes equations for fluid flow simultaneously. These nonlinear coupled set of governing equations are solved numerically by a control volume method over the staggered system. The influence of the geometric modulation of the surface, surface potential heterogeneity and the bulk ionic concentration on the EOF is analyzed. Vortical flow develops near a surface modulation, and it becomes stronger when the surface potential of the modulated region is in opposite sign to the surface potential of the homogeneous part of the channel walls. Vortical flow also depends on the Debye length when the Debye length is in the order of the channel height. Pressure drop along the channel length is higher for a ribbed wall channel compared to the grooved wall case. The pressure drop decreases with the increase in the amplitude for a grooved channel, but increases for a ribbed channel. The mixing index is quantified through the standard deviation of the solute distribution. Our results show that mixing index is higher for the ribbed channel compared to the grooved channel with heterogeneous surface potential. The increase in potential heterogeneity in the modulated region also increases the mixing index in both grooved and ribbed channels. However, the mixing performance, which is the ratio of the mixing index to pressure drop, reduces with the rise in

  3. Surface heterogeneity and ionization of Cs promoter in carbon-based ruthenium catalyst for ammonia synthesis

    International Nuclear Information System (INIS)

    Kotarba, Andrzej; Dmytrzyk, Jaromir; Rarog-Pilecka, Wioletta; Kowalczyk, Zbigniew

    2003-01-01

    Second-generation ammonia synthesis cesium-doped ruthenium catalyst supported on turbostratic carbon was investigated by the species resolved thermal alkali desorption method (SR-TAD). Energetic barriers for cesium ions (2.86 eV), ground state (1.96 eV) and electronically excited atoms (5.76 eV) desorbing from the Cs-Ru/C catalyst were determined. In the case of ruthenium-free Cs/C system, cesium desorbs as ground state atoms only, with an energy barrier of 2.87 eV. The work functions determined by the thermionic emission of electrons from Cs/C and Cs-Ru/C were of the same value (2.9 eV). It was concluded that ruthenium induces heterogeneous distribution of cesium on the catalyst surface. The promoter stability is reduced on low work function areas and its surface ionization on high work function areas opens the ionic desorption channel. The Cs desorption from the catalyst is discussed in terms of the literature data for the cesium/graphite system

  4. Color heterogeneity of the surface of Phobos: Relationships to geologic features and comparison to meteorite analogs

    International Nuclear Information System (INIS)

    Murchie, S.L.; Britt, D.T.; Head, J.W.; Pratt, S.F.; Fisher, P.C.; Zhukov, B.S.; Kuzmin, A.A.; Ksanfomality, L.V.; Zharkov, A.V.; Nikitin, G.E.; Fanale, F.P.; Blaney, D.L.; Bell, J.F.; Robinson, M.S.

    1991-01-01

    Multispectral observations of Phobos by the VSK (Videospectrometric) TV cameras and KRFM (Combined Radiometer and Photometer for Mars) UV-visible spectrometer on Phobos 2 have provided new determinations of the satellite's spectral reflectance properties, at greater spatial and spectral resolutions and over a greater geographic range than have previously been available. Images of the ratio of visible and NIR reflectances covering the longitude range 30-250 degrees W were constructed from 0.40-0.56 μm and 0.78-1.1 μm VSK images. The average color ratio of Phobos was found to be ∼0.97±0.14, consistent with previously obtained measurements. However, the surface is heterogeneous, with at least four recognizable spectral units whose absolute color ratios were determined to within ∼10%: a red unit with a color ratio of 0.7-0.8, a reddish gray unit with a color ratio of 0.8-1.0, a bluish gray unit with a color ratio of 1.0-1.1, and a blue unit with a color ratio of 1.1-1.4. The redder and bluer color units are interpreted to have been excavated by impacts, from an optically and/or compositionally heterogeneous interior overlain by a reddish gray surficial layer. The location of the blue lobe emanating from Stickney correlates with the location of one of the morphologic classes of grooves, as predicted by ejecta reimpact models of groove origin. The large color ratio of blue material is comparable to that of an assemblage of mafic minerals like that forming black chondrites. Qualitative and quantitative comparison of the color ratio and UV-visible spectral properties of bluish gray material with those of meteorites indicates that black chondrites are this material's closest spectral analog. The UV-visible spectra of reddish gray and red materials most resemble spectra of black chondrites but are also comparable to spectra of some carbonaceous chondrites

  5. Advances and Recent Trends in Heterogeneous Photo(Electro-Catalysis for Solar Fuels and Chemicals

    Directory of Open Access Journals (Sweden)

    James Highfield

    2015-04-01

    Full Text Available In the context of a future renewable energy system based on hydrogen storage as energy-dense liquid alcohols co-synthesized from recycled CO2, this article reviews advances in photocatalysis and photoelectrocatalysis that exploit solar (photonic primary energy in relevant endergonic processes, viz., H2 generation by water splitting, bio-oxygenate photoreforming, and artificial photosynthesis (CO2 reduction. Attainment of the efficiency (>10% mandated for viable techno-economics (USD 2.00–4.00 per kg H2 and implementation on a global scale hinges on the development of photo(electrocatalysts and co-catalysts composed of earth-abundant elements offering visible-light-driven charge separation and surface redox chemistry in high quantum yield, while retaining the chemical and photo-stability typical of titanium dioxide, a ubiquitous oxide semiconductor and performance “benchmark”. The dye-sensitized TiO2 solar cell and multi-junction Si are key “voltage-biasing” components in hybrid photovoltaic/photoelectrochemical (PV/PEC devices that currently lead the field in performance. Prospects and limitations of visible-absorbing particulates, e.g., nanotextured crystalline α-Fe2O3, g-C3N4, and TiO2 sensitized by C/N-based dopants, multilayer composites, and plasmonic metals, are also considered. An interesting trend in water splitting is towards hydrogen peroxide as a solar fuel and value-added green reagent. Fundamental and technical hurdles impeding the advance towards pre-commercial solar fuels demonstration units are considered.

  6. Advances and recent trends in heterogeneous photo(electro)-catalysis for solar fuels and chemicals.

    Science.gov (United States)

    Highfield, James

    2015-04-15

    In the context of a future renewable energy system based on hydrogen storage as energy-dense liquid alcohols co-synthesized from recycled CO2, this article reviews advances in photocatalysis and photoelectrocatalysis that exploit solar (photonic) primary energy in relevant endergonic processes, viz., H2 generation by water splitting, bio-oxygenate photoreforming, and artificial photosynthesis (CO2 reduction). Attainment of the efficiency (>10%) mandated for viable techno-economics (USD 2.00-4.00 per kg H2) and implementation on a global scale hinges on the development of photo(electro)catalysts and co-catalysts composed of earth-abundant elements offering visible-light-driven charge separation and surface redox chemistry in high quantum yield, while retaining the chemical and photo-stability typical of titanium dioxide, a ubiquitous oxide semiconductor and performance "benchmark". The dye-sensitized TiO2 solar cell and multi-junction Si are key "voltage-biasing" components in hybrid photovoltaic/photoelectrochemical (PV/PEC) devices that currently lead the field in performance. Prospects and limitations of visible-absorbing particulates, e.g., nanotextured crystalline α-Fe2O3, g-C3N4, and TiO2 sensitized by C/N-based dopants, multilayer composites, and plasmonic metals, are also considered. An interesting trend in water splitting is towards hydrogen peroxide as a solar fuel and value-added green reagent. Fundamental and technical hurdles impeding the advance towards pre-commercial solar fuels demonstration units are considered.

  7. Modification of Textile Materials' Surface Properties Using Chemical Softener

    Directory of Open Access Journals (Sweden)

    Jurgita KOŽENIAUSKIENĖ

    2011-03-01

    Full Text Available In the present study the effect of technological treatment involving the processes of washing or washing and softening with chemical cationic softener "Surcase" produced in Great Britain on the surface properties of cellulosic textile materials manufactured from cotton, bamboo and viscose spun yarns was investigated. The changes in textile materials surface properties were evaluated using KTU-Griff-Tester device and FEI Quanta 200 FEG scanning electron microscope (SEM. It was observed that the worst hand properties and the higher surface roughness are observed of cotton materials if compared with those of bamboo and viscose materials. Also, it was shown that depending on the material structure the handle parameters of knitted materials are the better than the ones of woven fabrics.http://dx.doi.org/10.5755/j01.ms.17.1.249

  8. Surface treatments for biological, chemical and physical applications

    CERN Document Server

    Karaman, Mustafa

    2017-01-01

    A step-by-step guide to the topic with a mix of theory and practice in the fields of biology, chemistry and physics. Straightforward and well-structured, the first chapter introduces fundamental aspects of surface treatments, after which examples from nature are given. Subsequent chapters discuss various methods to surface modification, including chemical and physical approaches, followed by the characterization of the functionalized surfaces. Applications discussed include the lotus effect, diffusion barriers, enzyme immobilization and catalysis. Finally, the book concludes with a look at future technology advances. Throughout the text, tutorials and case studies are used for training purposes to grant a deeper understanding of the topic, resulting in an essential reference for students as well as for experienced engineers in R&D.

  9. Reduced chemical warfare agent sorption in polyurethane-painted surfaces via plasma-enhanced chemical vapor deposition of perfluoroalkanes.

    Science.gov (United States)

    Gordon, Wesley O; Peterson, Gregory W; Durke, Erin M

    2015-04-01

    Perfluoralkalation via plasma chemical vapor deposition has been used to improve hydrophobicity of surfaces. We have investigated this technique to improve the resistance of commercial polyurethane coatings to chemicals, such as chemical warfare agents. The reported results indicate the surface treatment minimizes the spread of agent droplets and the sorption of agent into the coating. The improvement in resistance is likely due to reduction of the coating's surface free energy via fluorine incorporation, but may also have contributing effects from surface morphology changes. The data indicates that plasma-based surface modifications may have utility in improving chemical resistance of commercial coatings.

  10. Two-wavelength Method Estimates Heat fluxes over Heterogeneous Surface in North-China

    Science.gov (United States)

    Zhang, G.; Zheng, N.; Zhang, J.

    2017-12-01

    Heat fluxes is a key process of hydrological and heat transfer of soil-plant-atmosphere continuum (SPAC), and now it is becoming an important topic in meteorology, hydrology, ecology and other related research areas. Because the temporal and spatial variation of fluxes at regional scale is very complicated, it is still difficult to measure fluxes at the kilometer scale over a heterogeneous surface. A technique called "two-wavelength method" which combines optical scintillometer with microwave scintillometer is able to measure both sensible and latent heat fluxes over large spatial scales at the same time. The main purpose of this study is to investigate the fluxes over non-uniform terrain in North-China. Estimation of heat fluxes was carried out with the optical-microwave scintillometer and an eddy covariance (EC) system over heterogeneous surface in Tai Hang Mountains, China. EC method was set as a benchmark in the study. Structure parameters obtained from scintillometer showed that the typical measurement values of Cn2 are around 10-13 m-2/3 for microwave scintillometer, and values of Cn2 were around 10-15 m-2/3 for optical scintillometer. The correlation of heat fluxes (H) derived from scintillometer and EC system showed as a ratio of 1.05,and with R2=0.75, while the correlation of latent heat fluxes (LE) showed as 1.29 with R2=0.67. It was also found that heat fluxes derived from the two system showed good agreement (R2=0.9 for LE, R2=0.97 for H) when the Bowen ratio (β) was 1.03, while discrepancies showed significantly when β=0.75, and RMSD in H was 139.22 W/m2, 230.85 W/m2 in LE respectively.Experiment results in our research shows that, the two-wavelength method gives a larger heat fluxes over the study area, and a deeper study should be conduct. We expect that our investigate and analysis can be promoted the application of scintillometry method in regional evapotranspiration measurements and relevant disciplines.

  11. Shallow to Deep Convection Transition over a Heterogeneous Land Surface Using the Land Model Coupled Large-Eddy Simulation

    Science.gov (United States)

    Lee, J.; Zhang, Y.; Klein, S. A.

    2017-12-01

    The triggering of the land breeze, and hence the development of deep convection over heterogeneous land should be understood as a consequence of the complex processes involving various factors from land surface and atmosphere simultaneously. That is a sub-grid scale process that many large-scale models have difficulty incorporating it into the parameterization scheme partly due to lack of our understanding. Thus, it is imperative that we approach the problem using a high-resolution modeling framework. In this study, we use SAM-SLM (Lee and Khairoutdinov, 2015), a large-eddy simulation model coupled to a land model, to explore the cloud effect such as cold pool, the cloud shading and the soil moisture memory on the land breeze structure and the further development of cloud and precipitation over a heterogeneous land surface. The atmospheric large scale forcing and the initial sounding are taken from the new composite case study of the fair-weather, non-precipitating shallow cumuli at ARM SGP (Zhang et al., 2017). We model the land surface as a chess board pattern with alternating leaf area index (LAI). The patch contrast of the LAI is adjusted to encompass the weak to strong heterogeneity amplitude. The surface sensible- and latent heat fluxes are computed according to the given LAI representing the differential surface heating over a heterogeneous land surface. Separate from the surface forcing imposed from the originally modeled surface, the cases that transition into the moist convection can induce another layer of the surface heterogeneity from the 1) radiation shading by clouds, 2) adjusted soil moisture pattern by the rain, 3) spreading cold pool. First, we assess and quantifies the individual cloud effect on the land breeze and the moist convection under the weak wind to simplify the feedback processes. And then, the same set of experiments is repeated under sheared background wind with low level jet, a typical summer time wind pattern at ARM SGP site, to

  12. Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

    Science.gov (United States)

    Puosi, F.; Jakse, N.; Pasturel, A.

    2018-04-01

    As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

  13. Analysis of the land surface heterogeneity and its impact on atmospheric variables and the aerodynamic and thermodynamic roughness lengths

    NARCIS (Netherlands)

    Ma, Y.M.; Menenti, M.; Feddes, R.A.; Wang, J.M.

    2008-01-01

    The land surface heterogeneity has a very significant impact on atmospheric variables (air temperature T-a, wind speed u, and humidity q), the aerodynamic roughness length z(0m), thermodynamic roughness length z(0h), and the excess resistance to heat transfer kB(-1). First, in this study the land

  14. Spectral force analysis using atomic force microscopy reveals the importance of surface heterogeneity in bacterial and colloid adhesion to engineered surfaces.

    Science.gov (United States)

    Ma, Huilian; Winslow, Charles J; Logan, Bruce E

    2008-04-01

    Coatings developed to reduce biofouling of engineered surfaces do not always perform as expected based on their native properties. One reason is that a relatively small number of highly adhesive sites, or the heterogeneity of the coated surface, may control the overall response of the system to initial bacterial deposition. It is shown here using an approach we call spectral force analysis (SFA), based on force volume imaging of the surface with atomic force microscopy, that the behavior of surfaces and coatings can be better understood relative to bacterial adhesion. The application of vapor deposited TiO(2) metal oxide increased bacterial and colloid adhesion, but coating the surface with silica oxide reduced adhesion in a manner consistent with SFA based on analysis of the "stickiest" sites. Application of a TiO(2)-based paint to a surface produced a relatively non-fouling surface. Addition of a hydrophilic layer coating to this surface should have decreased fouling. However, it was observed that this coating actually increased fouling. Using SFA it was shown that the reason for the increased adhesion of bacteria and particles to the hydrophilic layer was that the surface produced by this coating was highly heterogeneous, resulting in a small number of sites that created a stickier surface. These results show that while it is important to manufacture surfaces with coatings that are relatively non-adhesive to bacteria, it is also essential that these coatings have a highly uniform surface chemistry.

  15. Egg shell waste as heterogeneous nanocatalyst for biodiesel production: Optimized by response surface methodology.

    Science.gov (United States)

    Pandit, Priti R; Fulekar, M H

    2017-08-01

    Worldwide consumption of hen eggs results in availability of large amount of discarded egg waste particularly egg shells. In the present study, the waste shells were utilized for the synthesis of highly active heterogeneous calcium oxide (CaO) nanocatalyst to transesterify dry biomass into methyl esters (biodiesel). The CaO nanocatalyst was synthesied by calcination-hydration-dehydration technique and fully characterized by infrared spectroscopy, X-ray powder diffraction (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), brunauer-emmett-teller (BET) elemental and thermogravimetric analysis. TEM image showed that the nano catalyst had spherical shape with average particle size of 75 nm. BET analysis indicated that the catalyst specific surface area was 16.4 m 2  g -1 with average pore diameter of 5.07 nm. The effect of nano CaO catalyst was investigated by direct transesterification of dry biomass into biodiesel along with other reaction parameters such as catalyst ratio, reaction time and stirring rate. The impact of the transesterification reaction parameters and microalgal biodiesel yield were analyzed by response surface methodology based on a full factorial, central composite design. The significance of the predicted mode was verified and 86.41% microalgal biodiesel yield was reported at optimal parameter conditions 1.7% (w/w), catalyst ratio, 3.6 h reaction time and stirring rate of 140.6 rpm. The biodiesel conversion was determined by 1 H nuclear magnetic resonance spectroscopy (NMR). The fuel properties of prepared biodiesel were found to be highly comply with the biodiesel standard ASTMD6751 and EN14214. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Reactive solute transport in physically and chemically heterogeneous porous media with multimodal reactive mineral facies: the Lagrangian approach.

    Science.gov (United States)

    Soltanian, Mohamad Reza; Ritzi, Robert W; Dai, Zhenxue; Huang, Chao Cheng

    2015-03-01

    Physical and chemical heterogeneities have a large impact on reactive transport in porous media. Examples of heterogeneous attributes affecting reactive mass transport are the hydraulic conductivity (K), and the equilibrium sorption distribution coefficient (Kd). This paper uses the Deng et al. (2013) conceptual model for multimodal reactive mineral facies and a Lagrangian-based stochastic theory in order to analyze the reactive solute dispersion in three-dimensional anisotropic heterogeneous porous media with hierarchical organization of reactive minerals. An example based on real field data is used to illustrate the time evolution trends of reactive solute dispersion. The results show that the correlation between the hydraulic conductivity and the equilibrium sorption distribution coefficient does have a significant effect on reactive solute dispersion. The anisotropy ratio does not have a significant effect on reactive solute dispersion. Furthermore, through a sensitivity analysis we investigate the impact of changing the mean, variance, and integral scale of K and Kd on reactive solute dispersion. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. The morphology of coconut fiber surface under chemical treatment

    OpenAIRE

    Arsyad, Muhammad; Wardana, I Nyoman Gede; Pratikto,; Irawan, Yudy Surya

    2015-01-01

    The objective of this study was to determine the effect of chemical treatment on the coconut fiber surface morphology. This study is divided into three stages, preparation of materials, treatment and testing of coconut fiber. The first treatment is coconut fiber soaked in a solution of NaOH for 3 hours with concentration, respectively 5%, 10%, 15%, and 20%. The second treatment is coconut fiber soaked in KMnO4 solution with a concentration of 0.25%, 0.5%, 0.75%, and 1% for 3 hours. The third ...

  18. Enhancement of Bacterial Transport in Aerobic and Anaerobic Environments: Assessing the Effect of Metal Oxide Chemical Heterogeneities

    International Nuclear Information System (INIS)

    T.C. Onstott

    2005-01-01

    The goal of our research was to understand the fundamental processes that control microbial transport in physically and chemically heterogeneous aquifers and from this enhanced understanding determine the requirements for successful, field-scale delivery of microorganisms to metal contaminated subsurface sites. Our specific research goals were to determine; (1) the circumstances under which the preferential adsorption of bacteria to Fe, Mn, and Al oxyhydroxides influences field-scale bacterial transport, (2) the extent to which the adhesion properties of bacterial cells affect field-scale bacterial transport, (3) whether microbial Fe(III) reduction can enhance field-scale transport of Fe reducing bacteria (IRB) and other microorganisms and (4) the effect of field-scale physical and chemical heterogeneity on all three processes. Some of the spin-offs from this basic research that can improve biostimulation and bioaugmentation remediation efforts at contaminated DOE sites have included; (1) new bacterial tracking tools for viable bacteria; (2) an integrated protocol which combines subsurface characterization, laboratory-scale experimentation, and scale-up techniques to accurately predict field-scale bacterial transport; and (3) innovative and inexpensive field equipment and methods that can be employed to enhance Fe(III) reduction and microbial transport and to target microbial deposition under both aerobic and anaerobic conditions

  19. The Modelling Analysis of the Response of Convective Transport of Energy and Water to Multiscale Surface Heterogeneity over Tibetan Plateau

    Science.gov (United States)

    SUN, G.; Hu, Z.; Ma, Y.; Ma, W.

    2017-12-01

    The land-atmospheric interactions over a heterogeneous surface is a tricky issue for accurately understanding the energy-water exchanges between land surface and atmosphere. We investigate the vertical transport of energy and water over a heterogeneous land surface in Tibetan Plateau during the evolution of the convective boundary layer using large eddy simulation (WRF_LES). The surface heterogeneity is created according to remote sensing images from high spatial resolution LandSat ETM+ images. The PBL characteristics over a heterogeneous surface are analyzed in terms of secondary circulations under different background wind conditions based on the horizontal and vertical distribution and evolution of wind. The characteristics of vertical transport of energy and heat over a heterogeneous surface are analyzed in terms of the horizontal distribution as well as temporal evolution of sensible and latent heat fluxes at different heights under different wind conditions on basis of the simulated results from WRF_LES. The characteristics of the heat and water transported into the free atmosphere from surface are also analyzed and quantified according to the simulated results from WRF_LES. The convective transport of energy and water are analyzed according to horizontal and vertical distributions of potential temperature and vapor under different background wind conditions. With the analysis based on the WRF_LES simulation, the performance of PBL schemes of mesoscale simulation (WRF_meso) is evaluated. The comparison between horizontal distribution of vertical fluxes and domain-averaged vertical fluxes of the energy and water in the free atmosphere is used to evaluate the performance of PBL schemes of WRF_meso in the simulation of vertical exchange of energy and water. This is an important variable because only the energy and water transported into free atmosphere is able to influence the regional and even global climate. This work would will be of great significance not

  20. Surface with two paint strips for detection and warning of chemical warfare and radiological agents

    Science.gov (United States)

    Farmer, Joseph C.

    2013-04-02

    A system for warning of corrosion, chemical, or radiological substances. The system comprises painting a surface with a paint or coating that includes an indicator material and monitoring the surface for indications of the corrosion, chemical, or radiological substances.

  1. Adhesive and morphological characteristics of surface chemically modified polytetrafluoroethylene films

    International Nuclear Information System (INIS)

    Hopp, B.; Kresz, N.; Kokavecz, J.; Smausz, T.; Schieferdecker, H.; Doering, A.; Marti, O.; Bor, Z.

    2004-01-01

    In the present paper, we report an experimental determination of adhesive and topographic characteristics of chemically modified surface of polytetrafluoroethylene (PTFE) films. The surface chemistry was modified by ArF excimer laser irradiation in presence of triethylene-tetramine photoreagent. The applied laser fluence was varied in the range of 0.4-9 mJ/cm 2 , and the number of laser pulses incident on the same area was 1500. To detect the changes in the adhesive features of the treated Teflon samples, we measured receding contact angle for distilled water and adhesion strength, respectively. It was found that the receding contact angle decreased from 96 deg. to 30-37 deg. and the adhesion strength of two-component epoxy glue to the treated sample surface increased from 0.03 to 9 MPa in the applied laser fluence range. Additionally, it was demonstrated that the adhesion of human cells to the modified Teflon samples is far better than to the untreated ones. The contact mode and pulsed force mode atomic force microscopic investigations of the treated samples demonstrated that the measured effective contact area of the irradiated films does not differ significantly from that of the original films, but the derived adhesion force is stronger on the modified samples than on the untreated ones. Hence, the increased adhesion of the treated Teflon films is caused by the higher surface energy

  2. The Chemical Origin of SEY at Technical Surfaces

    CERN Document Server

    Larciprete, R.; Commisso, M.; Flammini, R.; Cimino, R.

    2013-04-22

    The secondary emission yield (SEY) properties of colaminated Cu samples for LHC beam screens are correlated to the surface chemical composition determined by X-ray photoelectron spectroscopy. The surface of the "as received" samples is characterized by the presence of significant quantities of contaminating adsorbates and by the maximum of the SEY curve (dmax) being as high as 2.2. After extended electron scrubbing at kinetic energy of 10 and 500 eV, the dmax value drops to the ultimate values of 1.35 and 1.1, respectively. In both cases the surface oxidized phases are significantly reduced, whereas only in the sample scrubbed at 500 eV the formation of a graphitic-like C layer is observed. We find that the electron scrubbing of technical Cu surfaces can be described as occurring in two steps, where the first step consists in the electron induced desorption of weakly bound contaminants that occurs indifferently at 10 and at 500 eV and corresponds to a partial decrease of dmax, and the second step, activated b...

  3. Effect of surface free energies on the heterogeneous nucleation of water droplet: A molecular dynamics simulation approach

    Energy Technology Data Exchange (ETDEWEB)

    Xu, W.; Lan, Z.; Peng, B. L.; Wen, R. F.; Ma, X. H., E-mail: xuehuma@dlut.edu.cn [Liaoning Provincial Key Laboratory of Clean Utilization of Chemical Resources, Institute of Chemical Engineering, Dalian University of Technology, Dalian 116024 (China)

    2015-02-07

    Heterogeneous nucleation of water droplet on surfaces with different solid-liquid interaction intensities is investigated by molecular dynamics simulation. The interaction potentials between surface atoms and vapor molecules are adjusted to obtain various surface free energies, and the nucleation process and wetting state of nuclei on surfaces are investigated. The results indicate that near-constant contact angles are already established for nano-scale nuclei on various surfaces, with the contact angle decreasing with solid-liquid interaction intensities linearly. Meanwhile, noticeable fluctuation of vapor-liquid interfaces can be observed for the nuclei that deposited on surfaces, which is caused by the asymmetric forces from vapor molecules. The formation and growth rate of nuclei are increasing with the solid-liquid interaction intensities. For low energy surface, the attraction of surface atoms to water molecules is comparably weak, and the pre-existing clusters can depart from the surface and enter into the bulk vapor phase. The distribution of clusters within the bulk vapor phase becomes competitive as compared with that absorbed on surface. For moderate energy surfaces, heterogeneous nucleation predominates and the formation of clusters within bulk vapor phase is suppressed. The effect of high energy particles that embedded in low energy surface is also discussed under the same simulation system. The nucleation preferably initiates on the high energy particles, and the clusters that formed on the heterogeneous particles are trapped around their original positions instead of migrating around as that observed on smooth surfaces. This feature makes it possible for the heterogeneous particles to act as fixed nucleation sites, and simulation results also suggest that the number of nuclei increases monotonously with the number of high energy particles. The growth of nuclei on high energy particles can be divided into three sub-stages, beginning with the formation

  4. BAERLIN2014 – the influence of land surface types on and the horizontal heterogeneity of air pollutant levels in Berlin

    Directory of Open Access Journals (Sweden)

    B. Bonn

    2016-06-01

    -wise measurement of volatile organic compounds (VOCs at representative sites for traffic- and vegetation-affected sites. The quantification displayed notable horizontal heterogeneity of the short-lived gases and particle number concentrations. For example, baseline concentrations of the traffic-related chemical species CO and NO varied on average by up to ±22.2 and ±63.5 %, respectively, on the scale of 100 m around any measurement location. Airborne observations revealed the dominant source of elevated urban particulate number and mass concentrations being local, i.e., not being caused by long-range transport. Surface-based observations related these two parameters predominantly to traffic sources. Vegetated areas lowered the pollutant concentrations substantially with ozone being reduced most by coniferous forests, which is most likely caused by their reactive biogenic VOC emissions. With respect to the overall potential to reduce air pollutant levels, forests were found to result in the largest decrease, followed by parks and facilities for sports and leisure. Surface temperature was generally 0.6–2.1 °C lower in vegetated regions, which in turn will have an impact on tropospheric chemical processes. Based on our findings, effective future mitigation activities to provide a more sustainable and healthier urban environment should focus predominantly on reducing fossil-fuel emissions from traffic as well as on increasing vegetated areas.

  5. The Effects of Realistic Geological Heterogeneity on Seismic Modeling: Applications in Shear Wave Generation and Near-Surface Tunnel Detection

    Science.gov (United States)

    Sherman, Christopher Scott

    Naturally occurring geologic heterogeneity is an important, but often overlooked, aspect of seismic wave propagation. This dissertation presents a strategy for modeling the effects of heterogeneity using a combination of geostatistics and Finite Difference simulation. In the first chapter, I discuss my motivations for studying geologic heterogeneity and seis- mic wave propagation. Models based upon fractal statistics are powerful tools in geophysics for modeling heterogeneity. The important features of these fractal models are illustrated using borehole log data from an oil well and geomorphological observations from a site in Death Valley, California. A large part of the computational work presented in this disserta- tion was completed using the Finite Difference Code E3D. I discuss the Python-based user interface for E3D and the computational strategies for working with heterogeneous models developed over the course of this research. The second chapter explores a phenomenon observed for wave propagation in heteroge- neous media - the generation of unexpected shear wave phases in the near-source region. In spite of their popularity amongst seismic researchers, approximate methods for modeling wave propagation in these media, such as the Born and Rytov methods or Radiative Trans- fer Theory, are incapable of explaining these shear waves. This is primarily due to these method's assumptions regarding the coupling of near-source terms with the heterogeneities and mode conversion. To determine the source of these shear waves, I generate a suite of 3D synthetic heterogeneous fractal geologic models and use E3D to simulate the wave propaga- tion for a vertical point force on the surface of the models. I also present a methodology for calculating the effective source radiation patterns from the models. The numerical results show that, due to a combination of mode conversion and coupling with near-source hetero- geneity, shear wave energy on the order of 10% of the

  6. A novel surface cleaning method for chemical removal of fouling lead layer from chromium surfaces

    International Nuclear Information System (INIS)

    Gholivand, Kh.; Khosravi, M.; Hosseini, S.G.; Fathollahi, M.

    2010-01-01

    Most products especially metallic surfaces require cleaning treatment to remove surface contaminations that remain after processing or usage. Lead fouling is a general problem which arises from lead fouling on the chromium surfaces of bores and other interior parts of systems which have interaction with metallic lead in high temperatures and pressures. In this study, a novel chemical solution was introduced as a cleaner reagent for removing metallic lead pollution, as a fouling metal, from chromium surfaces. The cleaner aqueous solution contains hydrogen peroxide (H 2 O 2 ) as oxidizing agent of lead layer on the chromium surface and acetic acid (CH 3 COOH) as chelating agent of lead ions. The effect of some experimental parameters such as acetic acid concentration, hydrogen peroxide concentration and temperature of the cleaner solution during the operation on the efficiency of lead cleaning procedure was investigated. The results of scanning electron microscopy (SEM) showed that using this procedure, the lead pollution layer could be completely removed from real chromium surfaces without corrosion of the original surface. Finally, the optimum conditions for the complete and fast removing of lead pollution layer from chromium surfaces were proposed. The experimental results showed that at the optimum condition (acetic acid concentration 28% (V/V), hydrogen peroxide 8% (V/V) and temperature 35 deg. C), only 15-min time is needed for complete removal of 3 g fouling lead from a chromium surface.

  7. Pronounced zonal heterogeneity in Eocene southern high-latitude sea surface temperatures.

    Science.gov (United States)

    Douglas, Peter M J; Affek, Hagit P; Ivany, Linda C; Houben, Alexander J P; Sijp, Willem P; Sluijs, Appy; Schouten, Stefan; Pagani, Mark

    2014-05-06

    Paleoclimate studies suggest that increased global warmth during the Eocene epoch was greatly amplified at high latitudes, a state that climate models cannot fully reproduce. However, proxy estimates of Eocene near-Antarctic sea surface temperatures (SSTs) have produced widely divergent results at similar latitudes, with SSTs above 20 °C in the southwest Pacific contrasting with SSTs between 5 and 15 °C in the South Atlantic. Validation of this zonal temperature difference has been impeded by uncertainties inherent to the individual paleotemperature proxies applied at these sites. Here, we present multiproxy data from Seymour Island, near the Antarctic Peninsula, that provides well-constrained evidence for annual SSTs of 10-17 °C (1σ SD) during the middle and late Eocene. Comparison of the same paleotemperature proxy at Seymour Island and at the East Tasman Plateau indicate the presence of a large and consistent middle-to-late Eocene SST gradient of ∼7 °C between these two sites located at similar paleolatitudes. Intermediate-complexity climate model simulations suggest that enhanced oceanic heat transport in the South Pacific, driven by deep-water formation in the Ross Sea, was largely responsible for the observed SST gradient. These results indicate that very warm SSTs, in excess of 18 °C, did not extend uniformly across the Eocene southern high latitudes, and suggest that thermohaline circulation may partially control the distribution of high-latitude ocean temperatures in greenhouse climates. The pronounced zonal SST heterogeneity evident in the Eocene cautions against inferring past meridional temperature gradients using spatially limited data within given latitudinal bands.

  8. The surface chemical reactivity of particles and its impact on human health

    Science.gov (United States)

    Setyan, A.; Sauvain, J. J.; Riediker, M.; Guillemin, M.; Rossi, M. J.

    2017-12-01

    The chemical composition of the particle-air interface is the gateway to chemical reactions of gases with condensed phase particles. It is of prime importance to understand the reactivity of particles and their interaction with surrounding gases, biological membranes, and solid supports. We used a Knudsen flow reactor to quantify functional groups on the surface of a few selected particle types. This technique is based on a heterogeneous titration reaction between a probe gas and a specific functional group on the particle surface. Six probe gases have been selected for the identification and quantification of important functional groups: N(CH3)3 for the titration of acidic sites, NH2OH for the detection of carbonyl functions (aldehydes and ketones) and/or oxidized sites owing to its strong reducing properties, CF3COOH and HCl for basic sites of different strength, O3 and NO2 for oxidizable groups. We also studied the kinetics of the reactions between particles and probe gases (uptake coefficient γ0). We tested the surface chemical composition and oxidation states of laboratory-generated aerosols (3 amorphous carbons, 2 flame soots, 2 Diesel particles, 2 secondary organic aerosols [SOA], 4 multiwall carbon nanotubes [MWCNT], 3 TiO2, and 2 metal salts) and of aerosols sampled in several bus depots. The sampling of particles in the bus depots was accompanied by the collection of urine samples of mechanics working full-time in these bus depots, and the quantification of 8-hydroxy-2'-deoxyguanosine, a biomarker of oxidative stress. The increase in oxidative stress biomarker levels over a working day was correlated (pcellular antioxidants.

  9. Advanced Biocatalytic Processing of Heterogeneous Lignocellulosic Feedstocks to a Platform Chemical Intermediate (Lactic acid Ester)

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Sharon Shoemaker

    2004-09-03

    The development of commercial boi-based processes and products derived from agricultural waste biomass has the potential for significant impact on the economy and security of our nation. Adding value, rather than disposing of the waste of agriculture, can solve an environmental problem and reduce our dependence on foreign sources of fossil fuel for production of chemicals, materials and fuels.

  10. Heterogeneity in physical, chemical and plankton-community structures in Lake Tanganyika

    NARCIS (Netherlands)

    Langenberg, V.T.; Tumba, J.M.; Tshibangu, K.; Lukwesa, C.; Chitamwebwa, D.; Bwebwa, D.; Makasa, L.; Roijackers, R.M.M.

    2008-01-01

    From 28 August to 6 September 1995, we monitored the lake-wide physical, chemical and biological properties of the pelagic waters in Lake Tanganyika. The aim of this study was to examine the spatial environmental variability and its relation to fluctuations in plankton abundance and community

  11. Direct-push geochemical profiling for assessment of inorganic chemical heterogeneity in aquifers

    Science.gov (United States)

    Schulmeister, M.K.; Healey, J.M.; Butler, J.J.; McCall, G.W.

    2004-01-01

    Discrete-depth sampling of inorganic groundwater chemistry is essential for a variety of site characterization activities. Although the mobility and rapid sampling capabilities of direct-push techniques have led to their widespread use for evaluating the distribution of organic contaminants, complementary methods for the characterization of spatial variations in geochemical conditions have not been developed. In this study, a direct-push-based approach for high-resolution inorganic chemical profiling was developed at a site where sharp chemical contrasts and iron-reducing conditions had previously been observed. Existing multilevel samplers (MLSs) that span a fining-upward alluvial sequence were used for comparison with the direct-push profiling. Chemical profiles obtained with a conventional direct-push exposed-screen sampler differed from those obtained with an adjacent MLS because of sampler reactivity and mixing with water from previous sampling levels. The sampler was modified by replacing steel sampling components with stainless-steel and heat-treated parts, and adding an adapter that prevents mixing. Profiles obtained with the modified approach were in excellent agreement with those obtained from an adjacent MLS for all constituents and parameters monitored (Cl, NO3, Fe, Mn, DO, ORP, specific conductance and pH). Interpretations of site redox conditions based on field-measured parameters were supported by laboratory analysis of dissolved Fe. The discrete-depth capability of this approach allows inorganic chemical variations to be described at a level of detail that has rarely been possible. When combined with the mobility afforded by direct-push rigs and on-site methods of chemical analysis, the new approach is well suited for a variety of interactive site-characterization endeavors. ?? 2003 Elsevier B.V. All rights reserved.

  12. Modeling the large-scale effects of surface moisture heterogeneity on wetland carbon fluxes in the West Siberian Lowland

    Directory of Open Access Journals (Sweden)

    T. J. Bohn

    2013-10-01

    Full Text Available We used a process-based model to examine the role of spatial heterogeneity of surface and sub-surface water on the carbon budget of the wetlands of the West Siberian Lowland over the period 1948–2010. We found that, while surface heterogeneity (fractional saturated area had little overall effect on estimates of the region's carbon fluxes, sub-surface heterogeneity (spatial variations in water table depth played an important role in both the overall magnitude and spatial distribution of estimates of the region's carbon fluxes. In particular, to reproduce the spatial pattern of CH4 emissions recorded by intensive in situ observations across the domain, in which very little CH4 is emitted north of 60° N, it was necessary to (a account for CH4 emissions from unsaturated wetlands and (b use spatially varying methane model parameters that reduced estimated CH4 emissions in the northern (permafrost half of the domain (and/or account for lower CH4 emissions under inundated conditions. Our results suggest that previous estimates of the response of these wetlands to thawing permafrost may have overestimated future increases in methane emissions in the permafrost zone.

  13. Chemical reaction on solid surface observed through isotope tracer technique

    International Nuclear Information System (INIS)

    Tanaka, Ken-ichi

    1983-01-01

    In order to know the role of atoms and ions on solid surfaces as the partners participating in elementary processes, the literatures related to the isomerization and hydrogen exchanging reaction of olefines, the hydrogenation of olefines, the metathesis reaction and homologation of olefines based on solid catalysts were reviewed. Various olefines, of which the hydrogen atoms were substituted with deuterium at desired positions, were reacted using various solid catalysts such as ZnO, K 2 CO 3 on C, MoS 2 (single crystal and powder) and molybdenum oxide (with various carriers), and the infra-red spectra of adsorbed olefines on catalysts, the isotope composition of reaction products and the production rate of the reaction products were measured. From the results, the bonding mode of reactant with the atoms and ions on solid surfaces, and the mechanism of the elementary process were considered. The author emphasized that the mechanism of the chemical reaction on solid surfaces and the role of active points or catalysts can be made clear to the considerable extent by combining isotopes suitably. (Yoshitake, I.)

  14. Chemical Evidence for Vertical Transport from Magma Chambers to the Surface During Mid-Ocean Ridge Volcanic Eruptions

    Science.gov (United States)

    Sinton, J. M.; Rubin, K. H.

    2009-12-01

    Many mid-ocean ridge eruptions show significant internal chemical heterogeneity; in general, the amount of chemical heterogeneity within eruptions scales with erupted volume. These variations reflect magmatic processes occurring in magma reservoirs prior to or possibly during eruption. For example, systematic variations in Mg# with along-axis distance in the early 90’s Aldo-Kihi (S. EPR near 17.5°S), 1996 N. Gorda, 1993 Co-Axial (Juan de Fuca Ridge), and 1991-2 and 2005-6 9°50’N EPR eruptions is unlikely to be related to fractionation during emplacement, and rather reflects variations in sub-axial magma reservoirs prior to eruption. Such variations are inconsistent with well-mixed sub-axial reservoirs and, in some cases, require relatively long-lived, systematic variations in reservoir temperatures along axis. Chemical heterogeneity within the Aldo-Kihi eruption preserves spatial variations in mantle-derived isotopic and trace element ratios with implications for the temporal and spatial scales of magma injections to the crust and along-axis mixing within shallow reservoirs. These spatial variations are difficult to reconcile with significant (> ~1 km) along-axis magma transport, as are striking correlations of chemical compositions with surface geological discontinuities or seismically imaged sub-axial magma chamber reflectors in the S. Hump (S. EPR), 9°50’N EPR, N. Gorda and 1975-1984 Krafla (N. Iceland) eruptive units. Rather, spatial correlations between surface lava compositions and sub-axial magma chamber properties or long-lived axial morphology suggest that most of the erupted magma was transported nearly vertically from the underlying reservoirs to the surface during these eruptions. In the case of the Krafla eruption, coincident deformation suggests a component of lateral melt migration at depth, despite chemical evidence for vertical transport of erupted lava from more than one chemical reservoir. In addition, along-ridge movement of earthquake

  15. Investigation of interaction between the Pt(II) ions and aminosilane-modified silica surface in heterogeneous system

    Science.gov (United States)

    Nowicki, Waldemar; Gąsowska, Anna; Kirszensztejn, Piotr

    2016-05-01

    UV-vis spectroscopy measurements confirmed the reaction in heterogeneous system between Pt(II) ions and ethylenediamine type ligand, n-(2-aminoethyl)-3-aminopropyl-trimethoxysilane, immobilized at the silica surface. The formation of complexes is a consequence of interaction between the amine groups from the ligand grafted onto SiO2 and ions of platinum. A potentiometric titration technique was to determine the stability constants of complexes of Pt(II) with immobilized insoluble ligand (SG-L), on the silica gel. The results show the formation of three surface complexes of the same type (PtHSG-L, Pt(HSG-L)2, PtSG-L) with SG-L ligand, in a wide range of pH for different Debye length. The concentration distribution of the complexes in a heterogeneous system is evaluated.

  16. Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial Considerations

    International Nuclear Information System (INIS)

    Vilcocq, L.; Cabiac, A.; Guillon, E.; Especel, C.; Duprez, D.

    2013-01-01

    Decreasing oil supplies and increasing energy demand provide incentives to find alternative fuels. First, the valorisation of edible crops for ethanol and bio-diesel production led to first generation biofuels. Nowadays, research is focused on lignocellulosic biomass as a source of renewable carbon (second generation biofuels). Whereas the cellulosic ethanol production is in progress, a new way consisting of the transformation of ex-lignocellulose sugars and polyols towards light hydrocarbons by heterogeneous catalysis in aqueous phase has been recently described. This process is performed under mild conditions (T < 300 deg. C and P < 50 bar). It requires on one hand hydrogen formation by catalytic reforming of carbohydrates in aqueous phase and on the other hand, the dehydration/hydrogenation of polyols leading to alkanes by selective C-O bond cleavages. The challenge here is to conceive multifunctional catalytic systems that are stable, active and selective under the reaction conditions. The aim of this article is to present the involved reactions, the catalytic systems described in literature for that kind of transformation and examples of industrial applications. (authors)

  17. Evaluation of chemical surface treatment methods for mitigation of PWSCC

    International Nuclear Information System (INIS)

    Dame, C.; Marks, C.; Olender, A.; Farias, J.

    2015-01-01

    As part of its mission to propose innovative and safe technologies to mitigate Primary Water Stress Corrosion Cracking (PWSCC) in Pressurized Water Reactors (PWR), EPRI recently initiated a program to evaluate potential new chemical surface treatments that might delay the occurrence of PWSCC such that no failure of components would be observed during their lifetime. Among the initial screening of more than thirty technologies, seven were selected for a more detailed review. The selected technologies were: nickel and nickel alloy plating, organic inhibitors, chromium-based inhibitors, silicon carbide, titanium-based inhibitors, rare earth metal (REM)-based inhibitors and encapsulation. The conclusions of the review of these technologies were that two of them were worth pursuing, titanium-based and REM-based inhibitors, and that evaluating the radiological consequences of injecting these products in the primary system, as well as assessing their efficacy to mitigate PWSCC, should be prioritized as the next required steps in qualification for implementation. (authors)

  18. The heterogeneity and spatial patterning of structure and physiology across the leaf surface in giant leaves of Alocasia macrorrhiza.

    Directory of Open Access Journals (Sweden)

    Shuai Li

    Full Text Available Leaf physiology determines the carbon acquisition of the whole plant, but there can be considerable variation in physiology and carbon acquisition within individual leaves. Alocasia macrorrhiza (L. Schott is an herbaceous species that can develop very large leaves of up to 1 m in length. However, little is known about the hydraulic and photosynthetic design of such giant leaves. Based on previous studies of smaller leaves, and on the greater surface area for trait variation in large leaves, we hypothesized that A. macrorrhiza leaves would exhibit significant heterogeneity in structure and function. We found evidence of reduced hydraulic supply and demand in the outer leaf regions; leaf mass per area, chlorophyll concentration, and guard cell length decreased, as did stomatal conductance, net photosynthetic rate and quantum efficiency of photosystem II. This heterogeneity in physiology was opposite to that expected from a thinner boundary layer at the leaf edge, which would have led to greater rates of gas exchange. Leaf temperature was 8.8°C higher in the outer than in the central region in the afternoon, consistent with reduced stomatal conductance and transpiration caused by a hydraulic limitation to the outer lamina. The reduced stomatal conductance in the outer regions would explain the observed homogeneous distribution of leaf water potential across the leaf surface. These findings indicate substantial heterogeneity in gas exchange across the leaf surface in large leaves, greater than that reported for smaller-leafed species, though the observed structural differences across the lamina were within the range reported for smaller-leafed species. Future work will determine whether the challenge of transporting water to the outer regions can limit leaf size for plants experiencing drought, and whether the heterogeneity of function across the leaf surface represents a particular disadvantage for large simple leaves that might explain their

  19. Numerical simulations of heterogeneous chemical reactions coupled to fluid flow in varying thermal fields

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1991-11-01

    A numerical simulator of reactive chemical transport with coupling from precipitation-dissolution reactions to fluid flow, via changes of porosity and permeability, is applied to precipitation-dissolution of quartz and calcite in spatially and temporally variable fields of temperature. Significant effects on fluid flow are found in the quartz-silicic acid system in the presence of persistent, strong gradient of temperature. Transient heat flow in the quartz-silicic acid system and in a calcite-calcium ion-carbonato species system produces vanishingly small effects on fluid flow

  20. The physico-chemical, antigenic, and functional heterogeneity of human serum amyloid A

    International Nuclear Information System (INIS)

    Martin, M.E.; HUq, A.; Rosenthal, C.J.

    1986-01-01

    In the present study we attempted to develop a rapid method to isolate serum amyloid A isomers (SAA is.) and to determine whether this physicochemical heterogeneity corresponds to an antigenic and functional one. Pure human low molecular SAA (SAAL) was prepared from the serum of 6 patients (pts.) using standard techniques. Preparative isoelectric focusing in agarose/sephadex gels was used to separate SAAL is. Monoclonal antibodies (m. abs.) to SAAL and to AA were prepared by hybridization of P3XU-1 nonsecretory murine myeloma cells with murine spleen cells from Balb/c mice immunized with pooled SAAL and AA respectively. Four distinctly migrating SAAL isomers with PI's of 4.9, 5.8, 6.6, and 7.2 were isolated from 6 pts. while only three isomers were separated from the pt. with myasthenia gravis. Four m. abs. to SAAL, one to AA, six m. abs. to SAAL-2 is. and one to SAAL-1 is. were generated in murine ascitic fluid. Dishes coated with the four human SAA is., human AA, various mammalian and human proteins as well as with serum from 31 pts. with metastatic Ca. and 23 pts. with inflammatory diseases (ID) were reacted with the m. abs. The amount of binding was determined using 125 I labelled goat antimouse serum. The m. abs. to SAA were found specific for human SAA recognizing two different patterns in relationship to the intensity of binding to SAA is. One of them (7A2-43) had a greater affinity for SAA from pts with ID, while the other (5A6-5) reacted stronger with SAA from pts with metastatic Ca

  1. Cortical Thickness, Surface Area and Subcortical Volume Differentially Contribute to Cognitive Heterogeneity in Parkinson's Disease

    NARCIS (Netherlands)

    Gerrits, Niels J H M; van Loenhoud, Anita C; van den Berg, Stan F; Berendse, Henk W; Foncke, Elisabeth M J; Klein, Martin; Stoffers, Diederick; van der Werf, Ysbrand D; van den Heuvel, Odile A

    2016-01-01

    Parkinson's disease (PD) is often associated with cognitive deficits, although their severity varies considerably between patients. Recently, we used voxel-based morphometry (VBM) to show that individual differences in gray matter (GM) volume relate to cognitive heterogeneity in PD. VBM does,

  2. Physical and chemical characterization of surfaces of nitrogen implanted steels

    International Nuclear Information System (INIS)

    Moncoffre, N.

    1986-01-01

    The studied steels are of industrial type (42CD4, 100C6, Z200C13). Very often, the low carbon steel XCO6 has been used as a reference material. The aim of the research is to understand and to explain the mechanisms of wear resistance to improvement. A good characterization of the implanted layer is thus necessary. It implies to establish the distribution profiles of the implanted ions to identify the chemical and structural state of the phases created during implantation as a function of various implantation parameters (dose, temperature). Temperature is the particularly parameter. Its influence is put in evidence both during implantation and during annealings under vacuum. Nitrogen distribution profiles are performed thanks to the non destructive 15 N(p,αγ) 12 C nuclear reaction. The chemical state of the Fe-N phases formed by implantation is determined using first Electron Conversion Moessbauer Spectroscopy and secondly, as a complement, using grazing angle X ray diffraction. The detected compounds are ε-nitrides, ε-carbonitrides, (N) - martensite and α-Fe 16 N 2 whose evolution is carefully followed versus temperature. The diffraction technique reveals a texture of the implanted layer. This preferentiel orientation is found to be temperature dependent but dose independent. The carbon presence at the surface is studied as a function of implantation conditions (vacuum, temperature, dose). Carbon profiling is obtained using α backscattering ( 12 C(α,α') reaction at 5,7 MeV). Thus is achieved a complete characterization of the implanted zone whose evolution as a function of implantation parameters (especially temperature) is correlated with tribological results [fr

  3. Chemical, mechanical and biological properties of contemporary composite surface sealers.

    Science.gov (United States)

    Anagnostou, Maria; Mountouris, George; Silikas, Nick; Kletsas, Dimitris; Eliades, George

    2015-12-01

    To evaluate the chemical, mechanical, and biological properties of modern composite surface sealers (CSS) having different compositions. The CSS products tested were Biscover LV (BC), Durafinish (DF), G-Coat Plus (GC), and Permaseal (PS). The tests performed were: (A): degree of conversion (DC%) by ATR-FTIR spectroscopy; (B): thickness of O2-inhibition layer by transmission optical microscopy; (C): surface hardness, 10 min after irradiation and following 1 week water storage, employing a Vickers indenter (VHN); (D): color (ΔE*) and gloss changes (ΔGU) after toothbrush abrasion, using L*a*b* colorimetry and glossimetry; (E): accelerated wear (GC,PS only) by an OHSU wear simulator plus 3D profilometric analysis, and (F): cytotoxicity testing of aqueous CSS eluents on human gingival fibroblast cultures employing the methyl-(3)H thymidine DNA labeling method. Statistical analyses included 1-way (A, B, ΔE*, ΔGU) and 2-way (C, F) ANOVAs, plus Tukey post hoc tests. Student's t-test was used to evaluate the results of the accelerated wear test (α=0.05 for all). The rankings of the statistical significant differences were: (A) PS (64.9)>DF,BC,GC (56.1-53.9) DC%; (B) DF,PS (12.3,9.8)>GC,BC (5.2,4.8) μm; (C): GC (37.6)>BC,DF (32.6,31.1)>PS (26.6) VHN (10 min/dry) and BC,DF (29.3,28.7)>GC(26.5)>PS(21.6) VHN (1w/water), with no significant material/storage condition interaction; (D): no differences were found among GC,DF,BC,PS (0.67-1.11) ΔE*, with all values within the visually acceptable range and PS,BC (32.8,29.4)>GC,DF (19.4,12.9) ΔGU; (E): no differences were found between GC and PS in volume loss (0.10,0.11 mm(3)), maximum (113.9,130.5 μm) and mean wear depths (30.3,27.5 μm); (F): at 1% v/v concentration, DF showed toxicity (23% vital cells vs 95-102% for others). However, at 5% v/v concentration DF (0%) and BC (9%) were the most toxic, whereas GC (58%) and PS (56%) showed moderate toxicity. Important chemical, mechanical, and biological properties exist among

  4. Land surface temperature representativeness in a heterogeneous area through a distributed energy-water balance model and remote sensing data

    Directory of Open Access Journals (Sweden)

    C. Corbari

    2010-10-01

    Full Text Available Land surface temperature is the link between soil-vegetation-atmosphere fluxes and soil water content through the energy water balance. This paper analyses the representativeness of land surface temperature (LST for a distributed hydrological water balance model (FEST-EWB using LST from AHS (airborne hyperspectral scanner, with a spatial resolution between 2–4 m, LST from MODIS, with a spatial resolution of 1000 m, and thermal infrared radiometric ground measurements that are compared with the representative equilibrium temperature that closes the energy balance equation in the distributed hydrological model.

    Diurnal and nocturnal images are analyzed due to the non stable behaviour of the thermodynamic temperature and to the non linear effects induced by spatial heterogeneity.

    Spatial autocorrelation and scale of fluctuation of land surface temperature from FEST-EWB and AHS are analysed at different aggregation areas to better understand the scale of representativeness of land surface temperature in a hydrological process.

    The study site is the agricultural area of Barrax (Spain that is a heterogeneous area with a patchwork of irrigated and non irrigated vegetated fields and bare soil. The used data set was collected during a field campaign from 10 to 15 July 2005 in the framework of the SEN2FLEX project.

  5. Spontaneous grafting of diazonium salts: chemical mechanism on metallic surfaces.

    Science.gov (United States)

    Mesnage, Alice; Lefèvre, Xavier; Jégou, Pascale; Deniau, Guy; Palacin, Serge

    2012-08-14

    The spontaneous reaction of diazonium salts on various substrates has been widely employed since it consists of a simple immersion of the substrate in the diazonium salt solution. As electrochemical processes involving the same diazonium salts, the spontaneous grafting is assumed to give covalently poly(phenylene)-like bonded films. Resistance to solvents and to ultrasonication is commonly accepted as indirect proof of the existence of a covalent bond. However, the most relevant attempts to demonstrate a metal-C interface bond have been obtained by an XPS investigation of spontaneously grafted films on copper. Similarly, our experiments give evidence of such a bond in spontaneously grafted films on nickel substrates in acetonitrile. In the case of gold substrates, the formation of a spontaneous film was unexpected but reported in the literature in parallel to our observations. Even if no interfacial bond was observed, formation of the films was explained by grafting of aryl cations or radicals on the surface arising from dediazoniation, the film growing later by azo coupling, radical addition, or cationic addition on the grafted phenyl layer. Nevertheless, none of these mechanisms fits our experimental results showing the presence of an Au-N bond. In this work, we present a fine spectroscopic analysis of the coatings obtained on gold and nickel substrates that allow us to propose a chemical structure of such films, in particular, their interface with the substrates. After testing the most probable mechanisms, we have concluded in favor of the involvement of two complementary mechanisms which are the direct reaction of diazonium salts with the gold surface that accounts for the observed Au-N interfacial bonds as well as the formation of aryl cations able to graft on the substrate through Au-C linkages.

  6. Cell surface profiling using high-throughput flow cytometry: a platform for biomarker discovery and analysis of cellular heterogeneity.

    Directory of Open Access Journals (Sweden)

    Craig A Gedye

    Full Text Available Cell surface proteins have a wide range of biological functions, and are often used as lineage-specific markers. Antibodies that recognize cell surface antigens are widely used as research tools, diagnostic markers, and even therapeutic agents. The ability to obtain broad cell surface protein profiles would thus be of great value in a wide range of fields. There are however currently few available methods for high-throughput analysis of large numbers of cell surface proteins. We describe here a high-throughput flow cytometry (HT-FC platform for rapid analysis of 363 cell surface antigens. Here we demonstrate that HT-FC provides reproducible results, and use the platform to identify cell surface antigens that are influenced by common cell preparation methods. We show that multiple populations within complex samples such as primary tumors can be simultaneously analyzed by co-staining of cells with lineage-specific antibodies, allowing unprecedented depth of analysis of heterogeneous cell populations. Furthermore, standard informatics methods can be used to visualize, cluster and downsample HT-FC data to reveal novel signatures and biomarkers. We show that the cell surface profile provides sufficient molecular information to classify samples from different cancers and tissue types into biologically relevant clusters using unsupervised hierarchical clustering. Finally, we describe the identification of a candidate lineage marker and its subsequent validation. In summary, HT-FC combines the advantages of a high-throughput screen with a detection method that is sensitive, quantitative, highly reproducible, and allows in-depth analysis of heterogeneous samples. The use of commercially available antibodies means that high quality reagents are immediately available for follow-up studies. HT-FC has a wide range of applications, including biomarker discovery, molecular classification of cancers, or identification of novel lineage specific or stem cell

  7. Cell surface profiling using high-throughput flow cytometry: a platform for biomarker discovery and analysis of cellular heterogeneity.

    Science.gov (United States)

    Gedye, Craig A; Hussain, Ali; Paterson, Joshua; Smrke, Alannah; Saini, Harleen; Sirskyj, Danylo; Pereira, Keira; Lobo, Nazleen; Stewart, Jocelyn; Go, Christopher; Ho, Jenny; Medrano, Mauricio; Hyatt, Elzbieta; Yuan, Julie; Lauriault, Stevan; Meyer, Mona; Kondratyev, Maria; van den Beucken, Twan; Jewett, Michael; Dirks, Peter; Guidos, Cynthia J; Danska, Jayne; Wang, Jean; Wouters, Bradly; Neel, Benjamin; Rottapel, Robert; Ailles, Laurie E

    2014-01-01

    Cell surface proteins have a wide range of biological functions, and are often used as lineage-specific markers. Antibodies that recognize cell surface antigens are widely used as research tools, diagnostic markers, and even therapeutic agents. The ability to obtain broad cell surface protein profiles would thus be of great value in a wide range of fields. There are however currently few available methods for high-throughput analysis of large numbers of cell surface proteins. We describe here a high-throughput flow cytometry (HT-FC) platform for rapid analysis of 363 cell surface antigens. Here we demonstrate that HT-FC provides reproducible results, and use the platform to identify cell surface antigens that are influenced by common cell preparation methods. We show that multiple populations within complex samples such as primary tumors can be simultaneously analyzed by co-staining of cells with lineage-specific antibodies, allowing unprecedented depth of analysis of heterogeneous cell populations. Furthermore, standard informatics methods can be used to visualize, cluster and downsample HT-FC data to reveal novel signatures and biomarkers. We show that the cell surface profile provides sufficient molecular information to classify samples from different cancers and tissue types into biologically relevant clusters using unsupervised hierarchical clustering. Finally, we describe the identification of a candidate lineage marker and its subsequent validation. In summary, HT-FC combines the advantages of a high-throughput screen with a detection method that is sensitive, quantitative, highly reproducible, and allows in-depth analysis of heterogeneous samples. The use of commercially available antibodies means that high quality reagents are immediately available for follow-up studies. HT-FC has a wide range of applications, including biomarker discovery, molecular classification of cancers, or identification of novel lineage specific or stem cell markers.

  8. Chemical surface alteration of biodegradable magnesium exposed to corrosion media.

    Science.gov (United States)

    Willumeit, Regine; Fischer, Janine; Feyerabend, Frank; Hort, Norbert; Bismayer, Ulrich; Heidrich, Stefanie; Mihailova, Boriana

    2011-06-01

    The understanding of corrosion processes of metal implants in the human body is a key problem in modern biomaterial science. Because of the complicated and adjustable in vivo environment, in vitro experiments require the analysis of various physiological corrosion media to elucidate the underlying mechanism of "biological" metal surface modification. In this paper magnesium samples were incubated under cell culture conditions (i.e. including CO(2)) in electrolyte solutions and cell growth media, with and without proteins. Chemical mapping by high-resolution electron-induced X-ray emission spectroscopy and infrared reflection microspectroscopy revealed a complex structure of the formed corrosion layer. The presence of CO(2) in concentrations close to that in blood is significant for the chemistry of the oxidised layer. The presence of proteins leads to a less dense but thicker passivation layer which is still ion and water permeable, as osmolality and weight measurements indicate. Copyright © 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  9. Bioactive carbon-PEEK composites prepared by chemical surface treatment.

    Science.gov (United States)

    Miyazaki, Toshiki; Matsunami, Chisato; Shirosaki, Yuki

    2017-01-01

    Polyetheretherketone (PEEK) has attracted much attention as an artificial intervertebral spacer for spinal reconstruction. Furthermore, PEEK plastic reinforced with carbon fiber has twice the bending strength of pure PEEK. However, the PEEK-based materials do not show ability for direct bone bonding, i.e., bioactivity. Although several trials have been conducted for enabling PEEK with bioactivity, few studies have reported on bioactive surface modification of carbon-PEEK composites. In the present study, we attempted the preparation of bioactive carbon-PEEK composites by chemical treatments with H 2 SO 4 and CaCl 2 . Bioactivity was evaluated by in vitro apatite formation in simulated body fluid (SBF). The apatite formation on the carbon-PEEK composite was compared with that of pure PEEK. Both pure PEEK and carbon-PEEK composite formed the apatite in SBF when they were treated with H 2 SO 4 and CaCl 2 ; the latter showed higher apatite-forming ability than the former. It is conjectured that many functional groups able to induce the apatite nucleation, such as sulfo and carboxyl groups, are incorporated into the dispersed carbon phase in the carbon-PEEK composites. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Assessing chemical exposure and ecological impacts of environmental surface waters using cell culture-based metabolomic

    Science.gov (United States)

    Waste water treatment plants (WWTPs), as well as industrial and agricultural operations release complex mixtures of anthropogenic chemicals that negatively affect surface water quality. Previous studies have shown that exposure to such complex chemical mixtures can produce adver...

  11. Development of international standards for surface analysis by ISO technical committee 201 on surface chemical analysis

    International Nuclear Information System (INIS)

    Powell, C.J.

    1999-01-01

    Full text: The International Organization for Standardization (ISO) established Technical Committee 201 on Surface Chemical Analysis in 1991 to develop documentary standards for surface analysis. ISO/TC 201 met first in 1992 and has met annually since. This committee now has eight subcommittees (Terminology, General Procedures, Data Management and Treatment, Depth Profiling, AES, SIMS, XPS, and Glow Discharge Spectroscopy (GDS)) and one working group (Total X-Ray Fluorescence Spectroscopy). Each subcommittee has one or more working groups to develop standards on particular topics. Australia has observer-member status on ISO/TC 201 and on all ISO/TC 201 subcommittees except GDS where it has participator-member status. I will outline the organization of ISO/TC 201 and summarize the standards that have been or are being developed. Copyright (1999) Australian X-ray Analytical Association Inc

  12. Single-molecule resolution of protein dynamics on polymeric membrane surfaces: the roles of spatial and population heterogeneity.

    Science.gov (United States)

    Langdon, Blake B; Mirhossaini, Roya B; Mabry, Joshua N; Sriram, Indira; Lajmi, Ajay; Zhang, Yanxia; Rojas, Orlando J; Schwartz, Daniel K

    2015-02-18

    Although polymeric membranes are widely used in the purification of protein pharmaceuticals, interactions between biomolecules and membrane surfaces can lead to reduced membrane performance and damage to the product. In this study, single-molecule fluorescence microscopy provided direct observation of bovine serum albumin (BSA) and human monoclonal antibody (IgG) dynamics at the interface between aqueous buffer and polymeric membrane materials including regenerated cellulose and unmodified poly(ether sulfone) (PES) blended with either polyvinylpyrrolidone (PVP), polyvinyl acetate-co-polyvinylpyrrolidone (PVAc-PVP), or polyethylene glycol methacrylate (PEGM) before casting. These polymer surfaces were compared with model surfaces composed of hydrophilic bare fused silica and hydrophobic trimethylsilane-coated fused silica. At extremely dilute protein concentrations (10(-3)-10(-7) mg/mL), protein surface exchange was highly dynamic with protein monomers desorbing from the surface within ∼1 s after adsorption. Protein oligomers (e.g., nonspecific dimers, trimers, or larger aggregates), although less common, remained on the surface for 5 times longer than monomers. Using newly developed super-resolution methods, we could localize adsorption sites with ∼50 nm resolution and quantify the spatial heterogeneity of the various surfaces. On a small anomalous subset of the adsorption sites, proteins adsorbed preferentially and tended to reside for significantly longer times (i.e., on "strong" sites). Proteins resided for shorter times overall on surfaces that were more homogeneous and exhibited fewer strong sites (e.g., PVAc-PVP/PES). We propose that strong surface sites may nucleate protein aggregation, initiated preferentially by protein oligomers, and accelerate ultrafiltration membrane fouling. At high protein concentrations (0.3-1.0 mg/mL), fewer strong adsorption sites were observed, and surface residence times were reduced. This suggests that at high concentrations

  13. Final technical report: The effect of physical and chemical heterogeneities in a porous medium on the transport of bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Hornberger, George M.; Mills, Aaron L.; Herman, Janet S.

    2001-04-01

    Among the demonstrated processes influencing the transport of bacteria through aquifers, the deposition of cells on mineral surfaces is one of the most important. Heterogeneous distribution of aquifer properties such as mineral-grain oxide coatings and preferred flow paths can control the numbers of microbes arriving a point down gradient from their injection, and these properties can also affect the distribution of the organisms remaining in the sedimentary matrix. The distribution of metal oxide coatings affects the final location of retained cells within the matrix but had no effect on total breakthrough of applied bacteria. We were able to demonstrate transverse mixing of both conservative tracers and bacteria between regions of differing hydraulic conductivity; the conservative tracer could be used to model the transverse mixing of the bacteria. We were able to show that the presence of metal oxide coatings on aquifer surfaces retarded a reactive tracer (SO{sub 4}{sup 2-}) that simulated bacterial retardation in the laboratory. When metal oxide coatings were absent (due to bacterial establishment of a reducing environment) the tracer and bacteria were not retarded. The effect was reproduced in a tracer experiment done in the field. The results suggest that bacterial transport in the subsurface is controlled by a number of interrelated and confounding factors that prevent accurate prediction of transport given the present state of knowledge.

  14. Sea spray aerosol chemical composition: elemental and molecular mimics for laboratory studies of heterogeneous and multiphase reactions.

    Science.gov (United States)

    Bertram, Timothy H; Cochran, Richard E; Grassian, Vicki H; Stone, Elizabeth A

    2018-04-03

    Sea spray aerosol particles (SSA), formed through wave breaking at the ocean surface, contribute to natural aerosol particle concentrations in remote regions of Earth's atmosphere, and alter the direct and indirect effects of aerosol particles on Earth's radiation budget. In addition, sea spray aerosol serves as suspended surface area that can catalyze trace gas reactions. It has been shown repeatedly that sea spray aerosol is heavily enriched in organic material compared to the surface ocean. The selective enrichment of organic material complicates the selection of representative molecular mimics of SSA for laboratory or computational studies. In this review, we first provide a short introduction to SSA formation processes and discuss chemical transformations of SSA that occur in polluted coastal regions and remote pristine air. We then focus on existing literature of the chemical composition of nascent SSA generated in controlled laboratory experiments and field investigations. We combine the evidence on the chemical properties of nascent SSA with literature measurements of SSA water uptake to assess SSA molecular composition and liquid water content. Efforts to speciate SSA organic material into molecular classes and specific molecules have led to the identification of saccharides, alkanes, free fatty acids, anionic surfactants, dicarboxylic acids, amino acids, proteinaceous matter, and other large macromolecules. However to date, less than 25% of the organic mass of nascent SSA has been quantified at a molecular level. As discussed here, quantitative measurements of size resolved elemental ratios, combined with determinations of water uptake properties, provides unique insight on the concentration of ions within SSA as a function of particle size, pointing to a controlling role for relative humidity and the hygroscopicity of SSA organic material at small particle diameters.

  15. On the segregation of chemical species in a clear boundary layer over heterogeneous land surfaces

    NARCIS (Netherlands)

    Ouwersloot, H.G.; Vilà-Guerau de Arellano, J.; Heerwaarden, van C.C.; Ganzeveld, L.N.; Krol, M.C.; Lelieveld, J.

    2011-01-01

    Using a Large-Eddy Simulation model, we have systematically studied the inability of boundary layer turbulence to efficiently mix reactive species. This creates regions where the species are accumulated in a correlated or anti-correlated way, thereby modifying the mean reactivity. We quantify this

  16. Heterogeneous nucleation on convex spherical substrate surfaces: A rigorous thermodynamic formulation of Fletcher's classical model and the new perspectives derived.

    Science.gov (United States)

    Qian, Ma; Ma, Jie

    2009-06-07

    Fletcher's spherical substrate model [J. Chem. Phys. 29, 572 (1958)] is a basic model for understanding the heterogeneous nucleation phenomena in nature. However, a rigorous thermodynamic formulation of the model has been missing due to the significant complexities involved. This has not only left the classical model deficient but also likely obscured its other important features, which would otherwise have helped to better understand and control heterogeneous nucleation on spherical substrates. This work presents a rigorous thermodynamic formulation of Fletcher's model using a novel analytical approach and discusses the new perspectives derived. In particular, it is shown that the use of an intermediate variable, a selected geometrical angle or pseudocontact angle between the embryo and spherical substrate, revealed extraordinary similarities between the first derivatives of the free energy change with respect to embryo radius for nucleation on spherical and flat substrates. Enlightened by the discovery, it was found that there exists a local maximum in the difference between the equivalent contact angles for nucleation on spherical and flat substrates due to the existence of a local maximum in the difference between the shape factors for nucleation on spherical and flat substrate surfaces. This helps to understand the complexity of the heterogeneous nucleation phenomena in a practical system. Also, it was found that the unfavorable size effect occurs primarily when R<5r( *) (R: radius of substrate and r( *): critical embryo radius) and diminishes rapidly with increasing value of R/r( *) beyond R/r( *)=5. This finding provides a baseline for controlling the size effects in heterogeneous nucleation.

  17. Liquid-solid interface project in nuclear engineering. Systematization of sorption theory in heterogeneous surface and it's application to radioactive waste disposal. JAERI's nuclear research promotion program, H10-032. Contract research

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Satoru [Tokyo Univ., Graduate School of Engineering, Tokyo (Japan)

    2002-03-01

    Combining of the In-Situ and Ex-situ experiments with quantum chemical calculation, we can draw the following conclusions on the sorption at heterogeneous interfaces, based on the structure of solid surfaces and the profile of charge/electron at surface: (1) Redox sensitive species Np(V) is reduced to Np(IV) by Fe(II) contained in iron oxides. (2) Interactions of ions with C-S-H gels, which is a main component of cementitious materials, consist of replacement of Ca, association with Si and ion exchange. (3) Iodate ions adsorb on the two kinds of sorption sites located on the outer surface of hydrotalcite. (4) Interaction potential between particles and solid surfaces decrease due to the microscopic roughness of solid surface and localized distribution of charge on the surface, leading to the increase in the deposition of particles. (5) Some information on the association situation of water molecules on the metal oxides are obtained. These results suggests that the microscopic heterogeneity of solid surfaces facilities the interaction of ions and particles with solid surfaces. These phenomena can not be explained by the conventional sorption theory. We have to develop the sorption theory by considering the interactions from the microscopic point of view. (author)

  18. Liquid-solid interface project in nuclear engineering. Systematization of sorption theory in heterogeneous surface and it's application to radioactive waste disposal. JAERI's nuclear research promotion program, H10-032. Contract research

    International Nuclear Information System (INIS)

    Tanaka, Satoru

    2002-03-01

    Combining of the In-Situ and Ex-situ experiments with quantum chemical calculation, we can draw the following conclusions on the sorption at heterogeneous interfaces, based on the structure of solid surfaces and the profile of charge/electron at surface: (1) Redox sensitive species Np(V) is reduced to Np(IV) by Fe(II) contained in iron oxides. (2) Interactions of ions with C-S-H gels, which is a main component of cementitious materials, consist of replacement of Ca, association with Si and ion exchange. (3) Iodate ions adsorb on the two kinds of sorption sites located on the outer surface of hydrotalcite. (4) Interaction potential between particles and solid surfaces decrease due to the microscopic roughness of solid surface and localized distribution of charge on the surface, leading to the increase in the deposition of particles. (5) Some information on the association situation of water molecules on the metal oxides are obtained. These results suggests that the microscopic heterogeneity of solid surfaces facilities the interaction of ions and particles with solid surfaces. These phenomena can not be explained by the conventional sorption theory. We have to develop the sorption theory by considering the interactions from the microscopic point of view. (author)

  19. The Migration and Entrapment of DNAPLs in Physically and Chemically Heterogeneous Porous Media - Final Report - 09/15/1996 - 09/15/2000; FINAL

    International Nuclear Information System (INIS)

    Abriola, L. M.; Demond, A. H.

    2000-01-01

    Hazardous dense nonaqueous phase liquids (DNAPLs), such as chlorinated solvents, are slightly water soluble and pose a serious threat to soil and groundwater supplies in many portions of the United States. The migration and entrapment of DNAPLs in the subsurface environment is typically believed to be controlled by physical heterogeneities; i.e, layers and lenses of contrasting soil texture. The rationale for this assumption is that capillarity, as determined by the soil texture, is the dominant transport mechanism. Capillarity also depends on interfacial tension and medium wettability. Interfacial tension and medium wettability may be spatially and temporally dependent due to variations in aqueous phase chemistry, contaminant aging, and/or variations in mineralogy and organic matter distributions. Such chemical heterogeneities have largely been ignored to date, even though they are known to have dramatic effects on the hydraulic property relations. Numerical multiphase flow and transport models typically assume that solids are water-wet and that interfacial tension is constant. The primary objective of this research is to investigate the influence of coupled physical and chemical heterogeneities on the migration and entrapment of DNAPLs. This objective will be accomplished through a combination of laboratory and numerical experiments. Laboratory experiments will be conducted to examine: (i) aqueous phase chemistry effects on medium wettability and interfacial tension; and (ii) relative permeability-saturation-capillary pressure relations for chemically heterogeneous systems. An important objective of this research is to modify a two-dimensional multiphase flow and transport model to account for chemically and physically heterogeneous systems. This numerical simulator will be used in conjunction with independently measured parameters to simulate two-dimensional DNAPL infiltration experiments. Comparisons of simulated and laboratory data will provide a means to

  20. Correlation of Effective Dispersive and Polar Surface Energies in Heterogeneous Self-Assembled Monolayer Coatings

    DEFF Research Database (Denmark)

    Zhuang, Yanxin; Hansen, Ole

    2009-01-01

    grown oil oxidized (100) silicon Surfaces in a vapor phase process using five different precursors. Experimentally, effective surface energy components of the fluorocarbon self-assembled monolayers were determined from measured contact angles using the Owens-Wendt-Rabel-Kaelble method. We show...

  1. Heterogeneity of soil surface ammonium concentration and other characteristics, related to plant specific variability in a Mediterranean-type ecosystem

    International Nuclear Information System (INIS)

    Cruz, Cristina; Bio, Ana M.F.; Jullioti, Aldo; Tavares, Alice; Dias, Teresa; Martins-Loucao, Maria Amelia

    2008-01-01

    Heterogeneity and dynamics of eight soil surface characteristics essential for plants-ammonium and nitrate concentrations, water content, temperature, pH, organic matter, nitrification and ammonification rates-were studied in a Mediterranean-type ecosystem on four occasions over a year. Soil properties varied seasonally and were influenced by plant species. Nitrate and ammonium were present in the soil at similar concentrations throughout the year. The positive correlation between them at the time of greatest plant development indicates that ammonium is a readily available nitrogen source in Mediterranean-type ecosystems. The results presented here suggest that plant cover significantly affects soil surface characteristics. - In Mediterranean-type ecosystems ammonium is present in the soil throughout the year and its concentration is dependent on plant cover

  2. The localization of focal heart activity via body surface potential measurements: tests in a heterogeneous torso phantom

    International Nuclear Information System (INIS)

    Wetterling, F; Liehr, M; Haueisen, J; Schimpf, P; Liu, H

    2009-01-01

    The non-invasive localization of focal heart activity via body surface potential measurements (BSPM) could greatly benefit the understanding and treatment of arrhythmic heart diseases. However, the in vivo validation of source localization algorithms is rather difficult with currently available measurement techniques. In this study, we used a physical torso phantom composed of different conductive compartments and seven dipoles, which were placed in the anatomical position of the human heart in order to assess the performance of the Recursively Applied and Projected Multiple Signal Classification (RAP-MUSIC) algorithm. Electric potentials were measured on the torso surface for single dipoles with and without further uncorrelated or correlated dipole activity. The localization error averaged 11 ± 5 mm over 22 dipoles, which shows the ability of RAP-MUSIC to distinguish an uncorrelated dipole from surrounding sources activity. For the first time, real computational modelling errors could be included within the validation procedure due to the physically modelled heterogeneities. In conclusion, the introduced heterogeneous torso phantom can be used to validate state-of-the-art algorithms under nearly realistic measurement conditions.

  3. The localization of focal heart activity via body surface potential measurements: tests in a heterogeneous torso phantom

    Science.gov (United States)

    Wetterling, F.; Liehr, M.; Schimpf, P.; Liu, H.; Haueisen, J.

    2009-09-01

    The non-invasive localization of focal heart activity via body surface potential measurements (BSPM) could greatly benefit the understanding and treatment of arrhythmic heart diseases. However, the in vivo validation of source localization algorithms is rather difficult with currently available measurement techniques. In this study, we used a physical torso phantom composed of different conductive compartments and seven dipoles, which were placed in the anatomical position of the human heart in order to assess the performance of the Recursively Applied and Projected Multiple Signal Classification (RAP-MUSIC) algorithm. Electric potentials were measured on the torso surface for single dipoles with and without further uncorrelated or correlated dipole activity. The localization error averaged 11 ± 5 mm over 22 dipoles, which shows the ability of RAP-MUSIC to distinguish an uncorrelated dipole from surrounding sources activity. For the first time, real computational modelling errors could be included within the validation procedure due to the physically modelled heterogeneities. In conclusion, the introduced heterogeneous torso phantom can be used to validate state-of-the-art algorithms under nearly realistic measurement conditions.

  4. Direct surface analysis coupled to high-resolution mass spectrometry reveals heterogeneous composition of the cuticle of Hibiscus trionum petals.

    Science.gov (United States)

    Giorio, Chiara; Moyroud, Edwige; Glover, Beverley J; Skelton, Paul C; Kalberer, Markus

    2015-10-06

    Plant cuticle, which is the outermost layer covering the aerial parts of all plants including petals and leaves, can present a wide range of patterns that, combined with cell shape, can generate unique physical, mechanical, or optical properties. For example, arrays of regularly spaced nanoridges have been found on the dark (anthocyanin-rich) portion at the base of the petals of Hibiscus trionum. Those ridges act as a diffraction grating, producing an iridescent effect. Because the surface of the distal white region of the petals is smooth and noniridescent, a selective chemical characterization of the surface of the petals on different portions (i.e., ridged vs smooth) is needed to understand whether distinct cuticular patterns correlate with distinct chemical compositions of the cuticle. In the present study, a rapid screening method has been developed for the direct surface analysis of Hibiscus trionum petals using liquid extraction surface analysis (LESA) coupled with high-resolution mass spectrometry. The optimized method was used to characterize a wide range of plant metabolites and cuticle monomers on the upper (adaxial) surface of the petals on both the white/smooth and anthocyanic/ridged regions, and on the lower (abaxial) surface, which is entirely smooth. The main components detected on the surface of the petals are low-molecular-weight organic acids, sugars, and flavonoids. The ridged portion on the upper surface of the petal is enriched in long-chain fatty acids, which are constituents of the wax fraction of the cuticle. These compounds were not detected on the white/smooth region of the upper petal surface or on the smooth lower surface.

  5. Heterogeneous Wireless Mesh Network Technology Evaluation for Space Proximity and Surface Applications

    Science.gov (United States)

    DeCristofaro, Michael A.; Lansdowne, Chatwin A.; Schlesinger, Adam M.

    2014-01-01

    NASA has identified standardized wireless mesh networking as a key technology for future human and robotic space exploration. Wireless mesh networks enable rapid deployment, provide coverage in undeveloped regions. Mesh networks are also self-healing, resilient, and extensible, qualities not found in traditional infrastructure-based networks. Mesh networks can offer lower size, weight, and power (SWaP) than overlapped infrastructure-perapplication. To better understand the maturity, characteristics and capability of the technology, we developed an 802.11 mesh network consisting of a combination of heterogeneous commercial off-the-shelf devices and opensource firmware and software packages. Various streaming applications were operated over the mesh network, including voice and video, and performance measurements were made under different operating scenarios. During the testing several issues with the currently implemented mesh network technology were identified and outlined for future work.

  6. chemical and microbiological assessment of surface water samples

    African Journals Online (AJOL)

    PROF EKWUEME

    concentrations and bacteriological content. Evaluation of the results ... and Aninri local government areas of Enugu state. Surface water ... surface water bodies are prone to impacts from ... Coal Measures (Akamigbo, 1987). The geologic map ...

  7. Spectroscopy under the Surface. In-Situ ATR-IR Studies of Heterogeneous Catalysis in Water.

    NARCIS (Netherlands)

    Ebbesen, S.D.

    2007-01-01

    The chemical industry is always searching for more cost- and performance-efficient processes and the trend is therefore to use water as a solvent. The selection of water as a solvent offers many benefits; beside low cost, the advantages are the fact that it is environmentally benign, its

  8. Effects of aluminium surface morphology and chemical modification on wettability

    DEFF Research Database (Denmark)

    Rahimi, Maral; Fojan, Peter; Gurevich, Leonid

    2014-01-01

    -life aluminium surfaces of different morphology: unpolished aluminium, polished aluminium, and aluminium foil, were subjected to surface modification procedures which involved the formation of a layer of hydrophilic hyperbranched polyethyleneglycol via in situ polymerization, molecular vapour deposition...... of a monolayer of fluorinated silane, and a combination of those. The effect of these surface modification techniques on roughness and wettability of the aluminium surfaces was elucidated by ellipsometry, contact angle measurements and atomic force microscopy. We demonstrated that by employing different types...

  9. Device and method for enhanced collection and assay of chemicals with high surface area ceramic

    Science.gov (United States)

    Addleman, Raymond S.; Li, Xiaohong Shari; Chouyyok, Wilaiwan; Cinson, Anthony D.; Bays, John T.; Wallace, Krys

    2016-02-16

    A method and device for enhanced capture of target analytes is disclosed. This invention relates to collection of chemicals for separations and analysis. More specifically, this invention relates to a solid phase microextraction (SPME) device having better capability for chemical collection and analysis. This includes better physical stability, capacity for chemical collection, flexible surface chemistry and high affinity for target analyte.

  10. Surface charging, discharging and chemical modification at a sliding contact

    DEFF Research Database (Denmark)

    Singh, Shailendra Vikram; Kusano, Yukihiro; Morgen, Per

    2012-01-01

    Electrostatic charging, discharging, and consequent surface modification induced by sliding dissimilar surfaces have been studied. The surface-charge related phenomena were monitored by using a home-built capacitive, non-contact electrical probe, and the surface chemistry was studied by X...... are also able to comment on the behavior and the charge decay time in the ambient air-like condition, once the sliding contact is discontinued. XPS analysis showed a marginal deoxidation effect on the polyester disks due to the charging and discharging of the surfaces. Moreover, these XPS results clearly...

  11. Physico-chemical characteristics of surface and groundwater in ...

    African Journals Online (AJOL)

    musa kizito ojochenemi

    drinking water recommended by the World Health Organisation except for iron which had elevated ... Key words: Obajana, water resources, physico - chemical, cation, anion and pollution. ..... Exposition (AUGA EXPO'83) Acapulco, Mexico.

  12. Chemical treatment of zinc surface and its corrosion inhibition studies

    Indian Academy of Sciences (India)

    WINTEC

    Department of PG Studies and Research in Chemistry, School of Chemical Sciences, Kuvempu University, ... cations and is mainly used for the corrosion protection of ... provide a greater resistance to corrosion, but when exposed to humid ...

  13. Chemical and Molecular Characterization of Biofilm on Metal Surfaces

    Digital Repository Service at National Institute of Oceanography (India)

    Bhosle, N.B.

    analytical instrumental techniques to assess the kinetics and chemical composition of the conditioning film developed on stainless steel panels deployed in seawater. These studies suggest that proteins are the first compounds to adsorb onto stainless steel...., 1990; Bott 1993; 159 stainless steel by the Time of flight secondary ion mass spectrometer (ToF-SIMS) (Poleunis et al., 2002, 2003). Further the nature of the substratum influences the chemical composition and quality of adsorbed organic matter...

  14. A coupled remote sensing and the Surface Energy Balance with Topography Algorithm (SEBTA to estimate actual evapotranspiration over heterogeneous terrain

    Directory of Open Access Journals (Sweden)

    Z. Q. Gao

    2011-01-01

    Full Text Available Evapotranspiration (ET may be used as an ecological indicator to address the ecosystem complexity. The accurate measurement of ET is of great significance for studying environmental sustainability, global climate changes, and biodiversity. Remote sensing technologies are capable of monitoring both energy and water fluxes on the surface of the Earth. With this advancement, existing models, such as SEBAL, S_SEBI and SEBS, enable us to estimate the regional ET with limited temporal and spatial coverage in the study areas. This paper extends the existing modeling efforts with the inclusion of new components for ET estimation at different temporal and spatial scales under heterogeneous terrain with varying elevations, slopes and aspects. Following a coupled remote sensing and surface energy balance approach, this study emphasizes the structure and function of the Surface Energy Balance with Topography Algorithm (SEBTA. With the aid of the elevation and landscape information, such as slope and aspect parameters derived from the digital elevation model (DEM, and the vegetation cover derived from satellite images, the SEBTA can account for the dynamic impacts of heterogeneous terrain and changing land cover with some varying kinetic parameters (i.e., roughness and zero-plane displacement. Besides, the dry and wet pixels can be recognized automatically and dynamically in image processing thereby making the SEBTA more sensitive to derive the sensible heat flux for ET estimation. To prove the application potential, the SEBTA was carried out to present the robust estimates of 24 h solar radiation over time, which leads to the smooth simulation of the ET over seasons in northern China where the regional climate and vegetation cover in different seasons compound the ET calculations. The SEBTA was validated by the measured data at the ground level. During validation, it shows that the consistency index reached 0.92 and the correlation coefficient was 0.87.

  15. Numerical study on the stick-slip motion of contact line moving on heterogeneous surfaces

    Science.gov (United States)

    Liu, Ming; Chen, Xiao-Peng

    2017-08-01

    We present a numerical study of a moving contact line (CL) crossing the intersecting region of hydrophilic and hydrophobic patterns on a solid wall using lattice Boltzmann methods (LBMs). To capture the interface between the two phases properly, we applied a phase field model coupled with the LBM. The evolutions of the CL velocity, dynamic contact angle, and apparent contact angle are analyzed for the so-called "stick" and "slip" processes. In the two processes, the evolution of the quantities follows different rules shortly after the initial quick transition, which is probably caused by finite interfacial thickness or non-equilibrium effects. For the stick process, the CL is almost fixed and energy is extracted from the main flow to rebuild the meniscus' profile. The evolution of the meniscus is mainly governed by mass conservation. The CL is depinned after the apparent contact angle surpasses the dynamic one, which implies that the interfacial segment in the vicinity of contact line is bended. For the slip process, the quantities evolve with features of relaxation. In the microscopic scale, the velocity of the CL depends on the balance between unbalanced Young's capillary force and viscous drag. To predict the apparent contact angle evolution, a model following the dynamics of an overdamped spring-mass system is proposed. Our results also show that the capillary flows in a channel with heterogeneous wall can be described generally with the Poiseuille flow superimposed by the above transient one.

  16. Heterogeneity in Multiple Sclerosis: Scratching the Surface of a Complex Disease

    Science.gov (United States)

    Disanto, Giulio; Berlanga, Antonio J.; Handel, Adam E.; Para, Andrea E.; Burrell, Amy M.; Fries, Anastasia; Handunnetthi, Lahiru; De Luca, Gabriele C.; Morahan, Julia M.

    2011-01-01

    Multiple Sclerosis (MS) is the most common demyelinating disease of the central nervous system. Although the etiology and the pathogenesis of MS has been extensively investigated, no single pathway, reliable biomarker, diagnostic test, or specific treatment have yet been identified for all MS patients. One of the reasons behind this failure is likely to be the wide heterogeneity observed within the MS population. The clinical course of MS is highly variable and includes several subcategories and variants. Moreover, apart from the well-established association with the HLA-class II DRB1*15:01 allele, other genetic variants have been shown to vary significantly across different populations and individuals. Finally both pathological and immunological studies suggest that different pathways may be active in different MS patients. We conclude that these “MS subtypes” should still be considered as part of the same disease but hypothesize that spatiotemporal effects of genetic and environmental agents differentially influence MS course. These considerations are extremely relevant, as outcome prediction and personalised medicine represent the central aim of modern research. PMID:21197462

  17. Chemical kinetics: on the heterogeneous catalysis processes leading to an exchange between two phases. Example: isotopic exchange reactions; Cinetique chimique: sur les processus de catalyse 'heterogene' conduisant a un echange entre deux phases. Exemple: reactions d'echange isotopique

    Energy Technology Data Exchange (ETDEWEB)

    Dirian, G; Grandcollot, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1961-07-01

    For an exchange reaction between a gaseous and a liquid phase proceeding by 'heterogeneous' catalysis in the liquid phase, diffusion in the liquid and the chemical reaction are two simultaneous and indivisible processes. We have nevertheless been able to establish criteria making it possible to distinguish between a really homogeneous kinetic process and a pseudo-homogeneous one. (author) [French] Pour une reaction d'echange entre une phase gazeuse et une phase liquide procedant par catalyse 'heterogene' en phase liquide, la diffusion dans le liquide et la reaction chimique sont deux etapes simultanees et indissociables. Nous avons pu neanmoins etablir des criteres permettant de distinguer entre une cinetique homogene vraie et une cinetique pseudo-homogene. (auteur)

  18. Effects of aluminium surface morphology and chemical modification on wettability

    Energy Technology Data Exchange (ETDEWEB)

    Rahimi, M., E-mail: mar@sbi.aau.dk [Department of Energy and Environment, Danish Building Research Institute, Aalborg University, A.C. Meyers Vænge 15, 2450 København SV (Denmark); Fojan, P.; Gurevich, L. [Department of Physics and Nanotechnology, Aalborg University, Skjernvej 4, DK-9220 Aalborg East (Denmark); Afshari, A. [Department of Energy and Environment, Danish Building Research Institute, Aalborg University, A.C. Meyers Vænge 15, 2450 København SV (Denmark)

    2014-03-01

    Highlights: • Successful surface modification procedures on aluminium samples were performed involving formation of the layer of hydrophilic hyperbranched polyethyleneglycol (PEG) via in situ polymerization, molecular vapour deposition of a monolayer of fluorinated silane, and a combination of those. • The groups of surfaces with hydrophobic behavior were found to follow the Wenzel model. • A transition from Cassie–Baxter's to Wenzel's regime was observed due to changing of the surface roughness upon mechanical polishing in aluminium samples. - Abstract: Aluminium alloys are some of the predominant metals in industrial applications such as production of heat exchangers, heat pumps. They have high heat conductivity coupled with a low specific weight. In cold working conditions, there is a risk of frost formation on the surface of aluminium in the presence of water vapour, which can lead to the deterioration of equipment performance. This work addresses the methods of surface modification of aluminium and their effect of the underlying surface morphology and wettability, which are the important parameters for frost formation. Three groups of real-life aluminium surfaces of different morphology: unpolished aluminium, polished aluminium, and aluminium foil, were subjected to surface modification procedures which involved the formation of a layer of hydrophilic hyperbranched polyethyleneglycol via in situ polymerization, molecular vapour deposition of a monolayer of fluorinated silane, and a combination of those. The effect of these surface modification techniques on roughness and wettability of the aluminium surfaces was elucidated by ellipsometry, contact angle measurements and atomic force microscopy. We demonstrated that by employing different types of surface modifications the contact angle of water droplets on aluminium samples can be varied from 12° to more than 120°. A crossover from Cassie–Baxter to Wenzel regime upon changing the surface

  19. Imaging of Mechanical Properties of Soft Matter. From Heterogeneous Polymer Surfaces to Single Biomolecules

    NARCIS (Netherlands)

    Schön, Peter Manfred; Gosa, Maria; Vancso, Gyula J.

    2013-01-01

    In recent years the atomic force microscope (AFM) has evolved from a high resolution imaging tool to an enabling platform for physical studies at the nanoscale including quantitative mapping of mechanical characteristics of surfaces providing simultaneous topography and mechanical property maps

  20. Heterogeneous surface fluxes and their effects on the SGP CART site

    International Nuclear Information System (INIS)

    Doran, J.C.; Hu, Q.; Hubbe, J.M.; Liljegren, J.C.; Shaw, W.J.; Zhong, S.; Collatz, G.J.

    1995-03-01

    The treatment of subgrid-scale variations of surface properties and the resultant spatial variations of sensible and latent heat fluxes has received increasing attention in recent years. Mesoscale numerical simulations of highly idealized conditions, in which strong flux contrasts exist between adjacent surfaces, have shown that under some circumstances the secondary circulations induced by land-use differences can significantly affect the properties of the planetary boundary layer (PBL) and the region of the atmosphere above the PBL. At the Southern Great Plains (SGP) Cloud and Radiation Testbed (CART) site, the fluxes from different land-surface types are not expected to differ as dramatically as those found in idealized simulations. Although the corresponding effects on the atmosphere should thus be less dramatic, they are still potentially important. From an ARM perspective, in tests of single column models (SCMs) it would be useful to understand the effects of the lower boundary conditions on model performance. We describe here our initial efforts to characterize the variable surface fluxes over the CART site and to assess their effects on the PBL that are important for the performance of SCMs

  1. Pronounced zonal heterogeneity in Eocene southern high-latitude sea surface temperatures

    NARCIS (Netherlands)

    Douglas, P.M.J.; Affek, H.P.; Ivany, L.C.; Houben, A.J.P.; Sijp, W.P.; Sluijs, A.; Schouten, S.; Pagani, M.

    2014-01-01

    Paleoclimate studies suggest that increased global warmth during the Eocene epoch was greatly amplified at high latitudes, a state that climate models cannot fully reproduce. However, proxy estimates of Eocene near-Antarctic sea surface temperatures (SSTs) have produced widely divergent results at

  2. Final Technical Report: Metal—Organic Surface Catalyst for Low-temperature Methane Oxidation: Bi-functional Union of Metal—Organic Complex and Chemically Complementary Surface

    Energy Technology Data Exchange (ETDEWEB)

    Tait, Steven L. [Indiana Univ., Bloomington, IN (United States)

    2016-10-01

    Stabilization and chemical control of transition metal centers is a critical problem in the advancement of heterogeneous catalysts to next-generation catalysts that exhibit high levels of selectivity, while maintaining strong activity and facile catalyst recycling. Supported metal nanoparticle catalysts typically suffer from having a wide range of metal sites with different coordination numbers and varying chemistry. This project is exploring new possibilities in catalysis by combining features of homogeneous catalysts with those of heterogeneous catalysts to develop new, bi-functional systems. The systems are more complex than traditional heterogeneous catalysts in that they utilize sequential active sites to accomplish the desired overall reaction. The interaction of metal—organic catalysts with surface supports and their interactions with reactants to enable the catalysis of critical reactions at lower temperatures are at the focus of this study. Our work targets key fundamental chemistry problems. How do the metal—organic complexes interact with the surface? Can those metal center sites be tuned for selectivity and activity as they are in the homogeneous system by ligand design? What steps are necessary to enable a cooperative chemistry to occur and open opportunities for bi-functional catalyst systems? Study of these systems will develop the concept of bringing together the advantages of heterogeneous catalysis with those of homogeneous catalysis, and take this a step further by pursuing the objective of a bi-functional system. The use of metal-organic complexes in surface catalysts is therefore of interest to create well-defined and highly regular single-site centers. While these are not likely to be stable in the high temperature environments (> 300 °C) typical of industrial heterogeneous catalysts, they could be applied in moderate temperature reactions (100-300 °C), made feasible by lowering reaction temperatures by better catalyst control. They also

  3. Performing chemical reactions in virtual capillary of surface tension ...

    Indian Academy of Sciences (India)

    The flow paths were fabricated by making parallel lines using permanent marker pen ink or other polymer on glass surfaces. Two mirror image patterned glass plates were then sandwiched one on top of the other, separated by a thin gap - created using a spacer. The aqueous liquid moves between the surfaces by capillary ...

  4. Heterogeneous conversion of NO2 on secondary organic aerosol surfaces: A possible source of nitrous acid (HONO in the atmosphere?

    Directory of Open Access Journals (Sweden)

    R. Bröske

    2003-01-01

    Full Text Available The heterogeneous conversion of NO2 on different secondary organic aerosols (SOA was investigated with the focus on a possible formation of nitrous acid (HONO. In one set of experiments different organic aerosols were produced in the reactions of O3 with alpha-pinene, limonene or catechol and OH radicals with toluene or limonene, respectively. The aerosols were sampled on filters and exposed to humidified NO2  mixtures under atmospheric conditions. The estimated upper limits for the uptake coefficients of NO2  and the reactive uptake coefficients NO2  -> HONO are in the range of 10-6 and 10-7, respectively. The integrated HONO formation for 1 h reaction time was 13 cm-2 geometrical surface and 17 g-1 particle mass. In a second set of experiments the conversion of NO2 into HONO in the presence of organic particles was carried out in an aerosol flow tube under atmospheric conditions. In this case the aerosols were produced in the reaction of O3 with beta-pinene, limonene or catechol, respectively. The upper limits for the reactive uptake coefficients NO2 -> HONO were in the range of 7 x 10-7 - 9 x 10-6. The results from the present study show that heterogeneous formation of nitrous acid on secondary organic aerosols (SOA is unimportant for the atmosphere.

  5. A comparison of chemical compositions of reported altered oceanic crusts and global MORB data set: implication for isotopic heterogeneity of recycled materials

    Science.gov (United States)

    Shimoda, G.; Kogiso, T.

    2017-12-01

    Chemical composition of altered oceanic crust is one of important constraints to delineate chemical heterogeneity of the mantle. Accordingly, many researchers have been studied to determine bulk chemical composition of altered oceanic crust mainly based on chemical compositions of old oceanic crusts at Site 801 and Site 417/418, and young crust at Site 504 (e.g., Staudigel et al., 1996; Bach et al. 2003; Kuo et al., 2016). Their careful estimation provided reliable bulk chemical compositions of these Sites and revealed common geochemical feature of alteration. To assess effect of recycling of altered oceanic crust on chemical evolution of the mantle, it might be meaningful to discuss whether the reported chemical compositions of altered oceanic crusts can represent chemical composition of globally subducted oceanic crusts. Reported chemical compositions of fresh glass or less altered samples from Site 801, 417/418 and 504 were highly depleted compared to that of global MORB reported by Gale et al. (2013), suggesting that there might be sampling bias. Hence, it could be important to consider chemical difference between oceanic crusts of these three Sites and global MORB to discuss effect of recycling of oceanic crust on isotopic heterogeneity of the mantle. It has been suggested that one of controlling factors of chemical variation of oceanic crust is crustal spreading rate because different degree of partial melting affects chemical composition of magmas produced at a mid-ocean ridge. Crustal spreading rate could also affect intensity of alteration. Namely, oceanic crusts produced at slow-spreading ridges may prone to be altered due to existence of larger displacement faults compared to fast spreading ridges which have relatively smooth topography. Thus, it might be significant to evaluate isotopic evolution of oceanic crusts those were produced at different spreading rates. In this presentation, we will provide a possible chemical variation of altered oceanic

  6. Chemical bonding of water to metal surfaces studied with core-level spectroscopies

    DEFF Research Database (Denmark)

    Schiros, T.; Andersson, Klas Jerker; Pettersson, L.G.M.

    2010-01-01

    The nature of the contact layer of water on surfaces is of relevance for many practical fields, including corrosion, electrochemistry, environmental science and heterogeneous catalysis. Here we focus on the geometric and electronic structure of the water contact layer on transition metal surfaces......-specific information on the partial local density of states, local atomic structure, geometrical parameters and molecular orientation, allowing general principles for water-metal interaction to be derived....

  7. Influence of aromatic compounds on the quantity and heterogeneity of surface lipids of Kalanchoe

    Directory of Open Access Journals (Sweden)

    L. S. Pacshenko

    2009-12-01

    Full Text Available The component composition of surface lipids of kalanchoe leaves under the influence of strong solutions of monochlorobenzene, nonylphenol and 2,4,6-trinitrophenol was studied. It was shown that the plants adaptations to the exogenous influence included the elongation processes of the oxocompounds specifically to the structure of the xenobiotic and the increasing of the total quantity of the surface lipids independently from their nature. Monochlorobenzene decreases the biosynthesis of oxocompounds and upsets its elongation. It results in creation of short-chain polar substances. Nonylphenol also decreases the biosynthesis of oxocompounds, but it is accompanied by the activation of its elongation. 2,4,6-trinitrophenol  increases of the oxocompounds fraction and activates its elongation.

  8. Eddy covariance measurement of the spatial heterogeneity of surface energy exchanges over Heron Reef, Great Barrier Reef, Australia

    Science.gov (United States)

    MacKellar, M.; McGowan, H. A.; Phinn, S. R.

    2011-12-01

    Coral reefs cover 2.8 to 6.0 x 105 km2 of the Earth's surface and are warm, shallow regions that are believed to contribute enhanced sensible and latent heat to the atmosphere, relative to the surrounding ocean. To predict the impact of climate variability on coral reefs and their weather and climate including cloud, winds, rainfall patterns and cyclone genesis, accurate parameterisation of air-sea energy exchanges over coral reefs is essential. This is also important for the parameterisation and validation of regional to global scale forecast models to improve prediction of tropical and sub-tropical marine and coastal weather. Eddy covariance measurements of air-sea fluxes over coral reefs are rare due to the complexities of installing instrumentation over shallow, tidal water. Consequently, measurements of radiation and turbulent flux data for coral reefs have been captured remotely (satellite data) or via single measurement sites downwind of coral reefs (e.g. terrestrial or shipboard instrumentation). The resolution of such measurements and those that have been made at single locations on reefs may not capture the spatial heterogeneity of surface-atmosphere energy exchanges due to the different geomorphic and biological zones on coral reefs. Accordingly, the heterogeneity of coral reefs with regard to substrate, benthic communities and hydrodynamic processes are not considered in the characterization of the surface radiation energy flux transfers across the water-atmosphere interface. In this paper we present a unique dataset of concurrent in situ eddy covariance measurements made on instrumented pontoons of the surface energy balance over different geomorphic zones of a coral reef (shallow reef flat, shallow and deep lagoons). Significant differences in radiation transfers and air-sea turbulent flux exchanges over the reef were highlighted, with higher Bowen ratios over the shallow reef flat. Increasing wind speed was shown to increase flux divergence between

  9. Elaborate Manipulation for Sub-10 nm Hollow Catalyst Sensitized Heterogeneous Oxide Nanofibers for Room Temperature Chemical Sensors.

    Science.gov (United States)

    Jang, Ji-Soo; Choi, Seon-Jin; Koo, Won-Tae; Kim, Sang-Joon; Cheong, Jun Young; Kim, Il-Doo

    2017-07-26

    Room-temperature (RT) operation sensors are constantly in increasing demand because of their low power consumption, simple operation, and long lifetime. However, critical challenges such as low sensing performance, vulnerability under highly humid state, and poor recyclability hinder their commercialization. In this work, sub-10 nm hollow, bimetallic Pt-Ag nanoparticles (NPs) were successfully formed by galvanic replacement reaction in bioinspired hollow protein templates and sensitized on the multidimensional SnO 2 -WO 3 heterojunction nanofibers (HNFs). Formation of hollow, bimetallic NPs resulted in the double-side catalytic effect, rendering both surface and inner side chemical reactions. Subsequently, SnO 2 -WO 3 HNFs were synthesized by incorporating 2D WO 3 nanosheets (NSs) with 0D SnO 2 sphere by c-axis growth inhibition effect and fluid dynamics of liquid Sn during calcination. Hierarchically assembled HNFs effectively modulate surface depletion layer of 2D WO 3 NSs by electron transfers from WO 3 to SnO 2 stemming from creation of heterojunction. Careful combination of bimetallic catalyst NPs with HNFs provided an extreme recyclability under exhaled breath (95 RH%) with outstanding H 2 S sensitivity. Such sensing platform clearly distinguished between the breath of healthy people and simulated halitosis patients.

  10. MHD Convective Flow of Jeffrey Fluid Due to a Curved Stretching Surface with Homogeneous-Heterogeneous Reactions.

    Directory of Open Access Journals (Sweden)

    Maria Imtiaz

    Full Text Available This paper looks at the flow of Jeffrey fluid due to a curved stretching sheet. Effect of homogeneous-heterogeneous reactions is considered. An electrically conducting fluid in the presence of applied magnetic field is considered. Convective boundary conditions model the heat transfer analysis. Transformation method reduces the governing nonlinear partial differential equations into the ordinary differential equations. Convergence of the obtained series solutions is explicitly discussed. Characteristics of sundry parameters on the velocity, temperature and concentration profiles are analyzed by plotting graphs. Computations for pressure, skin friction coefficient and surface heat transfer rate are presented and examined. It is noted that fluid velocity and temperature through curvature parameter are enhanced. Increasing values of Biot number correspond to the enhancement in temperature and Nusselt number.

  11. Significant impacts of heterogeneous reactions on the chemical composition and mixing state of dust particles: A case study during dust events over northern China

    Science.gov (United States)

    Wang, Zhe; Pan, Xiaole; Uno, Itsushi; Li, Jie; Wang, Zifa; Chen, Xueshun; Fu, Pingqing; Yang, Ting; Kobayashi, Hiroshi; Shimizu, Atsushi; Sugimoto, Nobuo; Yamamoto, Shigekazu

    2017-06-01

    The impact of heterogeneous reactions on the chemical components and mixing state of dust particles are investigated by observations and an air quality model over northern China between March 27, 2015 and April 2, 2015. Synergetic observations were conducted using a polarization optical particle counter (POPC), a depolarized two-wavelength Lidar and filter samples in Beijing. During this period, dust plume passed through Beijing on March 28, and flew back on March 29 because of synoptic weather changes. Mineral dust mixed with anthropogenic pollutants was simulated using the Nested Air Quality Prediction Modeling System (NAQPMS) to examine the role of heterogeneous processes on the dust. A comparison of observations shows that the NAQPMS successfully reproduces the time series of the vertical profile, particulate matter concentration, and chemical components of fine mode (diameter ≤ 2.5 μm) and coarse mode (2.5 μm mixed with dust particles. The significant alterations of the chemical composition and mixing state of particles due to heterogeneous reactions are important for the direct and indirect climate effects of dust and anthropogenic aerosols.

  12. chemical and microbiological assessment of surface water samples

    African Journals Online (AJOL)

    PROF EKWUEME

    were investigated in this study: Nine samples from different surface water bodies, two samples from two effluent sources ... Ezeagu, Udi, Nkanu, Oji River and some parts of Awgu and Aninri ..... Study of Stream Output from Small Catchments.

  13. Thermal dewetting with a chemically heterogeneous nano-template for self-assembled L1(0) FePt nanoparticle arrays.

    Science.gov (United States)

    Wang, Liang-Wei; Cheng, Chung-Fu; Liao, Jung-Wei; Wang, Chiu-Yen; Wang, Ding-Shuo; Huang, Kuo-Feng; Lin, Tzu-Ying; Ho, Rong-Ming; Chen, Lih-Juann; Lai, Chih-Huang

    2016-02-21

    A design for the fabrication of metallic nanoparticles is presented by thermal dewetting with a chemically heterogeneous nano-template. For the template, we fabricate a nanostructured polystyrene-b-polydimethylsiloxane (PS-b-PDMS) film on a Si|SiO2 substrate, followed by a thermal annealing and reactive ion etching (RIE) process. This gives a template composed of an ordered hexagonal array of SiOC hemispheres emerging in the polystyrene matrix. After the deposition of a FePt film on this template, we utilize the rapid thermal annealing (RTA) process, which provides in-plane stress, to achieve thermal dewetting and structural ordering of FePt simultaneously. Since the template is composed of different composition surfaces with periodically varied morphologies, it offers more tuning knobs to manipulate the nanostructures. We show that both the decrease in the area of the PS matrix and the increase in the strain energy relaxation transfer the dewetted pattern from the randomly distributed nanoparticles into a hexagonal periodic array of L10 FePt nanoparticles. Transmission electron microscopy with the in situ heating stage reveals the evolution of the dewetting process, and confirms that the positions of nanoparticles are aligned with those of the SiOC hemispheres. The nanoparticles formed by this template-dewetting show an average diameter and center-to-center distance of 19.30 ± 2.09 nm and 39.85 ± 4.80 nm, respectively. The hexagonal array of FePt nanoparticles reveals a large coercivity of 1.5 T, much larger than the nanoparticles fabricated by top-down approaches. This approach offers an efficient pathway toward self-assembled nanostructures in a wide range of material systems.

  14. Iodide adsorption on the surface of chemically pretreated clinoptilolite

    International Nuclear Information System (INIS)

    Chmielewska-Horvatova, E.; Lesny, J.

    1995-01-01

    The possibility to use the monoionic Ag +- form (eventually Hg +- and Hg 2+ -forms) of clinoptilolite of domestic origin for radioactive iodide elimination from waters has been studied. The capacity of the monoforms of clinoptilolite towards iodide exceeds many times that of the capacity of clinoptilolite in natural form. Due to the low solubility product of AgI, Hg 2 I 2 and HgI 2 iodides generate precipitates on the zeolite surface. Rtg analyses of the silver form of clinoptilolite after sorption of iodide demonstrate the formation of new crystals on the zeolite surface. The influence of interfering anions on the adsorption capacity of silver clinoptilolite towards iodide was investigated, too. Kinetic curves of iodide desorption from the surface of silver and mercury clinoptilolite were compared. Simultaneously, adsorption isotherms for the systems aqueous iodide solution/Ag-, Hg-clinoptilolite were determined. (author) 6 refs.; 7 figs.; 4 tabs

  15. Functionalization of Hydrogenated Chemical Vapour Deposition-Grown Graphene by On-Surface Chemical Reactions

    Czech Academy of Sciences Publication Activity Database

    Drogowska, Karolina; Kovaříček, Petr; Kalbáč, Martin

    2017-01-01

    Roč. 23, č. 17 (2017), s. 4022-4022 ISSN 1521-3765 Institutional support: RVO:61388955 Keywords : Chemical vapor deposition * Hydrogenation * Graphene Subject RIV: CF - Physical ; Theoretical Chemistry

  16. Importance of physical vs. chemical interactions in surface shear rheology

    NARCIS (Netherlands)

    Wierenga, P.A.; Kosters, H.A.; Egmond, M.R.; Voragen, A.G.J.; Jongh, de H.H.J.

    2006-01-01

    The stability of adsorbed protein layers against deformation has in literature been attributed to the formation of a continuous gel-like network. This hypothesis is mostly based on measurements of the increase of the surface shear elasticity with time. For several proteins this increase has been

  17. Downscaling Meteosat Land Surface Temperature over a Heterogeneous Landscape Using a Data Assimilation Approach

    Directory of Open Access Journals (Sweden)

    Rihab Mechri

    2016-07-01

    Full Text Available A wide range of environmental applications require the monitoring of land surface temperature (LST at frequent intervals and fine spatial resolutions, but these conditions are not offered nowadays by the available space sensors. To overcome these shortcomings, LST downscaling methods have been developed to derive higher resolution LST from the available satellite data. This research concerns the application of a data assimilation (DA downscaling approach, the genetic particle smoother (GPS, to disaggregate Meteosat 8 LST time series (3 km × 5 km at finer spatial resolutions. The methodology was applied over the Crau-Camargue region in Southeastern France for seven months in 2009. The evaluation of the downscaled LSTs has been performed at a moderate resolution using a set of coincident clear-sky MODIS LST images from Aqua and Terra platforms (1 km × 1 km and at a higher resolution using Landsat 7 data (60 m × 60 m. The performance of the downscaling has been assessed in terms of reduction of the biases and the root mean square errors (RMSE compared to prior model-simulated LSTs. The results showed that GPS allows downscaling the Meteosat LST product from 3 × 5 km2 to 1 × 1 km2 scales with a RMSE less than 2.7 K. Finer scale downscaling at Landsat 7 resolution showed larger errors (RMSE around 5 K explained by land cover errors and inter-calibration issues between sensors. Further methodology improvements are finally suggested.

  18. Esterification Optimization of Crude African Palm Olein Using Response Surface Methodology and Heterogeneous Acid Catalysis

    Directory of Open Access Journals (Sweden)

    Francisco Anguebes-Franseschi

    2018-01-01

    Full Text Available In this work, the effect of zeolite montmorillonite KSF in the esterification of free fatty acids (FFAs of crude African palm olein (Eleaias guinnesis Jacq was studied. To optimize the esterification of FFAs of the crude African palm olein (CAPO, the response surface methodology (RSM that was based on a central composite rotatable design (CCRD was used. The effects of three parameters were investigated: (a catalyst loading (2.6–9.4 wt %, (b reaction temperature (133.2–166.2 °C, and (c reaction time (0.32–3.68 h. The Analysis of variance (ANOVA indicated that linear terms of catalyst loading (X1, reaction temperature (X2, the quadratic term of catalyst loading ( X 1 2 , temperature reaction ( X 2 2 , reaction time ( X 3 2 , the interaction catalyst loading with reaction time ( X 1 * X3, and the interaction reaction temperature with reaction time ( X 2 * X3 have a significant effect (p < 0.05 with a 95% confidence level on Fatty Methyl Ester (FAME yield. The result indicated that the optimum reaction conditions to esterification of FFAs were: catalyst loading 9.4 wt %, reaction temperature 155.5 °C, and 3.3 h for reaction time, respectively. Under these conditions, the numerical estimation of FAME yield was 91.81 wt %. This result was experimentally validated obtaining a difference of 1.7% FAME yield, with respect to simulated values.

  19. Chemical switches and logic gates based on surface modified semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Konrad, Szacilowski; Wojciech, Macyk [Jagiellonian Univ., Dept. of Chemistry, Krakow (Poland)

    2006-02-15

    Photoelectrochemical properties of multicomponent photo-electrodes based on titanium dioxide and cadmium sulfide powders modified with hexacyanoferrate complexes have been examined. Photocurrent responses were recorded as functions of applied potential and photon energy. Surprisingly, the photocurrent can be switched between positive and negative values as a result of potential or photon energy changes. This new effect called Photo Electrochemical Photocurrent Switching (PEPS) opens a possibility of new chemical switches and logic gates construction. Boolean logic analysis and a tentative mechanism of the device are discussed. (authors)

  20. Converting chemical energy into electricity through a functionally cooperating device with diving-surfacing cycles.

    Science.gov (United States)

    Song, Mengmeng; Cheng, Mengjiao; Ju, Guannan; Zhang, Yajun; Shi, Feng

    2014-11-05

    A smart device that can dive or surface in aqueous medium has been developed by combining a pH-responsive surface with acid-responsive magnesium. The diving-surfacing cycles can be used to convert chemical energy into electricity. During the diving-surfacing motion, the smart device cuts magnetic flux lines and produces a current, demonstrating that motional energy can be realized by consuming chemical energy of magnesium, thus producing electricity. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. A numerical study of three-dimensional droplets spreading on chemically patterned surfaces

    KAUST Repository

    Zhong, Hua; Wang, Xiao-Ping; Sun, Shuyu

    2016-01-01

    We study numerically the three-dimensional droplets spreading on physically flat chemically patterned surfaces with periodic squares separated by channels. Our model consists of the Navier-Stokes-Cahn-Hilliard equations with the generalized Navier

  2. Forensic collection of trace chemicals from diverse surfaces with strippable coatings.

    Science.gov (United States)

    Jakubowski, Michael J; Beltis, Kevin J; Drennan, Paul M; Pindzola, Bradford A

    2013-11-07

    Surface sampling for chemical analysis plays a vital role in environmental monitoring, industrial hygiene, homeland security and forensics. The standard surface sampling tool, a simple cotton gauze pad, is failing to meet the needs of the community as analytical techniques become more sensitive and the variety of analytes increases. In previous work, we demonstrated the efficacy of non-destructive, conformal, spray-on strippable coatings for chemical collection from simple glass surfaces. Here we expand that work by presenting chemical collection at a low spiking level (0.1 g m(-2)) from a diverse array of common surfaces - painted metal, engineering plastics, painted wallboard and concrete - using strippable coatings. The collection efficiency of the strippable coatings is compared to and far exceeds gauze pads. Collection from concrete, a particular challenge for wipes like gauze, averaged 73% over eight chemically diverse compounds for the strippable coatings whereas gauze averaged 10%.

  3. Surface Properties of a Novel Poly(vinyl alcohol Film Prepared by Heterogeneous Saponification of Poly(vinyl acetate Film

    Directory of Open Access Journals (Sweden)

    Seong Baek Yang

    2017-10-01

    Full Text Available Almost general poly(vinyl alcohol (PVA films were prepared by the processing of a PVA solution. For the first time, a novel poly(vinyl alcohol (PVA film was prepared by the saponification of a poly(vinyl acetate (PVAc film in a heterogenous medium. Under the same saponification conditions, the influence of saponification time on the degree of saponification (DS was studied for the preparation of the saponified PVA film, and it was found that the DS varied with time. Optical microscopy was used to confirm the characteristics and surface morphology of the saponified PVA film, revealing unusual black globules in the film structure. The contact angle of the films was measured to study the surface properties, and the results showed that the saponified PVA film had a higher contact angle than the general PVA film. To confirm the transformation of the PVAc film to the PVA film, 1H nuclear magnetic resonance spectroscopy, X-ray diffraction measurements, differential scanning calorimetry, and Fourier-transform infrared spectroscopy were employed.

  4. Scaling Analysis of Ocean Surface Turbulent Heterogeneities from Satellite Remote Sensing: Use of 2D Structure Functions.

    Directory of Open Access Journals (Sweden)

    P R Renosh

    Full Text Available Satellite remote sensing observations allow the ocean surface to be sampled synoptically over large spatio-temporal scales. The images provided from visible and thermal infrared satellite observations are widely used in physical, biological, and ecological oceanography. The present work proposes a method to understand the multi-scaling properties of satellite products such as the Chlorophyll-a (Chl-a, and the Sea Surface Temperature (SST, rarely studied. The specific objectives of this study are to show how the small scale heterogeneities of satellite images can be characterised using tools borrowed from the fields of turbulence. For that purpose, we show how the structure function, which is classically used in the frame of scaling time series analysis, can be used also in 2D. The main advantage of this method is that it can be applied to process images which have missing data. Based on both simulated and real images, we demonstrate that coarse-graining (CG of a gradient modulus transform of the original image does not provide correct scaling exponents. We show, using a fractional Brownian simulation in 2D, that the structure function (SF can be used with randomly sampled couple of points, and verify that 1 million of couple of points provides enough statistics.

  5. SEM, Scanning Auger and XPS characterization of chemically pretreated Ti surfaces intended for biomedical applications

    Energy Technology Data Exchange (ETDEWEB)

    Pisarek, M. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland)], E-mail: marcinp@ichf.edu.pl; Lewandowska, M. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Roguska, A. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Kurzydlowski, K.J. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Woloska 141, 02-507 Warsaw (Poland); Janik-Czachor, M. [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland)

    2007-07-15

    Titanium is known as a biocompatible metal characterized by biological and corrosion immunity and good mechanical properties, including a high fracture toughness. In a variety of environments, this metal undergoes 'natural' oxidation which determine its resistance to corrosion. It can also be exposed to chemical treatments in acidic or alkaline solutions which 'enforces' chemical and morphological changes of Ti surface. Those methods, if well controlled, may increase the effective Ti surface area, making it more biocompatible. However, the morphological and chemical factors responsible for their interactions with biological cells are still not well known. The aim of this work was to compare surface chemical and morphological changes introduced by commonly used aqueous NaOH pretreatment with those occurring in a new 'piranha' acidic solution. Particular attention was paid to possible changes which may be decisive for the biocompatibility of the Ti-elements subjected to these surface modifications. Surface analytical techniques such as Auger electron spectroscopy (AES) or X-ray photoelectron spectroscopy (XPS) combined with Ar{sup +} ion sputtering allowed us to investigate in detail the chemical composition of Ti oxide layers. SEM examinations provided morphological characterization of the surface of Ti samples. The results revealed large difference in morphology of Ti surfaces pretreated with different procedures whereas only minor difference in the chemistry of the surfaces were detected.

  6. Simultaneous tuning of chemical composition and topography of copolymer surfaces: micelles as building blocks.

    Science.gov (United States)

    Zhao, Ning; Zhang, Xiaoyan; Zhang, Xiaoli; Xu, Jian

    2007-05-14

    A simple method is described for controlling the surface chemical composition and topography of the diblock copolymer poly(styrene)-b-poly(dimethylsiloxane)(PS-b-PDMS) by casting the copolymer solutions from solvents with different selectivities. The surface morphology and chemical composition were characterized by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS), respectively, and the wetting behavior was studied by water contact angle (CA) and sliding angle (SA) and by CA hysteresis. Chemical composition and morphology of the surface depend on solvent properties, humidity of the air, solution concentration, and block lengths. If the copolymer is cast from a common solvent, the resultant surface is hydrophobic, with a flat morphology, and dominated by PDMS on the air side. From a PDMS-selective solvent, the surface topography depends on the morphology of the micelles. Starlike micelles give rise to a featureless surface nearly completely covered by PDMS, while crew-cut-like micelles lead to a rough surface with a hierarchical structure that consists partly of PDMS. From a PS-selective solvent, however, surface segregation of PDMS was restricted, and the surface morphology can be controlled by vapor-induced phase separation. On the basis of the tunable surface roughness and PDMS concentration on the air side, water repellency of the copolymer surface could be tailored from hydrophobic to superhydrophobic. In addition, reversible switching behavior between hydrophobic and superhydrophobic can be achieved by exposing the surface to solvents with different selectivities.

  7. Intraparticulate Metal Speciation Analysis of Soft Complexing Nanoparticles. The Intrinsic Chemical Heterogeneity of Metal-Humic Acid Complexes

    DEFF Research Database (Denmark)

    Town, R. M.; van Leeuwen, Herman P.

    2016-01-01

    ion condensation potential for higher valency counterions within the intraparticulate double layer zone of the soft NP. The approach offers new insights into the intrinsic heterogeneity of the HA. complexes, as revealed by the intraparticulate speciation as a function of the true degree of inner......-sphere complexation, theta(M). The ensuing intrinsic heterogeneity parameters, Gamma, for CdHA and CuHA complexes are in very good agreement with those obtained from dynamic electrochemical stripping chronopotentiometric measurements. The overall intraparticulate metal ion speciation is found to depend on theta...

  8. Laser and chemical surface modifications of titanium grade 2 for medical application

    Energy Technology Data Exchange (ETDEWEB)

    Kwaśniak, P. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw (Poland); Pura, J., E-mail: jaroslawpura@gmail.com [Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw (Poland); Zwolińska, M.; Wieciński, P. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw (Poland); Skarżyński, H.; Olszewski, L. [Institute of Physiology and Pathology of Hearing, Warsaw (Poland); World Hearing Center, Kajetany (Poland); Marczak, J. [Military University of Technology, Institute of Optoelectronics, Warsaw (Poland); Garbacz, H.; Kurzydłowski, K.J. [Faculty of Materials Science and Engineering, Warsaw University of Technology, Warsaw (Poland)

    2015-05-01

    Highlights: • DLIL technique and etching were used for functionalization of Ti grade 2 surface. • Modification was performed on semi-finished flat and curved Ti surfaces. • Modification results in periodic multimodal (micro and nano-size) Ti topography. - Abstract: The article presents combined, chemical and physical approach to titanium surface functionalization designed for biomedical applications. The topography modification has been obtained by employing the double laser beam interference technique and chemical etching. In the outcome, clean and smooth Ti surface as well as periodic striated topography with the roughness range from nano- to micrometers were created. The obtained structures were characterized in terms of shape, roughness, chemical composition, mechanical properties and microstructures. In order to achieve all information, numerous of research methods have been used: scanning electron microscopy, atomic force microscopy, optical profilometry and microhardness measurements. Demonstrated methodology can be used as an effective tool for manufacturing controlled surface structures improving the bone–implants interactions.

  9. Surface characterization and chemical analysis of bamboo substrates pretreated by alkali hydrogen peroxide.

    Science.gov (United States)

    Song, Xueping; Jiang, Yan; Rong, Xianjian; Wei, Wei; Wang, Shuangfei; Nie, Shuangxi

    2016-09-01

    The surface characterization and chemical analysis of bamboo substrates by alkali hydrogen peroxide pretreatment (AHPP) were investigated in this study. The results tended to manifest that AHPP prior to enzymatic and chemical treatment was potential for improving accessibility and reactivity of bamboo substrates. The inorganic components, organic solvent extractives and acid-soluble lignin were effectively removed by AHPP. X-ray photoelectron spectroscopy (XPS) analysis indicated that the surface of bamboo chips had less lignin but more carbohydrate after pre-treatment. Fiber surfaces became etched and collapsed, and more pores and debris on the substrate surface were observed with Scanning Electron Microscopy (SEM). Brenauer-Emmett-Teller (BET) results showed that both of pore volume and surface area were increased after AHPP. Although XRD analysis showed that AHPP led to relatively higher crystallinity, pre-extraction could overall enhance the accessibility of enzymes and chemicals into the bamboo structure. Copyright © 2016. Published by Elsevier Ltd.

  10. Cell behavior related to implant surfaces with different microstructure and chemical composition: an in vitro analysis.

    Science.gov (United States)

    Conserva, Enrico; Lanuti, Anna; Menini, Maria

    2010-01-01

    This paper reports on an in vitro comparison of osteoblast and mesenchymal stem cell (MSC) adhesion, proliferation, and differentiation related to two different surface treatments applied to the same implant design to determine whether the interaction between cells and implants is influenced by surface structure and chemical composition of the implants. Thirty-nine implants with a sandblasted (SB) surface and 39 implants with a grit-blasted and high-temperature acid-etched (GBAE) surface were used. The implant macrostructures and microstructures were analyzed by high- and low-voltage scanning electron microscopy (SEM) and by stereo-SEM. The surface chemical composition was investigated by energy dispersive analysis and x-ray photoemission spectroscopy. SaOS-2 osteoblasts and human MSCs were used for the evaluation of cell proliferation and alkaline phosphatase enzymatic activity in contact with the two surfaces. The GBAE surface showed fewer contaminants and a very high percentage of titanium (19.7%) compared to the SB surface (14.2%). The two surfaces showed similar mean roughness (Ra), but the depth (Rz) and density (RSm) of the porosity were significantly increased in the GBAE surface. The GBAE surface presented more osteoblast and MSC proliferation than the SB surface. No statistically significant differences in alkaline phosphatase activity were found between surfaces for either cellular line. The GBAE surface showed less surface contaminants and a higher percentage of titanium (19.7%) than the SB surface. The macro/micropore structured design and chemical composition of the GBAE surface allowed greater cell adhesion and proliferation and an earlier cell spreading but did not play an obvious role in in vitro cellular differentiation.

  11. Probabilistic human health risk assessment of degradation-related chemical mixtures in heterogeneous aquifers: Risk statistics, hot spots, and preferential channels

    Science.gov (United States)

    Henri, Christopher V.; Fernàndez-Garcia, Daniel; de Barros, Felipe P. J.

    2015-06-01

    The increasing presence of toxic chemicals released in the subsurface has led to a rapid growth of social concerns and the need to develop and employ models that can predict the impact of groundwater contamination on human health risk under uncertainty. Monitored natural attenuation is a common remediation action in many contamination cases. However, natural attenuation can lead to the production of daughter species of distinct toxicity that may pose challenges in pollution management strategies. The actual threat that these contaminants pose to human health depends on the interplay between the complex structure of the geological media and the toxicity of each pollutant byproduct. This work addresses human health risk for chemical mixtures resulting from the sequential degradation of a contaminant (such as a chlorinated solvent) under uncertainty through high-resolution three-dimensional numerical simulations. We systematically investigate the interaction between aquifer heterogeneity, flow connectivity, contaminant injection model, and chemical toxicity in the probabilistic characterization of health risk. We illustrate how chemical-specific travel times control the regime of the expected risk and its corresponding uncertainties. Results indicate conditions where preferential flow paths can favor the reduction of the overall risk of the chemical mixture. The overall human risk response to aquifer connectivity is shown to be nontrivial for multispecies transport. This nontriviality is a result of the interaction between aquifer heterogeneity and chemical toxicity. To quantify the joint effect of connectivity and toxicity in health risk, we propose a toxicity-based Damköhler number. Furthermore, we provide a statistical characterization in terms of low-order moments and the probability density function of the individual and total risks.

  12. Physical and chemical properties of materials surfaces and interfaces

    International Nuclear Information System (INIS)

    Barbier, G.; Chevarier, A.; Chevarier, N.; Duclot, J.C.; Jaffrezic, C.; Leblond, E.; Millard-Pinard, N.; Marest, G.; Moncoffre, N.; Plantier, A.; Somatri, R.

    1998-01-01

    These studies are based on the combination of ion implantation and nuclear analysis techniques. They are performed on metals, semiconductors and ceramic materials in collaboration with laboratories involved in the elaboration of these materials. The different studies are the following: 1. surface treatment of aluminium using ion beam techniques; 2. hydrogen release in new plasma facing materials in Tokamak devices; 3. development of ion beam analysis methods to determine elementary depth profiles in thin films used in micro electronics; 4. Moessbauer studies of oxides prepared by laser ablation and ion implantation. (authors)

  13. Analysis of the influence of chemical treatment to the strength and surface roughness of FDM

    Science.gov (United States)

    Hambali, R. H.; Cheong, K. M.; Azizan, N.

    2017-06-01

    The applications of Additive Manufacturing (AM) technology have a greater functionality and wider range of application beyond an intention of prototyping. AM is the process of joining materials to form objects from Computer-Aided Design (CAD) models via layer upon layer process. One of AM technologies is the Fused Deposition Modelling (FDM), which use an extrusion method to create a part. FDM has been applied in many manufacturing applications includes an end-used parts. However, FDM tends to have bad surface quality due to staircase effect and post treatment is required. This chemical treatment is one of a way to improve the surface roughness of FDM fabricated parts. This method is one of economical and faster method. In order to enhance the surface finish of Acrylonitrile-Butadiene-Styrene (ABS) FDM parts by performing chemical treatment in an acetone solution as acetone has very low toxicity, high diffusion and low cost chemical solution. Therefore, the aim of this research is to investigate the influence of chemical treatment to the FDM used part in terms of surface roughness as well as the strength. In this project, ten specimens of standard ASTM D638 dogbone specimens have been fabricated using MOJO 3D printer. Five specimens from the dogbone were tested for surface roughness and tensile testing while another five were immersed in the chemical solution before the same testing. Based on results, the surface roughness of chemically treated dogbone has dramatically improved, compared to untreated dogbone with 97.2% of improvement. However, in term of strength, the tensile strength of dogbone is reduced 42.58% due to the rearrange of material properties and chemical effects to the joining of the filaments. In conclusion, chemical treatment is an economical and sustainable approach to enhance the surface quality of AM parts.

  14. Topological surface states of Bi{sub 2}Te{sub 2}Se are robust against surface chemical modification

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Conor R.; Sahasrabudhe, Girija; Kushwaha, Satya Kumar; Cava, Robert J.; Schwartz, Jeffrey [Department of Chemistry, Princeton University, Princeton, NJ (United States); Xiong, Jun [Department of Physics, Princeton University, Princeton, NJ (United States)

    2014-12-01

    The robustness of the Dirac-like electronic states on the surfaces of topological insulators (TIs) during materials process-ing is a prerequisite for their eventual device application. Here, the (001) cleavage surfaces of crystals of the topological insulator Bi{sub 2}Te{sub 2}Se (BTS) were subjected to several surface chemical modification procedures that are common for electronic materials. Through measurement of Shubnikov-de Hass (SdH) oscillations, which are the most sensitive measure of their quality, the surface states of the treated surfaces were compared to those of pristine BTS that had been exposed to ambient conditions. In each case - surface oxidation, deposition of thin layers of Ti or Zr oxides, or chemical modification of the surface oxides - the robustness of the topological surface electronic states was demonstrated by noting only very small changes in the frequency and amplitude of the SdH oscillations. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  15. Exploring the chemical enhancement for surface-enhanced Raman scattering with Au bowtie nanoantennas

    International Nuclear Information System (INIS)

    Fromm, David P.; Sundaramurthy, Arvind; Kinkhabwala, Anika; Schuck, P. James; Kino, Gordon S.; Moerner, W.E.

    2006-01-01

    Single metallic bowtie nanoantennas provide a controllable environment for surface-enhanced Raman scattering (SERS) of adsorbed molecules. Bowties have experimentally measured electromagnetic enhancements, enabling estimation of chemical enhancement for both the bulk and the few-molecule regime. Strong fluctuations of selected Raman lines imply that a small number of p-mercaptoaniline molecules on a single bowtie show chemical enhancement >10 7 , much larger than previously believed, likely due to charge transfer between the Au surface and the molecule. This chemical sensitivity of SERS has significant implications for ultra-sensitive detection of single molecules

  16. Chemical Modification of Semiconductor Surfaces for Molecular Electronics.

    Science.gov (United States)

    Vilan, Ayelet; Cahen, David

    2017-03-08

    Inserting molecular monolayers within metal/semiconductor interfaces provides one of the most powerful expressions of how minute chemical modifications can affect electronic devices. This topic also has direct importance for technology as it can help improve the efficiency of a variety of electronic devices such as solar cells, LEDs, sensors, and possible future bioelectronic ones. The review covers the main aspects of using chemistry to control the various aspects of interface electrostatics, such as passivation of interface states and alignment of energy levels by intrinsic molecular polarization, as well as charge rearrangement with the adjacent metal and semiconducting contacts. One of the greatest merits of molecular monolayers is their capability to form excellent thin dielectrics, yielding rich and unique current-voltage characteristics for transport across metal/molecular monolayer/semiconductor interfaces. We explain the interplay between the monolayer as tunneling barrier on the one hand, and the electrostatic barrier within the semiconductor, due to its space-charge region, on the other hand, as well as how different monolayer chemistries control each of these barriers. Practical tools to experimentally identify these two barriers and distinguish between them are given, followed by a short look to the future. This review is accompanied by another one, concerning the formation of large-area molecular junctions and charge transport that is dominated solely by molecules.

  17. Chemical changes in titanate surfaces induced by Ar+ ion bombardment

    International Nuclear Information System (INIS)

    Gonzalez-Elipe, A.R.; Fernandez, A.; Espinos, J.P.; Munuera, G.; Sanz, J.M.

    1992-01-01

    The reduction effects and compositional changes induced by 3.5 keV Ar + bombardment of several titanates (i.e. SrTiO 3 , Al 2 TiO 5 and NiTiO 3 ) have been quantitatively investigated by XPS. In all the samples studied here the original Ti 4+ species were reduced to lower oxidation states (i.e. Ti 3+ and Ti 2+ ), although to a lesser extent than in pure TiO 2 . On the contrary, whereas Sr 2+ and Al 3+ seem to remain unaffected by Ar + bombardment, in agreement with the behaviour of the respective oxides (i.e. SrO and Al 2 O 3 ), Ni 2+ appears more easily reducible to Ni o in NiTiO 3 than in NiO. In addition, other specific differences were observed between the titanates, which reveal the existence of interesting chemical effects related to the presence of the different counter-ions in the titanates. In the case of Al 2 TiO 5 , its Ar + -induced decomposition to form TiO 2 + Al 2 O 3 could be followed by XPS. (Author)

  18. Surface characteristics of bioactive Ti fabricated by chemical treatment for cartilaginous-integration.

    Science.gov (United States)

    Miyajima, Hiroyuki; Ozer, Fusun; Imazato, Satoshi; Mante, Francis K

    2017-09-01

    Artificial hip joints are generally expected to fail due to wear after approximately 15years and then have to be replaced by revision surgery. If articular cartilage can be integrated onto the articular surfaces of artificial joints in the same way as osseo-integration of titanium dental implants, the wear of joint implants may be reduced or prevented. However, very few studies have focused on the relationship between Ti surface and cartilage. To explore the possibility of cartilaginous-integration, we fabricated chemically treated Ti surfaces with H 2 O 2 /HCl, collagen type II and SBF, respectively. Then, we evaluated surface characteristics of the prepared Ti samples and assessed the cartilage formation by culturing chondrocytes on the Ti samples. When oxidized Ti was immersed in SBF for 7days, apatite was formed on the Ti surface. The surface characteristics of Ti indicated that the wettability was increased by all chemical treatments compared to untreated Ti, and that H 2 O 2 /HCl treated surface had significantly higher roughness compared to the other three groups. Chondrocytes produced significantly more cartilage matrix on all chemically treated Ti surfaces compared to untreated Ti. Thus, to realize cartilaginous-integration and to prevent wear of the implants in joints, application of bioactive Ti formed by chemical treatment would be a promising and effective strategy to improve durability of joint replacement. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Surface Nano Structures Manufacture Using Batch Chemical Processing Methods for Tooling Applications

    DEFF Research Database (Denmark)

    Tosello, Guido; Calaon, Matteo; Gavillet, J.

    2011-01-01

    The patterning of large surface areas with nano structures by using chemical batch processes to avoid using highenergy intensive nano machining processes was investigated. The capability of different surface treatment methods of creating micro and nano structured adaptable mould inserts for subse...

  20. Comparison of waxy and normal potato starch remaining granules after chemical surface gelatinization: Pasting behavior and surface morphology

    NARCIS (Netherlands)

    Huang, J.; Chen Zenghong,; Xu, Yalun; Li, Hongliang; Liu, Shuxing; Yang, Daqing; Schols, H.A.

    2014-01-01

    o understand the contribution of granule inner portion to the pasting property of starch, waxy potato starch and two normal potato starches and their acetylated starch samples were subjected to chemical surface gelatinization by 3.8 mol/L CaCl2 to obtain remaining granules. Native and acetylated,

  1. Relevance of leaf surface contamination for assessing chemical composition of bromeliads in a restinga forest

    Energy Technology Data Exchange (ETDEWEB)

    Elias, C; Fernandes, E A.N.; Franca, E J; Bacchi, M A; Tagliaferro, F S [Centro de Energia Nuclear na Agricultura, Universidade de Sao Paulo, Piracicaba, SP (Brazil)

    2008-11-15

    Resuspended soil and other airborne particles adhered to the leaf surface affect the chemical composition of the plant. A well-defined cleaning procedure is necessary to avoid this problem, providing a correct assessment of the inherent chemical composition of bromeliads. To evaluate the influence of a washing procedure, INAA was applied for determining chemical elements in the leaves of bromeliads from Vriesea carinata species, both non-washed and washed with Alconox, EDTA and bi-distilled water. Br, Ce, Hg, La, Sc, Se, Sm and Th showed higher mass fractions in nonwashed leaves. The washing procedure removed the exogenous material without leaching chemical elements from inside the tissues. (author)

  2. Relevance of leaf surface contamination for assessing chemical composition of bromeliads in a restinga forest

    International Nuclear Information System (INIS)

    Elias, C.; Fernandes, E.A.N.; Franca, E.J.; Bacchi, M.A.; Tagliaferro, F.S.

    2008-01-01

    Resuspended soil and other airborne particles adhered to the leaf surface affect the chemical composition of the plant. A well-defined cleaning procedure is necessary to avoid this problem, providing a correct assessment of the inherent chemical composition of bromeliads. To evaluate the influence of a washing procedure, INAA was applied for determining chemical elements in the leaves of bromeliads from Vriesea carinata species, both non-washed and washed with Alconox, EDTA and bi-distilled water. Br, Ce, Hg, La, Sc, Se, Sm and Th showed higher mass fractions in nonwashed leaves. The washing procedure removed the exogenous material without leaching chemical elements from inside the tissues. (author)

  3. The mineralogic evolution of the Martian surface through time: Implications from chemical reaction path modeling studies

    Science.gov (United States)

    Plumlee, G. S.; Ridley, W. I.; Debraal, J. D.; Reed, M. H.

    1993-01-01

    Chemical reaction path calculations were used to model the minerals that might have formed at or near the Martian surface as a result of volcano or meteorite impact driven hydrothermal systems; weathering at the Martian surface during an early warm, wet climate; and near-zero or sub-zero C brine-regolith reactions in the current cold climate. Although the chemical reaction path calculations carried out do not define the exact mineralogical evolution of the Martian surface over time, they do place valuable geochemical constraints on the types of minerals that formed from an aqueous phase under various surficial and geochemically complex conditions.

  4. Analyzing relationships between surface perturbations and local chemical reactivity of metal sites: Alkali promotion of O2 dissociation on Ag(111)

    Science.gov (United States)

    Xin, Hongliang; Linic, Suljo

    2016-06-01

    Many commercial heterogeneous catalysts are complex structures that contain metal active sites promoted by multiple additives. Developing fundamental understanding about the impact of these perturbations on the local surface reactivity is crucial for catalyst development and optimization. In this contribution, we develop a general framework for identifying underlying mechanisms that control the changes in the surface reactivity of a metal site (more specifically the adsorbate-surface interactions) upon a perturbation in the local environment. This framework allows us to interpret fairly complex interactions on metal surfaces in terms of specific, physically transparent contributions that can be evaluated independently of each other. We use Cs-promoted dissociation of O2 as an example to illustrate our approach. We concluded that the Cs adsorbate affects the outcome of the chemical reaction through a strong alkali-induced electric field interacting with the static dipole moment of the O2/Ag(111) system.

  5. A coupling alternative to reactive transport simulations for long-term prediction of chemical reactions in heterogeneous CO2 storage systems

    Directory of Open Access Journals (Sweden)

    M. De Lucia

    2015-02-01

    Full Text Available Fully coupled, multi-phase reactive transport simulations of CO2 storage systems can be approximated by a simplified one-way coupling of hydrodynamics and reactive chemistry. The main characteristics of such systems, and hypotheses underlying the proposed alternative coupling, are (i that the presence of CO2 is the only driving force for chemical reactions and (ii that its migration in the reservoir is only marginally affected by immobilisation due to chemical reactions. In the simplified coupling, the exposure time to CO2 of each element of the hydrodynamic grid is estimated by non-reactive simulations and the reaction path of one single batch geochemical model is applied to each grid element during its exposure time. In heterogeneous settings, analytical scaling relationships provide the dependency of velocity and amount of reactions to porosity and gas saturation. The analysis of TOUGHREACT fully coupled reactive transport simulations of CO2 injection in saline aquifer, inspired to the Ketzin pilot site (Germany, both in homogeneous and heterogeneous settings, confirms that the reaction paths predicted by fully coupled simulations in every element of the grid show a high degree of self-similarity. A threshold value for the minimum concentration of dissolved CO2 considered chemically active is shown to mitigate the effects of the discrepancy between dissolved CO2 migration in non-reactive and fully coupled simulations. In real life, the optimal threshold value is unknown and has to be estimated, e.g. by means of 1-D or 2-D simulations, resulting in an uncertainty ultimately due to the process de-coupling. However, such uncertainty is more than acceptable given that the alternative coupling enables using grids of the order of millions of elements, profiting from much better description of heterogeneous reservoirs at a fraction of the calculation time of fully coupled models.

  6. Linking potential heat source and sink to urban heat island: Heterogeneous effects of landscape pattern on land surface temperature.

    Science.gov (United States)

    Li, Weifeng; Cao, Qiwen; Lang, Kun; Wu, Jiansheng

    2017-05-15

    Rapid urbanization has significantly contributed to the development of urban heat island (UHI). Regulating landscape composition and configuration would help mitigate the UHI in megacities. Taking Shenzhen, China, as a case study area, we defined heat source and heat sink and identified strong and weak sources as well as strong and weak sinks according to the natural and socioeconomic factors influencing land surface temperature (LST). Thus, the potential thermal contributions of heat source and heat sink patches were differentiated. Then, the heterogeneous effects of landscape pattern on LST were examined by using semiparametric geographically weighted regression (SGWR) models. The results showed that landscape composition has more significant effects on thermal environment than configuration. For a strong source, the percentage of patches has a positive impact on LST. Additionally, when mosaicked with some heat sink, even a small improvement in the degree of dispersion of a strong source helps to alleviate UHI. For a weak source, the percentage and density of patches have positive impacts on LST. For a strong sink, the percentage, density, and degree of aggregation of patches have negative impacts on LST. The effects of edge density and patch shape complexity vary spatially with the fragmentation of a strong sink. Similarly, the impacts of a weak sink are mainly exerted via the characteristics of percent, density, and shape complexity of patches. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    Energy Technology Data Exchange (ETDEWEB)

    Lollobrigida, V. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F. [Istituto Nazionale di Ricerca Metrologica (INRIM), I-10135 Torino (Italy); Borgatti, F. [CNR, Istituto per lo Studio dei Materiali Nanostrutturati (ISMN), I-40129 Bologna (Italy); Torelli, P.; Panaccione, G. [CNR, Istituto Officina dei Materiali (IOM), Lab. TASC, I-34149 Trieste (Italy); Tortora, L. [Laboratorio di Analisi di Superficie, Dipartimento di Matematica e Fisica, Università Roma Tre, I-00146 Rome (Italy); Dipartimento di Ingegneria Meccanica, Università Tor Vergata, I-00133 Rome (Italy); Stefani, G.; Offi, F. [Dipartimento di Scienze, Università Roma Tre, I-00146 Rome (Italy)

    2014-05-28

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  8. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    Science.gov (United States)

    Lollobrigida, V.; Basso, V.; Borgatti, F.; Torelli, P.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Tortora, L.; Stefani, G.; Panaccione, G.; Offi, F.

    2014-05-01

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  9. Chemical, electronic, and magnetic structure of LaFeCoSi alloy: Surface and bulk properties

    International Nuclear Information System (INIS)

    Lollobrigida, V.; Basso, V.; Kuepferling, M.; Coïsson, M.; Olivetti, E. S.; Celegato, F.; Borgatti, F.; Torelli, P.; Panaccione, G.; Tortora, L.; Stefani, G.; Offi, F.

    2014-01-01

    We investigate the chemical, electronic, and magnetic structure of the magnetocaloric LaFeCoSi compound with bulk and surface sensitive techniques. We put in evidence that the surface retains a soft ferromagnetic behavior at temperatures higher than the Curie temperature of the bulk due to the presence of Fe clusters at the surface only. This peculiar magnetic surface effect is attributed to the exchange interaction between the ferromagnetic Fe clusters located at the surface and the bulk magnetocaloric alloy, and it is used here to monitor the magnetic properties of the alloy itself.

  10. Experimental study on soluble chemical transfer to surface runoff from soil.

    Science.gov (United States)

    Tong, Juxiu; Yang, Jinzhong; Hu, Bill X; Sun, Huaiwei

    2016-10-01

    Prevention of chemical transfer from soil to surface runoff, under condition of irrigation and subsurface drainage, would improve surface water quality. In this paper, a series of laboratory experiments were conducted to assess the effects of various soil and hydraulic factors on chemical transfer from soil to surface runoff. The factors include maximum depth of ponding water on soil surface, initial volumetric water content of soil, depth of soil with low porosity, type or texture of soil and condition of drainage. In the experiments, two soils, sand and loam, mixed with different quantities of soluble KCl were filled in the sandboxes and prepared under different initial saturated conditions. Simulated rainfall induced surface runoff are operated in the soils, and various ponding water depths on soil surface are simulated. Flow rates and KCl concentration of surface runoff are measured during the experiments. The following conclusions are made from the study results: (1) KCl concentration in surface runoff water would decrease with the increase of the maximum depth of ponding water on soil surface; (2) KCl concentration in surface runoff water would increase with the increase of initial volumetric water content in the soil; (3) smaller depth of soil with less porosity or deeper depth of soil with larger porosity leads to less KCl transfer to surface runoff; (4) the soil with finer texture, such as loam, could keep more fertilizer in soil, which will result in more KCl concentration in surface runoff; and (5) good subsurface drainage condition will increase the infiltration and drainage rates during rainfall event and will decrease KCl concentration in surface runoff. Therefore, it is necessary to reuse drained fertile water effectively during rainfall, without polluting groundwater. These study results should be considered in agriculture management to reduce soluble chemical transfer from soil to surface runoff for reducing non-point sources pollution.

  11. Concatenation of electrochemical grafting with chemical or electrochemical modification for preparing electrodes with specific surface functionality

    International Nuclear Information System (INIS)

    Verma, Pallavi; Maire, Pascal; Novak, Petr

    2011-01-01

    Surface modified electrodes are used in electro-analysis, electro-catalysis, sensors, biomedical applications, etc. and could also be used in batteries. The properties of modified electrodes are determined by the surface functionality. Therefore, the steps involved in the surface modification of the electrodes to obtain specific functionality are of prime importance. We illustrate here bridging of two routes of surface modifications namely electrochemical grafting, and chemical or electrochemical reduction. First, by electrochemical grafting an organic moiety is covalently immobilized on the surface. Then, either by chemical or by electrochemical route the terminal functional group of the grafted moiety is transformed. Using the former route we prepared lithium alkyl carbonate (-O(CH 2 ) 3 OCO 2 Li) modified carbon with potential applications in batteries, and employing the latter we prepared phenyl hydroxyl amine (-C 6 H 4 NHOH) modified carbon which may find application in biosensors. Benzyl alcohol (-C 6 H 4 CH 2 OH) modified carbon was prepared by both chemical as well as electrochemical route. We report combinations of conjugating the two steps of surface modifications and show how the optimal route of terminal functional group modification depends on the chemical nature of the moiety attached to the surface in the electrochemical grafting step.

  12. Concatenation of electrochemical grafting with chemical or electrochemical modification for preparing electrodes with specific surface functionality

    Energy Technology Data Exchange (ETDEWEB)

    Verma, Pallavi; Maire, Pascal [Paul Scherrer Institut, Electrochemistry Laboratory, Section Electrochemical Energy Storage, CH-5232 Villigen PSI (Switzerland); Novak, Petr, E-mail: petr.novak@psi.c [Paul Scherrer Institut, Electrochemistry Laboratory, Section Electrochemical Energy Storage, CH-5232 Villigen PSI (Switzerland)

    2011-04-01

    Surface modified electrodes are used in electro-analysis, electro-catalysis, sensors, biomedical applications, etc. and could also be used in batteries. The properties of modified electrodes are determined by the surface functionality. Therefore, the steps involved in the surface modification of the electrodes to obtain specific functionality are of prime importance. We illustrate here bridging of two routes of surface modifications namely electrochemical grafting, and chemical or electrochemical reduction. First, by electrochemical grafting an organic moiety is covalently immobilized on the surface. Then, either by chemical or by electrochemical route the terminal functional group of the grafted moiety is transformed. Using the former route we prepared lithium alkyl carbonate (-O(CH{sub 2}){sub 3}OCO{sub 2}Li) modified carbon with potential applications in batteries, and employing the latter we prepared phenyl hydroxyl amine (-C{sub 6}H{sub 4}NHOH) modified carbon which may find application in biosensors. Benzyl alcohol (-C{sub 6}H{sub 4}CH{sub 2}OH) modified carbon was prepared by both chemical as well as electrochemical route. We report combinations of conjugating the two steps of surface modifications and show how the optimal route of terminal functional group modification depends on the chemical nature of the moiety attached to the surface in the electrochemical grafting step.

  13. Surface chemical reactions induced by molecules electronically-excited in the gas

    DEFF Research Database (Denmark)

    Petrunin, Victor V.

    2011-01-01

    and alignment are taking place, guiding all the molecules towards the intersections with the ground state PES, where transitions to the ground state PES will occur with minimum energy dissipation. The accumulated kinetic energy may be used to overcome the chemical reaction barrier. While recombination chemical...... be readily produced. Products of chemical adsorption and/or chemical reactions induced within adsorbates are aggregated on the surface and observed by light scattering. We will demonstrate how pressure and spectral dependencies of the chemical outcomes, polarization of the light and interference of two laser...... beams inducing the reaction can be used to distinguish the new process we try to investigate from chemical reactions induced by photoexcitation within adsorbed molecules and/or gas phase photolysis....

  14. The influence of vertical sorbed phase transport on the fate of organic chemicals in surface soils.

    Science.gov (United States)

    McLachlan, Michael S; Czub, Gertje; Wania, Frank

    2002-11-15

    Gaseous exchange between surface soil and the atmosphere is an important process in the environmental fate of many chemicals. It was hypothesized that this process is influenced by vertical transport of chemicals sorbed to soil particles. Vertical sorbed phase transport in surface soils occurs by many processes such as bioturbation, cryoturbation, and erosion into cracks formed by soil drying. The solution of the advection/diffusion equation proposed by Jury et al. to describe organic chemical fate in a uniformly contaminated surface soil was modified to include vertical sorbed phase transport This process was modeled using a sorbed phase diffusion coefficient, the value of which was derived from soil carbon mass balances in the literature. The effective diffusivity of the chemical in a typical soil was greater in the modified model than in the model without sorbed phase transport for compounds with log K(OW) > 2 and log K(OA) > 6. Within this chemical partitioning space, the rate of volatilization from the surface soil was larger in the modified model than in the original model by up to a factor of 65. The volatilization rate was insensitive to the value of the sorbed phase diffusion coefficient throughout much of this chemical partitioning space, indicating that the surface soil layer was essentially well-mixed and that the mass transfer coefficient was determined by diffusion through the atmospheric boundary layer only. When this process was included in a non-steady-state regional multimedia chemical fate model running with a generic emissions scenario to air, the predicted soil concentrations increased by upto a factor of 25,whilethe air concentrations decreased by as much as a factor of approximately 3. Vertical sorbed phase transport in the soil thus has a major impact on predicted air and soil concentrations, the state of equilibrium, and the direction and magnitude of the chemical flux between air and soil. It is a key process influencing the environmental

  15. Surface roughness of polyvinyl siloxane impression materials following chemical disinfection, autoclave and microwave sterilization.

    Science.gov (United States)

    Al Kheraif, Abdulaziz Abdullah

    2013-05-01

    Autoclave sterilization and microwave sterilization has been suggested as the effective methods for the disinfection of elastomeric impressions, but subjecting elastomeric impressions to extreme temperature may have adverse effects on critical properties of the elastomers. To evaluate the effect of chemical disinfection as well as autoclave and microwave sterilization on the surface roughness of elastomeric impression materials. The surface roughness of five commercially available polyvinyl siloxane impression materials (Coltene President, Affinis Perfect impression, Aquasil, 3M ESPE Express and GC Exafast) were evaluated after subjecting them to chemical disinfection, autoclaving and microwave sterilization using a Talysurf Intra 50 instrument. Twenty specimens from each material were fabricated and divided into four equal groups, three experimental and one control (n=25). The differences in the mean surface roughness between the treatment groups were recorded and statistically analyzed. No statistically significant increase in the surface roughness was observed when the specimens were subjected to chemical disinfection and autoclave sterilization, increase in roughness and discoloration was observed in all the materials when specimens were subjected to microwave sterilization. Chemical disinfection did not have a significant effect but, since it is less effective, autoclave sterilization can be considered effective and autoclaving did not show any specimen discoloration as in microwave sterilization. Microwave sterilization may be considered when impressions are used to make diagnostic casts. A significant increase in surface roughness may produce rougher casts, resulting in rougher tissue surfaces for denture and cast restorations. Autoclave sterilization of vinyl polysiloxane elastomeric impressions for 5 minutes at 134°C at 20 psi may be considered an effective method over chemical disinfection and microwave sterilization, because chemical disinfection does

  16. Physically and chemically stable ionic liquid-infused textured surfaces showing excellent dynamic omniphobicity

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, Daniel F.; Urata, Chihiro; Masheder, Benjamin; Dunderdale, Gary J.; Hozumi, Atsushi, E-mail: a.hozumi@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), 2266-98, Anagahora, Shimo-Shidami, Moriyama-ku, Nagoya, Aichi 463-8560 (Japan); Yagihashi, Makoto [Nagoya Municipal Industrial Research Institute, Rokuban, Atsuta-ku, Nagoya 456-0058 (Japan)

    2014-05-01

    A fluorinated and hydrophobic ionic liquid (IL), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide, effectively served as an advantageous lubricating liquid for the preparation of physically and chemically stable omniphobic surfaces based on slippery liquid-infused porous surfaces. Here, we used particulate microstructures as supports, prepared by the chemical vapor deposition of 1,3,5,7-tetramethylcyclotetrasiloxane and subsequent surface modification with (3-aminopropyl)triethoxysilane. Confirmed by SEM and contact angle measurements, the resulting IL-infused microtextured surfaces are smooth and not only water but also various low surface tension liquids can easily slide off at low substrate tilt angles of <5°, even after exposure to high temperature, vacuum, and UV irradiation.

  17. Physically and chemically stable ionic liquid-infused textured surfaces showing excellent dynamic omniphobicity

    Directory of Open Access Journals (Sweden)

    Daniel F. Miranda

    2014-05-01

    Full Text Available A fluorinated and hydrophobic ionic liquid (IL, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl imide, effectively served as an advantageous lubricating liquid for the preparation of physically and chemically stable omniphobic surfaces based on slippery liquid-infused porous surfaces. Here, we used particulate microstructures as supports, prepared by the chemical vapor deposition of 1,3,5,7-tetramethylcyclotetrasiloxane and subsequent surface modification with (3-aminopropyltriethoxysilane. Confirmed by SEM and contact angle measurements, the resulting IL-infused microtextured surfaces are smooth and not only water but also various low surface tension liquids can easily slide off at low substrate tilt angles of <5°, even after exposure to high temperature, vacuum, and UV irradiation.

  18. Specifics of adsorption and chemical processes on the surface of gamma-irradiated vanadium dioxide

    International Nuclear Information System (INIS)

    Kaurkovskaya, V.N.; Dzyubenko, L.S.; Doroshenko, V.N.; Chujko, A.A.; Shakhov, A.P.

    2006-01-01

    Effect of γ-irradiation on electrophysical properties and processes of thermal desorption of water from the surface of vanadium oxides V 2 O 3 -VO 2-δ -VO 2+δ -V 2 O 5 was investigated by derivatography and electric conductivity. Content of adsorbed water at the surface and phase composition of the surface was demonstrated to change under the action of low radiation doses. Surface electric conductivity of the irradiated samples VO 2-δ in the process of chemical reactions of adsorbed following irradiation benzoic acid and ethanol was established to be much above than in irradiated-free ones. It is presumed that metal-semiconductor phase transition at the surface of VO 2-δ during chemical reaction is intensified by irradiation [ru

  19. Impacts of physical and chemical aquifer heterogeneity on basin-scale solute transport: Vulnerability of deep groundwater to arsenic contamination in Bangladesh

    Science.gov (United States)

    Michael, Holly A.; Khan, Mahfuzur R.

    2016-12-01

    Aquifer heterogeneity presents a primary challenge in predicting the movement of solutes in groundwater systems. The problem is particularly difficult on very large scales, across which permeability, chemical properties, and pumping rates may vary by many orders of magnitude and data are often sparse. An example is the fluvio-deltaic aquifer system of Bangladesh, where naturally-occurring arsenic (As) exists over tens of thousands of square kilometers in shallow groundwater. Millions of people in As-affected regions rely on deep (≥150 m) groundwater as a safe source of drinking water. The sustainability of this resource has been evaluated with models using effective properties appropriate for a basin-scale contamination problem, but the extent to which preferential flow affects the timescale of downward migration of As-contaminated shallow groundwater is unknown. Here we embed detailed, heterogeneous representations of hydraulic conductivity (K), pumping rates, and sorptive properties (Kd) within a basin-scale numerical groundwater flow and solute transport model to evaluate their effects on vulnerability and deviations from simulations with homogeneous representations in two areas with different flow systems. Advective particle tracking shows that heterogeneity in K does not affect average travel times from shallow zones to 150 m depth, but the travel times of the fastest 10% of particles decreases by a factor of ∼2. Pumping distributions do not strongly affect travel times if irrigation remains shallow, but increases in the deep pumping rate substantially reduce travel times. Simulation of advective-dispersive transport with sorption shows that deep groundwater is protected from contamination over a sustainable timeframe (>1000 y) if the spatial distribution of Kd is uniform. However, if only low-K sediments sorb As, 30% of the aquifer is not protected. Results indicate that sustainable management strategies in the Bengal Basin should consider impacts of both

  20. Collisions of polyatomic ions with surfaces: incident energy partitioning and chemical reactions

    International Nuclear Information System (INIS)

    Zabka, J.; Roithova, J.; Dolejsek, Z.; Herman, Z.

    2002-01-01

    Collision of polyatomic ions with surfaces were investigated in ion-surface scattering experiments to obtain more information on energy partitioning in ion-surface collision and on chemical reactions at surfaces. Mass spectra, translation energy and angular distributions of product ions were measured in dependence on the incident energy and the incident angle of polyatomic projectiles. From these data distributions of energy fractions resulting in internal excitation of the projectile, translation energy of the product ions, and energy absorbed by the surface were determined. The surface investigated were a standard stainless steel surface, covered by hydrocarbons, carbon surfaces at room and elevated temperatures, and several surfaces covered by a self-assembled monolayers (C 12 -hydrocarbon SAM, C 11 -perfluorohydrocarbon SAM, and C 11 hydrocarbon with terminal -COOH group SAM). The main processes observed at collision energies of 10 - 50 eV were: neutralization of the ions at surfaces, inelastic scattering and dissociations of the projectile ions, quasi elastic scattering of the projectile ions, and chemical reactions with the surface material (usually hydrogen-atom transfer reactions). The ion survival factor was estimated to be a few percent for even-electron ions (like protonated ethanol ion, C 2 H 5 O + , CD 5 + ) and about 10 - 10 2 times lower for radical ions (like ethanol and benzene molecular ions, CD 4 + ). In the polyatomic ion -surface energy transfer experiments, the ethanol molecular ion was used as a well-characterized projectile ion. The results with most of the surfaces studied showed in the collision energy range of 13 - 32 eV that most collisions were strongly inelastic with about 6 - 8 % of the incident projectile energy transformed into internal excitation of the projectile (independent of the incident angle) and led partially to its further dissociation in a unimolecular way after the interaction with the surface. The incident energy

  1. Chemical grafting of the superhydrophobic surface on copper with hierarchical microstructure and its formation mechanism

    Science.gov (United States)

    Cai, Junyan; Wang, Shuhui; Zhang, Junhong; Liu, Yang; Hang, Tao; Ling, Huiqin; Li, Ming

    2018-04-01

    In this paper, a superhydrophobic surface with hierarchical structure was fabricated by chemical deposition of Cu micro-cones array, followed by chemical grafting of poly(methyl methacrylate) (PMMA). Water contact measurements give contact angle of 131.0° on these surfaces after PMMA grafting of 2 min and 165.2° after 6 min. The superhydrophobicity results from two factors: (1) the hierarchical structure due to Cu micro-cones array and the second level structure caused by intergranular corrosion during grafting of PMMA (confirmed by the scanning electron microscopy) and (2) the chemical modification of a low surface energy PMMA layer (confirmed by Fourier transform infrared spectrometer and X-ray photoelectron spectroscopy). In the chemical grafting process, the spontaneous reduction of nitrobenzene diazonium (NBD) tetrafluoroborate not only causes the corrosion of the Cu surface that leads to a hierarchical structure, but also initiates the polymerization of methyl methacrylate (MMA) monomers and thus the low free energy surface. Such a robust approach to fabricate the hierarchical structured surface with superhydrophobicity is expected to have practical application in anti-corrosion industry.

  2. Wet-chemical passivation of InAs: toward surfaces with high stability and low toxicity.

    Science.gov (United States)

    Jewett, Scott A; Ivanisevic, Albena

    2012-09-18

    In a variety of applications where the electronic and optical characteristics of traditional, siliconbased materials are inadequate, recently researchers have employed semiconductors made from combinations of group III and V elements such as InAs. InAs has a narrow band gap and very high electron mobility in the near-surface region, which makes it an attractive material for high performance transistors, optical applications, and chemical sensing. However, silicon-based materials remain the top semiconductors of choice for biological applications, in part because of their relatively low toxicity. In contrast to silicon, InAs forms an unstable oxide layer under ambient conditions, which can corrode over time and leach toxic indium and arsenic components. To make InAs more attractive for biological applications, researchers have investigated passivation, chemical and electronic stabilization, of the surface by adlayer adsorption. Because of the simplicity, low cost, and flexibility in the type of passivating molecule used, many researchers are currently exploring wet-chemical methods of passivation. This Account summarizes much of the recent work on the chemical passivation of InAs with a particular focus on the chemical stability of the surface and prevention of oxide regrowth. We review the various methods of surface preparation and discuss how crystal orientation affects the chemical properties of the surface. The correct etching of InAs is critical as researchers prepare the surface for subsequent adlayer adsorption. HCl etchants combined with a postetch annealing step allow the tuning of the chemical properties in the near-surface region to either arsenic- or indium-rich environments. Bromine etchants create indium-rich surfaces and do not require annealing after etching; however, bromine etchants are harsh and potentially destructive to the surface. The simultaneous use of NH(4)OH etchants with passivating molecules prevents contact with ambient air that can

  3. Chemical treatment of the intra-canal dentin surface: a new approach to modify dentin hydrophobicity

    Directory of Open Access Journals (Sweden)

    Cesar GAITAN-FONSECA

    2013-01-01

    Full Text Available Objective This study evaluated the hydrophobicity of dentin surfaces that were modified through chemical silanization with octadecyltrichlorosilane (OTS. Material and Methods An in vitro experimental study was performed using 40 human permanent incisors that were divided into the following two groups: non-silanized and silanized. The specimens were pretreated and chemically modified with OTS. After the chemical modification, the dentin hydrophobicity was examined using a water contact angle measurement (WCA. The effectiveness of the modification of hydrophobicity was verified by the fluid permeability test (FPT. Results and Conclusions Statistically significant differences were found in the values of WCA and FPT between the two groups. After silanization, the hydrophobic intraradicular dentin surface exhibited in vitro properties that limit fluid penetration into the sealed root canal. This chemical treatment is a new approach for improving the sealing of the root canal system.

  4. Concurrent Increases and Decreases in Local Stability and Conformational Heterogeneity in Cu, Zn Superoxide Dismutase Variants Revealed by Temperature-Dependence of Amide Chemical Shifts.

    Science.gov (United States)

    Doyle, Colleen M; Rumfeldt, Jessica A; Broom, Helen R; Sekhar, Ashok; Kay, Lewis E; Meiering, Elizabeth M

    2016-03-08

    The chemical shifts of backbone amide protons in proteins are sensitive reporters of local structural stability and conformational heterogeneity, which can be determined from their readily measured linear and nonlinear temperature-dependences, respectively. Here we report analyses of amide proton temperature-dependences for native dimeric Cu, Zn superoxide dismutase (holo pWT SOD1) and structurally diverse mutant SOD1s associated with amyotrophic lateral sclerosis (ALS). Holo pWT SOD1 loses structure with temperature first at its periphery and, while having extremely high global stability, nevertheless exhibits extensive conformational heterogeneity, with ∼1 in 5 residues showing evidence for population of low energy alternative states. The holo G93A and E100G ALS mutants have moderately decreased global stability, whereas V148I is slightly stabilized. Comparison of the holo mutants as well as the marginally stable immature monomeric unmetalated and disulfide-reduced (apo(2SH)) pWT with holo pWT shows that changes in the local structural stability of individual amides vary greatly, with average changes corresponding to differences in global protein stability measured by differential scanning calorimetry. Mutants also exhibit altered conformational heterogeneity compared to pWT. Strikingly, substantial increases as well as decreases in local stability and conformational heterogeneity occur, in particular upon maturation and for G93A. Thus, the temperature-dependence of amide shifts for SOD1 variants is a rich source of information on the location and extent of perturbation of structure upon covalent changes and ligand binding. The implications for potential mechanisms of toxic misfolding of SOD1 in disease and for general aspects of protein energetics, including entropy-enthalpy compensation, are discussed.

  5. Electrochemical heterogeneity and chemical stability of anodic oxide films of barrier type on certain valve metals and alloys

    International Nuclear Information System (INIS)

    Isaev, N.I.; Yakovlev, V.B.

    1986-01-01

    Direct current and alternating current electrochemical methods are used to study kinetic regularities and mechanism of titanium films dissolution in NaOH and H 2 SO 4 concentrated solutions. Piece-line dependence of oxidized electrode specific reverse capacitance on the time of C c -1 =α i -β i τ type is stated. Effective activation energy and dissolution reaction apparent order are determined by agressive ions. For amorphous alloys films interrelation of structure heterogeneity, film composition and resistance to pitting corrosion is shown. Decrease of oxide protecting properties is due to crystallization of originally amorphous films

  6. Identifying potential surface water sampling sites for emerging chemical pollutants in Gauteng Province, South Africa

    OpenAIRE

    Petersen, F; Dabrowski, JM; Forbes, PBC

    2017-01-01

    Emerging chemical pollutants (ECPs) are defined as new chemicals which do not have a regulatory status, but which may have an adverse effect on human health and the environment. The occurrence and concentrations of ECPs in South African water bodies are largely unknown, so monitoring is required in order to determine the potential threat that these ECPs may pose. Relevant surface water sampling sites in the Gauteng Province of South Africa were identified utilising a geographic information sy...

  7. Chemical and Enzymatic Strategies for Bacterial and Mammalian Cell Surface Engineering.

    Science.gov (United States)

    Bi, Xiaobao; Yin, Juan; Chen Guanbang, Ashley; Liu, Chuan-Fa

    2018-06-07

    The cell surface serves important functions such as the regulation of cell-cell and cell-environment interactions. The understanding and manipulation of the cell surface is important for a wide range of fundamental studies of cellular behavior and for biotechnological and medical applications. With the rapid advance of biology, chemistry and materials science, many strategies have been developed for the functionalization of bacterial and mammalian cell surfaces. Here, we review the recent development of chemical and enzymatic approaches to cell surface engineering with particular emphasis on discussing the advantages and limitations of each of these strategies. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Single DNA molecules as probes for interrogating silica surfaces after various chemical treatments

    International Nuclear Information System (INIS)

    Liu Xia; Wu Zhan; Nie Huagui; Liu Ziling; He Yan; Yeung, E.S.

    2007-01-01

    We examined the adsorption of single YOYO-1-labeled λ-DNA molecules at glass surfaces after treatment with various chemical cleaning methods by using total internal reflection fluorescence microscopy (TIRFM). The characteristics of these surfaces were further assessed using contact angle (CA) measurements and atomic force microscopy (AFM). By recording the real-time dynamic motion of DNA molecules at the liquid/solid interface, subtle differences in adsorption affinities were revealed. The results indicate that the driving force for adsorption of DNA molecules on glass surfaces is mainly hydrophobic interaction. We also found that surface topography plays a role in the adsorption dynamics

  9. Controlling the surface photovoltage on WSe2 by surface chemical modification

    Science.gov (United States)

    Liu, Ro-Ya; Ozawa, Kenichi; Terashima, Naoya; Natsui, Yuto; Feng, Baojie; Ito, Suguru; Chen, Wei-Chuan; Cheng, Cheng-Maw; Yamamoto, Susumu; Kato, Hiroo; Chiang, Tai-Chang; Matsuda, Iwao

    2018-05-01

    The surface photovoltage (SPV) effect is key to the development of opto-electronic devices such as solar-cells and photo-detectors. For the prototypical transition metal dichalcogenide WSe2, core level and valence band photoemission measurements show that the surface band bending of pristine cleaved surfaces can be readily modified by adsorption with K (an electron donor) or C60 (an electron acceptor). Time-resolved pump-probe photoemission measurements reveal that the SPV for pristine cleaved surfaces is enhanced by K adsorption, but suppressed by C60 adsorption, and yet the SPV relaxation time is substantially shortened in both cases. Evidently, adsorbate-induced electronic states act as electron-hole recombination centers that shorten the carrier lifetime.

  10. Improvement of Surface Properties of CP-Titanium by Thermo-Chemical Treatment (TCT) Process

    International Nuclear Information System (INIS)

    Jeong, Hyeon-Gyeong; Hur, Bo-Young; Lee, Dong-Geun; Lee, Yong-Tai; Yaskiv, O.

    2011-01-01

    The thermo-chemical treatment (TCT) process was applied to achieve surface hardening of CP titanium. The following three different surface modification conditions were tested so that the best surface hardening process could be selected:(a) PVD, (b) TCT+PVD, and (c) TCT+Aging+PVD. These specimens were tested and analyzed in terms of surface roughness, wear, friction coefficient, and the gradient of hardening from the surface of the matrix. The three test conditions were all beneficial to improve the surface hardness of CP titanium. Moreover, the TCT treated specimens, that is, (b) and (c), showed significantly improved surface hardness and low friction coefficients through the thickness up to 100um. This is due to the functionally gradient hardened surface improvement by the diffused interstitial elements. The hardened surface also showed improvement in bonding between the PVD and TCT surface, and this leads to improvement in wear resistance. However, TCT after aging treatment did not show much improvement in surface properties compared to TCT only. For the best surface hardening on CP titanium, TCT+PVD has advantages in surface durability and economics.

  11. Chemical profiles of body surfaces and nests from six Bornean stingless bee species.

    Science.gov (United States)

    Leonhardt, Sara Diana; Blüthgen, Nico; Schmitt, Thomas

    2011-01-01

    Stingless bees (Apidae: Meliponini) are the most diverse group of Apid bees and represent common pollinators in tropical ecosystems. Like honeybees they live in large eusocial colonies and rely on complex chemical recognition and communication systems. In contrast to honeybees, their ecology and especially their chemical ecology have received only little attention, particularly in the Old World. We previously have analyzed the chemical profiles of six paleotropical stingless bee species from Borneo and revealed the presence of species-specific cuticular terpenes- an environmentally derived compound class so far unique among social insects. Here, we compared the bees' surface profiles to the chemistry of their nest material. Terpenes, alkanes, and alkenes were the dominant compound groups on both body surfaces and nest material. However, bee profiles and nests strongly differed in their chemical composition. Body surfaces thus did not merely mirror nests, rendering a passive compound transfer from nests to bees unlikely. The difference between nests and bees was particularly pronounced when all resin-derived compounds (terpenes) were excluded and only genetically determined compounds were considered. When terpenes were included, bee profiles and nest material still differed, because whole groups of terpenes (e.g., sesquiterpenes) were found in nest material of some species, but missing in their chemical profile, indicating that bees are able to influence the terpene composition both in their nests and on their surfaces.

  12. A procedure to create isoconcentration surfaces in low-chemical-partitioning, high-solute alloys

    International Nuclear Information System (INIS)

    Hornbuckle, B.C.; Kapoor, M.; Thompson, G.B.

    2015-01-01

    A proximity histogram or proxigram is the prevailing technique of calculating 3D composition profiles of a second phase in atom probe tomography. The second phase in the reconstruction is delineated by creating an isoconcentration surface, i.e. the precipitate–matrix interface. The 3D composition profile is then calculated with respect to this user-defined isoconcentration surface. Hence, the selection of the correct isoconcentration surface is critical. In general, the preliminary selection of an isoconcentration value is guided by the visual observation of a chemically partitioned second phase. However, in low-chemical -partitioning systems, such a visual guide is absent. The lack of a priori composition information of the precipitate phase may further confound the issue. This paper presents a methodology of selecting an appropriate elemental species and subsequently obtaining an isoconcentration value to create an accurate isoconcentration surface that will act as the precipitate–matrix interface. We use the H-phase precipitate in the Ni–Ti–Hf shape memory alloy as our case study to illustrate the procedure. - Highlights: • A procedure for creating accurate isoconcentration surface for low-chemical-partitioning, high-solute alloys. • Determine the appropriate element to create the isosconcentration surface. • Subsequently identify the accurate isoconcentration value to create an isoconcentration surface.

  13. Thermovoltage in scanning tunnelling microscopy. Study of heterogeneous metal surfaces on atomic scale; Thermospannung in der Rastertunnelmikroskopie. Untersuchung heterogener Metalloberflaechen auf atomarer Skala

    Energy Technology Data Exchange (ETDEWEB)

    Weyers, B.

    2005-07-01

    In this thesis the thermovoltage has been studied via a tunnel barrier under different aspects. Au(111) has been chosen as substrate. The mean free path of the electrons on the Au(111) surface was determined by a comparison of the standing waves on stage edges with the theoretical prediction. The measurements were performed at different temperatures. Detailed studies were performed on Au(111), Cu(111), and Cu(110) in order to examine the question whether the cause for strong signal on the stage edges lies in the surface state itself or in the band gap. The mani theme of this thesis is the study of a binary metal system, in this case silver on Au(111).

  14. Surface-dependent chemical equilibrium constants and capacitances for bare and 3-cyanopropyldimethylchlorosilane coated silica nanochannels

    DEFF Research Database (Denmark)

    Andersen, Mathias Bækbo; Frey, Jared; Pennathur, Sumita

    2011-01-01

    , and pK+ are constant and independent of surface composition. Our theoretical model consists of three parts: (i) a chemical equilibrium model of the bare or coated wall, (ii) a chemical equilibrium model of the buffered bulk electrolyte, and (iii) a self-consistent Gouy–Chapman–Stern triple-layer model...... of the electrochemical double layer coupling these two equilibrium models. To validate our model, we used both pH-sensitive dye-based capillary filling experiments as well as electro-osmotic current-monitoring measurements. Using our model we predict the dependence of ζ potential, surface charge density, and capillary...

  15. Influences of chemical aging on the surface morphology and crystallization behavior of basaltic glass fibers

    DEFF Research Database (Denmark)

    Lund, Majbritt Deichgræber; Yue, Yuanzheng

    2008-01-01

    The impact of aging in high humidity and water on the surface morphology and crystallization behavior of basaltic glass fibers has been studied using scanning electron microscopy, transmission electron microscopy, calorimetry and X-ray diffraction. The results show that interaction between...... the fibers and the surrounding media (high humidity or water at 70 C) leads to chemical changes strongly affecting the surface morphology. The crystallization peak temperature of the basaltic glass fibers are increased without changing the onset temperature, this may be caused by a chemical depletion...

  16. Control of neuronal network organization by chemical surface functionalization of multi-walled carbon nanotube arrays

    International Nuclear Information System (INIS)

    Liu Jie; Bibari, Olivier; Marchand, Gilles; Benabid, Alim-Louis; Sauter-Starace, Fabien; Appaix, Florence; De Waard, Michel

    2011-01-01

    Carbon nanotube substrates are promising candidates for biological applications and devices. Interfacing of these carbon nanotubes with neurons can be controlled by chemical modifications. In this study, we investigated how chemical surface functionalization of multi-walled carbon nanotube arrays (MWNT-A) influences neuronal adhesion and network organization. Functionalization of MWNT-A dramatically modifies the length of neurite fascicles, cluster inter-connection success rate, and the percentage of neurites that escape from the clusters. We propose that chemical functionalization represents a method of choice for developing applications in which neuronal patterning on MWNT-A substrates is required.

  17. Control of neuronal network organization by chemical surface functionalization of multi-walled carbon nanotube arrays

    Energy Technology Data Exchange (ETDEWEB)

    Liu Jie; Bibari, Olivier; Marchand, Gilles; Benabid, Alim-Louis; Sauter-Starace, Fabien [CEA, LETI-Minatec, 17 Rue des Martyrs, 38054 Grenoble Cedex 9 (France); Appaix, Florence; De Waard, Michel, E-mail: fabien.sauter@cea.fr, E-mail: michel.dewaard@ujf-grenoble.fr [Inserm U836, Grenoble Institute of Neuroscience, Site Sante la Tronche, Batiment Edmond J Safra, Chemin Fortune Ferrini, BP170, 38042 Grenoble Cedex 09 (France)

    2011-05-13

    Carbon nanotube substrates are promising candidates for biological applications and devices. Interfacing of these carbon nanotubes with neurons can be controlled by chemical modifications. In this study, we investigated how chemical surface functionalization of multi-walled carbon nanotube arrays (MWNT-A) influences neuronal adhesion and network organization. Functionalization of MWNT-A dramatically modifies the length of neurite fascicles, cluster inter-connection success rate, and the percentage of neurites that escape from the clusters. We propose that chemical functionalization represents a method of choice for developing applications in which neuronal patterning on MWNT-A substrates is required.

  18. Chemical Reactive Anchoring Lipids with Different Performance for Cell Surface Re-engineering Application.

    Science.gov (United States)

    Vabbilisetty, Pratima; Boron, Mallorie; Nie, Huan; Ozhegov, Evgeny; Sun, Xue-Long

    2018-02-28

    Introduction of selectively chemical reactive groups at the cell surface enables site-specific cell surface labeling and modification opportunity, thus facilitating the capability to study the cell surface molecular structure and function and the molecular mechanism it underlies. Further, it offers the opportunity to change or improve a cell's functionality for interest of choice. In this study, two chemical reactive anchor lipids, phosphatidylethanolamine-poly(ethylene glycol)-dibenzocyclooctyne (DSPE-PEG 2000 -DBCO) and cholesterol-PEG-dibenzocyclooctyne (CHOL-PEG 2000 -DBCO) were synthesized and their potential application for cell surface re-engineering via lipid fusion were assessed with RAW 264.7 cells as a model cell. Briefly, RAW 264.7 cells were incubated with anchor lipids under various concentrations and at different incubation times. The successful incorporation of the chemical reactive anchor lipids was confirmed by biotinylation via copper-free click chemistry, followed by streptavidin-fluorescein isothiocyanate binding. In comparison, the cholesterol-based anchor lipid afforded a higher cell membrane incorporation efficiency with less internalization than the phospholipid-based anchor lipid. Low cytotoxicity of both anchor lipids upon incorporation into the RAW 264.7 cells was observed. Further, the cell membrane residence time of the cholesterol-based anchor lipid was evaluated with confocal microscopy. This study suggests the potential cell surface re-engineering applications of the chemical reactive anchor lipids.

  19. Chemical Reactive Anchoring Lipids with Different Performance for Cell Surface Re-engineering Application

    Science.gov (United States)

    2018-01-01

    Introduction of selectively chemical reactive groups at the cell surface enables site-specific cell surface labeling and modification opportunity, thus facilitating the capability to study the cell surface molecular structure and function and the molecular mechanism it underlies. Further, it offers the opportunity to change or improve a cell’s functionality for interest of choice. In this study, two chemical reactive anchor lipids, phosphatidylethanolamine–poly(ethylene glycol)–dibenzocyclooctyne (DSPE–PEG2000–DBCO) and cholesterol–PEG–dibenzocyclooctyne (CHOL–PEG2000–DBCO) were synthesized and their potential application for cell surface re-engineering via lipid fusion were assessed with RAW 264.7 cells as a model cell. Briefly, RAW 264.7 cells were incubated with anchor lipids under various concentrations and at different incubation times. The successful incorporation of the chemical reactive anchor lipids was confirmed by biotinylation via copper-free click chemistry, followed by streptavidin-fluorescein isothiocyanate binding. In comparison, the cholesterol-based anchor lipid afforded a higher cell membrane incorporation efficiency with less internalization than the phospholipid-based anchor lipid. Low cytotoxicity of both anchor lipids upon incorporation into the RAW 264.7 cells was observed. Further, the cell membrane residence time of the cholesterol-based anchor lipid was evaluated with confocal microscopy. This study suggests the potential cell surface re-engineering applications of the chemical reactive anchor lipids. PMID:29503972

  20. Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

    Science.gov (United States)

    Hamers, Robert J.; Wang, Yajun; Shan, Jun

    1996-11-01

    We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

  1. Surge-Resistant Nanocomposite Enameled Wire Using Silica Nanoparticles with Binary Chemical Compositions on the Surface

    Directory of Open Access Journals (Sweden)

    Jeseung Yoo

    2015-01-01

    Full Text Available We developed polyesterimide (PEI nanocomposite enameled wires using surface-modified silica nanoparticles with binary chemical compositions on the surface. The modification was done using silanes assisted by ultrasound, which facilitated high density modification. Two different trimethoxysilanes were chosen for the modification on the basis of resemblance of chemical compositions on the silica surface to PEI varnish. The surface-modified silica was well dispersed in PEI varnish, which was confirmed by optical observation and viscosity measurement. The glass transition temperature of the silica-PEI nanocomposite increased with the silica content. The silica-dispersed PEI varnish was then used for enameled wire fabrication. The silica-PEI nanocomposite enameled wire exhibited a much longer lifetime compared to that of neat PEI enameled wire in partial discharge conditions.

  2. Surface Acoustic Wave (SAW-Enhanced Chemical Functionalization of Gold Films

    Directory of Open Access Journals (Sweden)

    Gina Greco

    2017-10-01

    Full Text Available Surface chemical and biochemical functionalization is a fundamental process that is widely applied in many fields to add new functions, features, or capabilities to a material’s surface. Here, we demonstrate that surface acoustic waves (SAWs can enhance the chemical functionalization of gold films. This is shown by using an integrated biochip composed by a microfluidic channel coupled to a surface plasmon resonance (SPR readout system and by monitoring the adhesion of biotin-thiol on the gold SPR areas in different conditions. In the case of SAW-induced streaming, the functionalization efficiency is improved ≈ 5 times with respect to the case without SAWs. The technology here proposed can be easily applied to a wide variety of biological systems (e.g., proteins, nucleic acids and devices (e.g., sensors, devices for cell cultures.

  3. Comprehensive investigation of the corrosion and surface chemical effects of the decontamination technologies

    International Nuclear Information System (INIS)

    Szabo-Nagy, Andrea; Varga, Kalman; Deak-Horvath, Emese; Nemeth, Zoltan; Horvath, David; Schunk, Janos; Patek, Gabor

    2012-09-01

    Decontamination technologies are mainly developed to reduce the collective dose of the maintenance personnel at NPPs. The highest efficiency (i.e., the highest DF values) available without detrimental modification of the treated surface of structural material is the most important goal in the course of the application of a decontamination technology. A so-called 'soft' chemical decontamination technology has been developed - supported by the Paks Nuclear Power Plant - at the Institute of Radiochemistry and Radioecology of the University of Pannonia. The novel base technology can be effectively applied for the decontamination of the heat exchanger tubes of steam generators. In addition, by optimizing the main technological parameters (temperature, concentration of the liquid chemicals, flow rates, contact time, etc.) it can be utilized for specific applications such as decontamination of some dismountable devices and separable equipment or the total decontamination prior to plant dismantling (decommissioning) in the future. The aim of this work is to compare the efficiency, corrosion and surface chemical effects of some improved versions of the novel base-technology elaborated for decontamination of austenitic stainless steel surfaces. The experiments have been performed at laboratory conditions in decontamination model systems. The applied methods: γ-spectrometry, ICP-OES, voltammetry and SEM-EDX. The experimental results revealed that the efficiency of the base-technology mainly depends on the surface features of the stainless steel samples such as the chemical composition and thickness of the oxide layer, the nature (quantity, morphology and chemical composition) of the crystalline deposits. It has been documented that the improved version of the base-technology are suitable for the decontamination of both steel surfaces covered by chemically resistant large Cr-content crystals and that having compact oxide-layers (up to a thickness of 10

  4. Heterogeneous chromatin target model

    International Nuclear Information System (INIS)

    Watanabe, Makoto

    1996-01-01

    The higher order structure of the entangled chromatin fibers in a chromosome plays a key role in molecular control mechanism involved in chromosome mutation due to ionizing radiations or chemical mutagens. The condensed superstructure of chromatin is not so rigid and regular as has been postulated in general. We have proposed a rheological explanation for the flexible network system ('chromatin network') that consists of the fluctuating assembly of nucleosome clusters linked with supertwisting DNA in a chromatin fiber ('Supertwisting Particulate Model'). We have proposed a 'Heterosensitive Target Model' for cellular radiosensitivity that is a modification of 'Heterogeneous Target Model'. The heterogeneity of chromatin target is derived from the highly condensed organization of chromatin segments consist of unstable and fragile sites in the fluctuating assembly of nucleosome clusters, namely 'supranucleosomal particles' or 'superbeads'. The models have been principally supported by our electron microscopic experiments employing 'surface - spreading whole - mount technique' since 1967. However, some deformation and artifacts in the chromatin structure are inevitable with these electron microscopic procedures. On the contrary, the 'atomic force microscope (AFM)' can be operated in liquid as well as in the air. A living specimen can be examined without any preparative procedures. Micromanipulation of the isolated chromosome is also possible by the precise positional control of a cantilever on the nanometer scale. The living human chromosomes were submerged in a solution of culture medium and observed by AFM using a liquid immersion cell. The surface - spreading whole - mount technique was applicable for this observation. The particulate chromatin segments of nucleosome clusters were clearly observed within mitotic human chromosomes in a living hydrated condition. These findings support the heterogeneity of chromatin target in a living cell. (J.P.N.)

  5. Surface chemical functionalities affect the behavior of human adipose-derived stem cells in vitro

    International Nuclear Information System (INIS)

    Liu, Xujie; Feng, Qingling; Bachhuka, Akash; Vasilev, Krasimir

    2013-01-01

    This study examines the effect of surface chemical functionalities on the behavior of human adipose-derived stem cells (hASCs) in vitro. Plasma polymerized films rich in amine (-NH 2 ), carboxyl (-COOH) and methyl (-CH 3 ), were generated on hydroxyapatite (HAp) substrates. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy (XPS). The ability of different substrates to absorb proteins was evaluated. The results showed that substrates modified with hydrophilic functional group (-COOH and -NH 2 ) can absorb more proteins than these modified with more hydrophobic functional group (-CH 3 ). The behavior of human adipose-derived stem cells (hASCs) cultured on different substrates was investigated in vitro: cell counting kit-8 (CCK-8) analysis was used to characterize cell proliferation, scanning electronic microscopy (SEM) analysis was used to characterize cell morphology and alkaline phosphatase (ALP) activity analysis was used to account for differentiation. The results of this study demonstrated that the -NH 2 modified surfaces encourage osteogenic differentiation; the -COOH modified surfaces promote cell adhesion and spreading and the -CH 3 modified surfaces have the lowest ability to induce osteogenic differentiation. These findings confirmed that the surface chemical states of biomaterials can affect the behavior of hASCs in vitro.

  6. Surface chemical functionalities affect the behavior of human adipose-derived stem cells in vitro

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xujie [State key laboratory of new ceramics and fine processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Feng, Qingling, E-mail: biomater@mail.tsinghua.edu.cn [State key laboratory of new ceramics and fine processing, School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Bachhuka, Akash [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); Vasilev, Krasimir [Mawson Institute, University of South Australia, Mawson Lakes 5095 (Australia); School of Advanced Manufacturing, University of South Australia, Mawson Lakes 5095 (Australia)

    2013-04-01

    This study examines the effect of surface chemical functionalities on the behavior of human adipose-derived stem cells (hASCs) in vitro. Plasma polymerized films rich in amine (-NH{sub 2}), carboxyl (-COOH) and methyl (-CH{sub 3}), were generated on hydroxyapatite (HAp) substrates. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy (XPS). The ability of different substrates to absorb proteins was evaluated. The results showed that substrates modified with hydrophilic functional group (-COOH and -NH{sub 2}) can absorb more proteins than these modified with more hydrophobic functional group (-CH{sub 3}). The behavior of human adipose-derived stem cells (hASCs) cultured on different substrates was investigated in vitro: cell counting kit-8 (CCK-8) analysis was used to characterize cell proliferation, scanning electronic microscopy (SEM) analysis was used to characterize cell morphology and alkaline phosphatase (ALP) activity analysis was used to account for differentiation. The results of this study demonstrated that the -NH{sub 2} modified surfaces encourage osteogenic differentiation; the -COOH modified surfaces promote cell adhesion and spreading and the -CH{sub 3} modified surfaces have the lowest ability to induce osteogenic differentiation. These findings confirmed that the surface chemical states of biomaterials can affect the behavior of hASCs in vitro.

  7. RF-plasma vapor deposition of siloxane on paper. Part 2: Chemical evolution of paper surface

    International Nuclear Information System (INIS)

    Sahin, Halil Turgut

    2013-01-01

    Highlights: ► Investigate the detailed RF-cold plasma surface modified paper by XPS and ATR-FTIR. ► Some chemical analysis of RF-cold plasma surface modified paper after RF plasma treatment. ► Identify the connection between RF plasma treatment and the surface chemistry of paper surface. - Abstract: Survey and high-resolution (HR) XPS studies indicate that OMCTSO plasma treatment created a new silicon containing functional groups and changed the hydroxyl content on the surface of paper. Four intense survey XPS spectrum peaks were observed for the OMCTSO plasma treated paper. They were the Si 2p at 100 eV, Si 2s at 160 eV, C 1s at 285 eV, and O 1s at 525 eV for the plasma modified surface. It was realized that the macromolecular chain-breaking mechanisms and plasma-induced etching processes control the number and the availability of OH-functionalities during OMCTSO plasma exposure on paper. The reaction, initiated by these species, depends mainly on the nature of chemicals in the plasma as well as on the energy level of the plasma and the nature of the surface effects in the modification of the paper. The ATR-FTIR spectrum of paper treated with OMCTSO plasma has characteristic absorption bands attributed to the Si-O and Si-O-Si formations on the surface.

  8. Simple method to transfer graphene from metallic catalytic substrates to flexible surfaces without chemical etching

    International Nuclear Information System (INIS)

    Ko, P J; Takahashi, H; Sakai, H; Thu, T V; Okada, H; Sandhu, A; Koide, S

    2013-01-01

    Graphene shows promise for applications in flexible electronics. Here, we describe our procedure to transfer graphene grown on copper substrates by chemical vapor deposition to polydimethylsiloxane (PDMS) and SiO 2 /Si surfaces. The transfer of graphene was achieved by a simple, etching-free method onto flexible PDMS substrates.

  9. Influence of mechanical and chemical degradation on surface gloss of resin composite materials

    NARCIS (Netherlands)

    Ardu, S.; Braut, V.; Uhac, I.; Benbachir, N.; Feilzer, A.J.; Krejci, I.

    2009-01-01

    Purpose: To determine the changes in surface gloss of different composite materials after simulation of mechanical and chemical aging mechanisms. Methods: 36 specimens were fabricated for each material and polished with 120-, 220-, 500-, 1200-, 2400- and 4000- grit SiC abrasive paper, respectively.

  10. Surface preparation process of a uranium titanium alloy, in particular for chemical nickel plating

    International Nuclear Information System (INIS)

    Henri, A.; Lefevre, D.; Massicot, P.

    1987-01-01

    In this process the uranium alloy surface is attacked with a solution of lithium chloride and hydrochloric acid. Dissolved uranium can be recovered from the solution by an ion exchange resin. Treated alloy can be nickel plated by a chemical process [fr

  11. Surface-modified polymeric pads for enhanced performance during chemical mechanical planarization

    International Nuclear Information System (INIS)

    Deshpande, S.; Dakshinamurthy, S.; Kuiry, S.C.; Vaidyanathan, R.; Obeng, Y.S.; Seal, S.

    2005-01-01

    The chemical mechanical planarization (CMP) process occurs at an atomic level at the slurry/wafer interface and hence slurries and polishing pads play a critical role in their successful implementation. Polyurethane is a commonly used polymer in the manufacturing of CMP pads. These pads are incompatible with some chemicals present in the CMP slurries, such as hydrogen peroxide. To overcome these problems, Psiloquest has developed new Application Specific Pads (ASP). Surface of such pads has been modified by depositing a thin film of tetraethyl orthosilicate using plasma-enhanced chemical vapor deposition (PECVD) process. In the present study, mechanical properties of such coated pads have been investigated using nanoindentation. The surface morphology and the chemistry of the ASP were studied using scanning electron microcopy, X-ray photoelectron spectroscopy, and Fourier transform infrared spectroscopy techniques. It was observed that mechanical and chemical properties of the pad top surface are a function of the PECVD coating time. Such PECVD-treated pads are found to be hydrophilic and do not require storage in aqueous media during the not-in-use period. The metal removal rate using such surface-modified polishing pads was found to increase linearly with the PECVD coating time

  12. Microbes and associated soluble and volatile chemicals on periodically wet household surfaces.

    Science.gov (United States)

    Adams, Rachel I; Lymperopoulou, Despoina S; Misztal, Pawel K; De Cassia Pessotti, Rita; Behie, Scott W; Tian, Yilin; Goldstein, Allen H; Lindow, Steven E; Nazaroff, William W; Taylor, John W; Traxler, Matt F; Bruns, Thomas D

    2017-09-26

    Microorganisms influence the chemical milieu of their environment, and chemical metabolites can affect ecological processes. In built environments, where people spend the majority of their time, very little is known about how surface-borne microorganisms influence the chemistry of the indoor spaces. Here, we applied multidisciplinary approaches to investigate aspects of chemical microbiology in a house. We characterized the microbial and chemical composition of two common and frequently wet surfaces in a residential setting: kitchen sink and bathroom shower. Microbial communities were studied using culture-dependent and independent techniques, including targeting RNA for amplicon sequencing. Volatile and soluble chemicals from paired samples were analyzed using state-of-the-art techniques to explore the links between the observed microbiota and chemical exudates. Microbial analysis revealed a rich biological presence on the surfaces exposed in kitchen sinks and bathroom shower stalls. Microbial composition, matched for DNA and RNA targets, varied by surface type and sampling period. Bacteria were found to have an average of 25× more gene copies than fungi. Biomass estimates based on qPCR were well correlated with measured total volatile organic compound (VOC) emissions. Abundant VOCs included products associated with fatty acid production. Molecular networking revealed a diversity of surface-borne compounds that likely originate from microbes and from household products. Microbes played a role in structuring the chemical profiles on and emitted from kitchen sinks and shower stalls. Microbial VOCs (mVOCs) were predominately associated with the processing of fatty acids. The mVOC composition may be more stable than that of microbial communities, which can show temporal and spatial variation in their responses to changing environmental conditions. The mVOC output from microbial metabolism on kitchen sinks and bathroom showers should be apparent through careful

  13. AFM assessment of the surface nano/microstructure on chemically damaged historical and model glasses

    Energy Technology Data Exchange (ETDEWEB)

    Carmona, Noemi [Centro Nacional de Investigaciones Metalurgicas, CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Kowal, Andrzej [Institute of Catalysis and Surface Chemistry, PAN, ul. Niezapominajek 8, 30239 Cracow (Poland); Rincon, Jesus-Maria [Instituto Eduardo Torroja de Ciencias de la Construccion, CSIC, C. Serrano Galvache s/n, 28033 Madrid (Spain); Villegas, Maria-Angeles, E-mail: mariangeles.villegas@cchs.csic.es [Centro Nacional de Investigaciones Metalurgicas, CSIC, Avda. Gregorio del Amo, 8, 28040 Madrid (Spain); Instituto de Historia, Centro de Ciencias Humanas y Sociales, CSIC, C. Albasanz, 26-28, 28037 Madrid (Spain)

    2010-01-15

    Surface chemical damage on selected historical glasses from 13th to 19th centuries was evaluated by means of atomic force microscopy (AFM). Nano- and microstructure, roughness and topography of ancient glass samples have been compared with those of model glasses prepared by conventional melting at the laboratory with similar compositions to those most frequently found in historical glass pieces. The results obtained allow discussing the chemical degradation mechanisms in terms of the acid and/or basic chemical attack carried out by the combination of gaseous pollutants and environmental humidity. Even though deep corrosion features escape to the observation order of magnitude of the AF microscope used, the AFM technique proves to be quite useful for the study and evaluation of the most common surface pathologies of historical glasses with different compositions once submitted to natural weathering.

  14. AFM assessment of the surface nano/microstructure on chemically damaged historical and model glasses

    International Nuclear Information System (INIS)

    Carmona, Noemi; Kowal, Andrzej; Rincon, Jesus-Maria; Villegas, Maria-Angeles

    2010-01-01

    Surface chemical damage on selected historical glasses from 13th to 19th centuries was evaluated by means of atomic force microscopy (AFM). Nano- and microstructure, roughness and topography of ancient glass samples have been compared with those of model glasses prepared by conventional melting at the laboratory with similar compositions to those most frequently found in historical glass pieces. The results obtained allow discussing the chemical degradation mechanisms in terms of the acid and/or basic chemical attack carried out by the combination of gaseous pollutants and environmental humidity. Even though deep corrosion features escape to the observation order of magnitude of the AF microscope used, the AFM technique proves to be quite useful for the study and evaluation of the most common surface pathologies of historical glasses with different compositions once submitted to natural weathering.

  15. On the topography of sputtered or chemically etched crystals: surface energies minimised

    International Nuclear Information System (INIS)

    Chadderton, L.T.; Cope, J.O.

    1984-01-01

    The sputtering of single or polycrystalline metal surfaces by heavy ions gives rise to the characteristic topographical features of etch pits, ripples, and cones (pyramids). For cones and pyramids, in particular, no completely satisfactory explanation exists as to the origin of the basic geometry. Scanning electron micrographs are shown. It is proposed that for topographical features of both chemical etch and ion beam origin on single crystal surfaces, the presence of facets on cones and pyramids in particular, is due to the minimization of surface energy. (U.K.)

  16. X-ray photoemission analysis of chemically modified TlBr surfaces for improved radiation detectors

    International Nuclear Information System (INIS)

    Nelson, A. J.; Voss, L. F.; Beck, P. R.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.; Lee, J.-S.; Kim, H.; Cirignano, L.; Shah, K.

    2013-01-01

    We subjected device-grade TlBr to various chemical treatments used in room temperature radiation detector fabrication to determine the resulting surface composition and electronic structure. As-polished TlBr was treated separately with HCl, SOCl 2 , Br:MeOH and HF solutions. High-resolution photoemission measurements on the valence band electronic structure and Tl 4f, Br 3d, Cl 2p and S 2p core lines were used to evaluate surface chemistry and shallow heterojunction formation. Surface chemistry and valence band electronic structure were correlated with the goal of optimizing the long-term stability and radiation response

  17. Geometrical Considerations for Piezoresistive Microcantilever Response to Surface Stress during Chemical Sensing

    Energy Technology Data Exchange (ETDEWEB)

    Loui, A; Goericke, F; Ratto, T; Lee, J; Hart, B; King, W

    2008-04-25

    We have designed, fabricated, and tested five piezoresistive cantilever configurations to investigate the effect of shape and piezoresistor placement on the sensitivity of microcantilevers under either point loading and surface stress loading. The experimental study reveals that: (1) high aspect ratio cantilevers that are much longer than they are wide are optimal for point-loading applications such as microscopy and force measurements; (2) low aspect ratio cantilevers that are short and wide are optimal for surface stress loading scenarios such as those that occur in biological and chemical sensor applications. The sensitivity data for both point loads and surface stress are consistent with previously developed finite-element models.

  18. Fabrication of Hydrophobic Surface on Wood Veneer via Electroless Nickel Plating Combined with Chemical Corrosion

    Directory of Open Access Journals (Sweden)

    Zhaojun Tang

    2015-12-01

    Full Text Available Birch veneers were coated with Ni-P films by a combined process of KBH4 activation and electroless plating. The plated veneers were further chemically corroded to obtain hydrophobic surfaces on wood. The effect of chemical corrosion on the contact angle of the veneers was investigated. The hydrophobic veneers were characterized by X-ray photo electron spectroscopy (XPS, scanning electron microscopy (SEM, and X-ray diffraction (XRD. The surface contact angle of birch veneer before and after it was plated with Ni-P alloy coating was 41º and 121º, respectively. The contact angle reached 136.7º when the nickel-coated veneers were corroded in CuSO4 aqueous solution for 30 min. XPS analysis showed that Cu0 cluster doped with little CuO formed on the corroded surface of Ni-P alloy film after chemical corrosion. SEM and XRD showed that rough copper clusters formed on the surface of the wood veneer and revealed the reason of the surface hydrophobicity. This study provides a new pathway for fabricating hydrophobic wood.

  19. Morpho-chemical characterization and surface properties of carcinogenic zeolite fibers.

    Science.gov (United States)

    Mattioli, Michele; Giordani, Matteo; Dogan, Meral; Cangiotti, Michela; Avella, Giuseppe; Giorgi, Rodorico; Dogan, A Umran; Ottaviani, Maria Francesca

    2016-04-05

    Erionite belonging to the zeolite family is a human health-hazard, since it was demonstrated to be carcinogenic. Conversely, offretite family zeolites were suspected carcinogenic. Mineralogical, morphological, chemical, and surface characterizations were performed on two erionites (GF1, MD8) and one offretite (BV12) fibrous samples and, for comparison, one scolecite (SC1) sample. The specific surface area analysis indicated a larger availability of surface sites for the adsorption onto GF1, while SC1 shows the lowest one and the presence of large pores in the poorly fibrous zeolite aggregates. Selected spin probes revealed a high adsorption capacity of GF1 compared to the other zeolites, but the polar/charged interacting sites were well distributed, intercalated by less polar sites (Si-O-Si). MD8 surface is less homogeneous and the polar/charged sites are more interacting and closer to each other compared to GF1. The interacting ability of BV12 surface is much lower than that found for GF1 and MD8 and the probes are trapped in small pores into the fibrous aggregates. In comparison with the other zeolites, the non-carcinogenic SC1 shows a poor interacting ability and a lower surface polarity. These results helped to clarify the chemical properties and the surface interacting ability of these zeolite fibers which may be related to their carcinogenicity. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Efficacy of liquid and foam decontamination technologies for chemical warfare agents on indoor surfaces.

    Science.gov (United States)

    Love, Adam H; Bailey, Christopher G; Hanna, M Leslie; Hok, Saphon; Vu, Alex K; Reutter, Dennis J; Raber, Ellen

    2011-11-30

    Bench-scale testing was used to evaluate the efficacy of four decontamination formulations on typical indoor surfaces following exposure to the liquid chemical warfare agents sarin (GB), soman (GD), sulfur mustard (HD), and VX. Residual surface contamination on coupons was periodically measured for up to 24h after applying one of four selected decontamination technologies [0.5% bleach solution with trisodium phosphate, Allen Vanguard Surface Decontamination Foam (SDF™), U.S. military Decon Green™, and Modec Inc. and EnviroFoam Technologies Sandia Decontamination Foam (DF-200)]. All decontamination technologies tested, except for the bleach solution, performed well on nonporous and nonpermeable glass and stainless-steel surfaces. However, chemical agent residual contamination typically remained on porous and permeable surfaces, especially for the more persistent agents, HD and VX. Solvent-based Decon Green™ performed better than aqueous-based bleach or foams on polymeric surfaces, possibly because the solvent is able to penetrate the polymer matrix. Bleach and foams out-performed Decon Green for penetrating the highly polar concrete surface. Results suggest that the different characteristics needed for an ideal and universal decontamination technology may be incompatible in a single formulation and a strategy for decontaminating a complex facility will require a range of technologies. Copyright © 2011 Elsevier B.V. All rights reserved.

  1. Dynamic Chemical and Structural Changes of Heterogeneous Catalysts Observed in Real Time: From Catalysis-Induced Fluxionality to Catalytic Cycles

    Science.gov (United States)

    2014-11-26

    obtained from the fit of the “Clean Pd NCs” (Figure 5 and Table 1) under the approximation the surface atoms have a bond length and EXAFS Debye -Waller...evidence for a model in which Ar drives restructuring of under-coordinated Pd atoms, leading to an increased Pd-Pd bond length of surface Pd atoms... length expansion was calculated by taking the difference between the average NN bond length of each atom before and after being exposed to Ar. The

  2. Controlled surface diffusion in plasma-enhanced chemical vapor deposition of GaN nanowires

    International Nuclear Information System (INIS)

    Hou, W C; Hong, Franklin Chau-Nan

    2009-01-01

    This study investigates the growth of GaN nanowires by controlling the surface diffusion of Ga species on sapphire in a plasma-enhanced chemical vapor deposition (CVD) system. Under nitrogen-rich growth conditions, Ga has a tendency to adsorb on the substrate surface diffusing to nanowires to contribute to their growth. The significance of surface diffusion on the growth of nanowires is dependent on the environment of the nanowire on the substrate surface as well as the gas phase species and compositions. Under nitrogen-rich growth conditions, the growth rate is strongly dependent on the surface diffusion of gallium, but the addition of 5% hydrogen in nitrogen plasma instantly diminishes the surface diffusion effect. Gallium desorbs easily from the surface by reaction with hydrogen. On the other hand, under gallium-rich growth conditions, nanowire growth is shown to be dominated by the gas phase deposition, with negligible contribution from surface diffusion. This is the first study reporting the inhibition of surface diffusion effects by hydrogen addition, which can be useful in tailoring the growth and characteristics of nanowires. Without any evidence of direct deposition on the nanowire surface, gallium and nitrogen are shown to dissolve into the catalyst for growing the nanowires at 900 deg. C.

  3. Effect of Heterogeneity in Coal Ash Chemical Composition on the Onset of Conditions Favorable for Agglomeration in Fluid Beds

    Directory of Open Access Journals (Sweden)

    Aditi B. Khadilkar

    2015-11-01

    Full Text Available Ash agglomeration issues that arise due to the sticking of slag-wetted, colliding particles have been creating operational difficulties and monetary losses for the fluidized bed combustion (FBC industry. Difficulties have been experienced in the detection of slag-liquid at the low operating temperatures in fluidized bed combustors (FBCs and predicting the agglomeration behavior of fuel. This study aims to study the effect of heterogeneity in ash composition on the detection of slag-liquid in FBCs. It quantifies the slag-liquid amounts at the particle-level, under oxidizing environments, by dividing the bulk fuel into density classes. FactSage™ thermodynamic simulations of each of the particle classes, along with experimental validation of the trends with thermo-mechanical analysis (TMA and high temperature X-ray diffraction (HT-XRD were performed. The results obtained can be used to estimate the stickiness of particles in the development of ash agglomeration models based on particle collisions. The study of these particle classes shows that particle classes with specific minerals can form low temperature eutectics and lead to onset of slag-liquid formation at temperatures below those predicted by bulk analysis alone. Comparison of the differences in slag-liquid formation tendencies under reducing and oxidizing environments is also presented.

  4. Tailoring the surface chemical bond states of the NbN films by doping Ag: Achieving hard hydrophobic surface

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Ping; Zhang, Kan; Du, Suxuan [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Meng, Qingnan [College of Construction Engineering, Jilin University, Changchun, 130026 (China); He, Xin [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Wang, Shuo [Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China); Wen, Mao, E-mail: wenmao225@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Zheng, Weitao, E-mail: WTZheng@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China)

    2017-06-15

    Highlights: • Intrinsically hydrophilic NbN films can transfer to hydrophobic Nb-Ag-N films by doping Ag atoms into NbN sublattice. • Solute Ag can promote that the hydrophobic Ag{sub 2}O groups formed on the Nb-Ag-N film surface through self-oxidation. • The present work may provide a straightforward approach for the production of robust hydrophobic ceramic surfaces. - Abstract: Robust hydrophobic surfaces based on ceramics capable of withstanding harsh conditions such as abrasion, erosion and high temperature, are required in a broad range of applications. The metal cations with coordinative saturation or low electronegativity are commonly chosen to achieve the intrinsically hydrophobic ceramic by reducing Lewis acidity, and thus the ceramic systems are limited. In this work, we present a different picture that robust hydrophobic surface with high hardness (≥20 GPa) can be fabricated through doping Ag atoms into intrinsically hydrophilic ceramic film NbN by reactive co-sputtering. The transition of wettability from hydrophilic to hydrophobic of Nb-Ag-N films induced by Ag doping results from the appearance of Ag{sub 2}O groups on the films surfaces through self-oxidation, because Ag cations (Ag{sup +}) in Ag{sub 2}O are the filled-shell (4d{sup 10}5S{sup 0}) electronic structure with coordinative saturation that have no tendency to interact with water. The results show that surface Ag{sub 2}O benefited for hydrophobicity comes from the solute Ag atoms rather than precipitate metal Ag, in which the more Ag atoms incorporated into Nb-sublattice are able to further improve the hydrophobicity, whereas the precipitation of Ag nanoclusters would worsen it. The present work opens a window for fabricating robust hydrophobic surface through tailoring surface chemical bond states by doping Ag into transition metal nitrides.

  5. Description of temperature dependence of phosphorescence attenuation kinetics of rose Bengal dye at presence of anthracene on the silica heterogeneous surface by the exponential regression method

    International Nuclear Information System (INIS)

    Karstina, S.G.; Markova, M.P.

    2002-01-01

    In the work rose Bengal dye (triplet energy donor) and aromatic hydrocarbon anthracene (triplet energy acceptor) were selected in the capacity of examined substances. The substances were sorption on the SiO 2 porous surface. Measurement have been conducted on the laser device allowing to register of examined composition phosphorescence with time resolution 300 ns at wave length 710 nm. In the result of attenuation kinetic analysis for rose Bengal phosphorescence the empiric formula allowing describing processes of luminescence damping on the heterogeneous surfaces with fractal structure was derived

  6. Morpho-chemical characterization and surface properties of carcinogenic zeolite fibers

    International Nuclear Information System (INIS)

    Mattioli, Michele; Giordani, Matteo; Dogan, Meral; Cangiotti, Michela; Avella, Giuseppe; Giorgi, Rodorico; Dogan, A. Umran; Ottaviani, Maria Francesca

    2016-01-01

    Highlights: • Differently carcinogenic zeolite fibers were investigated combining physico-chemical methods. • For the first time, zeolite fibers were studied by means of the EPR technique using different spin probes. • The structural properties and the adsorption capability are function of different types and distributions of adsorption sites. • The interacting ability of erionite is higher than that of other fibrous zeolites. • The surface interacting properties may be related with the carcinogenicity of the zeolite fibers. - Abstract: Erionite belonging to the zeolite family is a human health-hazard, since it was demonstrated to be carcinogenic. Conversely, offretite family zeolites were suspected carcinogenic. Mineralogical, morphological, chemical, and surface characterizations were performed on two erionites (GF1, MD8) and one offretite (BV12) fibrous samples and, for comparison, one scolecite (SC1) sample. The specific surface area analysis indicated a larger availability of surface sites for the adsorption onto GF1, while SC1 shows the lowest one and the presence of large pores in the poorly fibrous zeolite aggregates. Selected spin probes revealed a high adsorption capacity of GF1 compared to the other zeolites, but the polar/charged interacting sites were well distributed, intercalated by less polar sites (Si–O–Si). MD8 surface is less homogeneous and the polar/charged sites are more interacting and closer to each other compared to GF1. The interacting ability of BV12 surface is much lower than that found for GF1 and MD8 and the probes are trapped in small pores into the fibrous aggregates. In comparison with the other zeolites, the non-carcinogenic SC1 shows a poor interacting ability and a lower surface polarity. These results helped to clarify the chemical properties and the surface interacting ability of these zeolite fibers which may be related to their carcinogenicity.

  7. Shape-dependent guidance of active Janus particles by chemically patterned surfaces

    Science.gov (United States)

    Uspal, W. E.; Popescu, M. N.; Tasinkevych, M.; Dietrich, S.

    2018-01-01

    Self-phoretic chemically active Janus particles move by inducing—via non-equilibrium chemical reactions occurring on their surfaces—changes in the chemical composition of the solution in which they are immersed. This process leads to gradients in chemical composition along the surface of the particle, as well as along any nearby boundaries, including solid walls. Chemical gradients along a wall can give rise to chemi-osmosis, i.e., the gradients drive surface flows which, in turn, drive flow in the volume of the solution. This bulk flow couples back to the particle, and thus contributes to its self-motility. Since chemi-osmosis strongly depends on the molecular interactions between the diffusing molecular species and the wall, the response flow induced and experienced by a particle encodes information about any chemical patterning of the wall. Here, we extend previous studies on self-phoresis of a sphere near a chemically patterned wall to the case of particles with rod-like, elongated shape. We focus our analysis on the new phenomenology potentially emerging from the coupling—which is inoperative for a spherical shape—of the elongated particle to the strain rate tensor of the chemi-osmotic flow. Via detailed numerical calculations, we show that the dynamics of a rod-like particle exhibits a novel ‘edge-following’ steady state: the particle translates along the edge of a chemical step at a steady distance from the step and with a steady orientation. Moreover, within a certain range of system parameters, the edge-following state co-exists with a ‘docking’ state (the particle stops at the step, oriented perpendicular to the step edge), i.e., a bistable dynamics occurs. These findings are rationalized as a consequence of the competition between the fluid vorticity and the rate of strain by using analytical theory based on the point-particle approximation which captures quasi-quantitatively the dynamics of the system.

  8. Surface characterization of ZnO nanorods grown by chemical bath deposition

    Energy Technology Data Exchange (ETDEWEB)

    Mbulanga, C.M., E-mail: crispin.mbulanga@nmmu.ac.za [Department of Physics, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Urgessa, Z.N.; Tankio Djiokap, S.R.; Botha, J.R. [Department of Physics, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Duvenhage, M.M.; Swart, H.C. [Department of Physics, University of the Free State, P.O Box 77000, Bloemfontein ZA9300 (South Africa)

    2016-01-01

    The surface composition of as-grown and annealed ZnO nanorods (ZNs) grown by a two-step chemical bath deposition method is investigated by the following surface-sensitive techniques: Time-of-Flight Secondary Ion Mass Spectroscopy (TOF-SIMS), X-ray Photoelectron Spectroscopy (XPS) and Auger Electron Spectroscopy (AES). The presence of H on the surface and throughout the entire thickness of ZNs is confirmed by TOF-SIMS. Based on TOF-SIMS results, the O2 XPS peak mostly observable at ~531.5 is assigned to O bound to H. Furthermore, it is found that the near surface region of as-grown ZNs is Zn-rich, and annealing at high temperature (~850 °C) removes H-related defects from the surface of ZNs and affect the balance of zinc and oxygen concentrations.

  9. Chemical modification of glass surface with a monolayer of nonchromophoric and chromophoric methacrylate terpolymer

    Energy Technology Data Exchange (ETDEWEB)

    Janik, Ryszard [Department of Polymer Engineering and Technology, Wroclaw University of Technology, 50-370 Wroclaw (Poland); Kucharski, Stanislaw, E-mail: stanislaw.kucharski@pwr.wroc.pl [Department of Polymer Engineering and Technology, Wroclaw University of Technology, 50-370 Wroclaw (Poland); Sobolewska, Anna [Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, 50-370 Wroclaw (Poland); Barille, Regis [Institut des Sciences et Techniques Moleculaires d' Angers ' Moltech Anjou' , CNRS UMR 6200, 49045 Angers (France)

    2010-11-15

    The methacrylate terpolymers, a nonchromophoric and chromophoric one, containing 2-hydroxyethyl groups were reacted with 3-isocyanatopropyltriethoxysilane to obtain reactive polymers able to form covalent bonding with -SiOH groups of the glass surface via triethoxysilane group condensation. Chemical modification of the Corning 2949 glass plates treated in this way resulted in increase of wetting angle from 11{sup o} to ca. 70-73{sup o}. Determination of ellipsometric parameters revealed low value of the substrate refractive index as compared with that of bulk Corning 2949 glass suggesting roughness of the surface. The AFM image of the bare glass surface and that modified with terpolymer monolayer confirmed this phenomenon. Modification of the glass with the terpolymer monolayer made it possible to create the substrate surface well suited for deposition of familiar chromophore film by spin-coating. The chromophore polymer film deposited onto the modified glass surface was found to be resistant to come unstuck in aqueous solution.

  10. Increased Surface Roughness in Polydimethylsiloxane Films by Physical and Chemical Methods

    Directory of Open Access Journals (Sweden)

    Jorge Nicolás Cabrera

    2017-08-01

    Full Text Available Two methods, the first physical and the other chemical, were investigated to modify the surface roughness of polydimethylsiloxane (PDMS films. The physical method consisted of dispersing multi-walled carbon nanotubes (MWCNTs and magnetic cobalt ferrites (CoFe2O4 prior to thermal cross-linking, and curing the composite system in the presence of a uniform magnetic field H. The chemical method was based on exposing the films to bromine vapours and then UV-irradiating. The characterizing techniques included scanning electron microscopy (SEM, energy-dispersive spectroscopy (EDS, Fourier transform infrared (FTIR spectroscopy, optical microscopy, atomic force microscopy (AFM and magnetic force microscopy (MFM. The surface roughness was quantitatively analyzed by AFM. In the physical method, the random dispersion of MWCNTs (1% w/w and magnetic nanoparticles (2% w/w generated a roughness increase of about 200% (with respect to PDMS films without any treatment, but that change was 400% for films cured in the presence of H perpendicular to the surface. SEM, AFM and MFM showed that the magnetic particles always remained attached to the carbon nanotubes, and the effect on the roughness was interpreted as being due to a rupture of dispersion randomness and a possible induction of structuring in the direction of H. In the chemical method, the increase in roughness was even greater (1000%. Wells were generated with surface areas that were close to 100 μm2 and depths of up to 500 nm. The observations of AFM images and FTIR spectra were in agreement with the hypothesis of etching by Br radicals generated by UV on the polymer chains. Both methods induced important changes in the surface roughness (the chemical method generated the greatest changes due to the formation of surface wells, which are of great importance in superficial technological processes.

  11. Depth treatment of coal-chemical engineering wastewater by a cost-effective sequential heterogeneous Fenton and biodegradation process.

    Science.gov (United States)

    Fang, Yili; Yin, Weizhao; Jiang, Yanbin; Ge, Hengjun; Li, Ping; Wu, Jinhua

    2018-05-01

    In this study, a sequential Fe 0 /H 2 O 2 reaction and biological process was employed as a low-cost depth treatment method to remove recalcitrant compounds from coal-chemical engineering wastewater after regular biological treatment. First of all, a chemical oxygen demand (COD) and color removal efficiency of 66 and 63% was achieved at initial pH of 6.8, 25 mmol L -1 of H 2 O 2 , and 2 g L -1 of Fe 0 in the Fe 0 /H 2 O 2 reaction. According to the gas chromatography-mass spectrometer (GC-MS) and gas chromatography-flame ionization detector (GC-FID) analysis, the recalcitrant compounds were effectively decomposed into short-chain organic acids such as acetic, propionic, and butyric acids. Although these acids were resistant to the Fe 0 /H 2 O 2 reaction, they were effectively eliminated in the sequential air lift reactor (ALR) at a hydraulic retention time (HRT) of 2 h, resulting in a further decrease of COD and color from 120 to 51 mg L -1 and from 70 to 38 times, respectively. A low operational cost of 0.35 $ m -3 was achieved because pH adjustment and iron-containing sludge disposal could be avoided since a total COD and color removal efficiency of 85 and 79% could be achieved at an original pH of 6.8 by the above sequential process with a ferric ion concentration below 0.8 mg L -1 after the Fe 0 /H 2 O 2 reaction. It indicated that the above sequential process is a promising and cost-effective method for the depth treatment of coal-chemical engineering wastewaters to satisfy discharge requirements.

  12. Simulation of the evolution of fused silica's surface defect during wet chemical etching

    Science.gov (United States)

    Liu, Taixiang; Yang, Ke; Li, Heyang; Yan, Lianghong; Yuan, Xiaodong; Yan, Hongwei

    2017-08-01

    Large high-power-laser facility is the basis for achieving inertial confinement fusion, one of whose missions is to make fusion energy usable in the near future. In the facility, fused silica optics plays an irreplaceable role to conduct extremely high-intensity laser to fusion capsule. But the surface defect of fused silica is a major obstacle limiting the output power of the large laser facility and likely resulting in the failure of ignition. To mitigate, or event to remove the surface defect, wet chemical etching has been developed as a practical way. However, how the surface defect evolves during wet chemical etching is still not clearly known so far. To address this problem, in this work, the three-dimensional model of surface defect is built and finite difference time domain (FDTD) method is developed to simulate the evolution of surface defect during etching. From the simulation, it is found that the surface defect will get smooth and result in the improvement of surface quality of fused silica after etching. Comparatively, surface defects (e.g. micro-crack, scratch, series of pinholes, etc.) of a typical fused silica at different etching time are experimentally measured. It can be seen that the simulation result agrees well with the result of experiment, indicating the FDTD method is valid for investigating the evolution of surface defect during etching. With the finding of FDTD simulation, one can optimize the treatment process of fused silica in practical etching or even to make the initial characterization of surface defect traceable.

  13. XXI symposium Modern chemical physics. Tuapse 2009. Summaries of reports

    International Nuclear Information System (INIS)

    2009-01-01

    The materials of the XXI symposium Modern chemical physics, Tuapse 2009 (25 September - 6 October, 2009) are presented. Scientific program includes lectures, presentations and poster sessions on photochemistry and radiation chemistry, elementary processes, homogeneous and heterogeneous catalysis. The problems of chemical reaction kinetics, quantum chemistry, chemical spectroscopy, macromolecular chemistry are discussed. Topics of chemical physics of surface, nanochemistry, nanophysics and nanotechnology are treated [ru

  14. Ion association at discretely-charged dielectric interfaces: Giant charge inversion [Dielectric response controlled ion association at physically heterogeneous surfaces: Giant charge reversal

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhi -Yong [Chongqing Univ. of Technology, Chongqing (China); Univ. of California, Riverside, CA (United States); Wu, Jianzhong [Univ. of California, Riverside, CA (United States)

    2017-07-11

    Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Lastly, our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

  15. Nanosecond laser textured superhydrophobic metallic surfaces and their chemical sensing applications

    Science.gov (United States)

    Ta, Duong V.; Dunn, Andrew; Wasley, Thomas J.; Kay, Robert W.; Stringer, Jonathan; Smith, Patrick J.; Connaughton, Colm; Shephard, Jonathan D.

    2015-12-01

    This work demonstrates superhydrophobic behavior on nanosecond laser patterned copper and brass surfaces. Compared with ultrafast laser systems previously used for such texturing, infrared nanosecond fiber lasers offer a lower cost and more robust system combined with potentially much higher processing rates. The wettability of the textured surfaces develops from hydrophilicity to superhydrophobicity over time when exposed to ambient conditions. The change in the wetting property is attributed to the partial deoxidation of oxides on the surface induced during laser texturing. Textures exhibiting steady state contact angles of up to ∼152° with contact angle hysteresis of around 3-4° have been achieved. Interestingly, the superhydrobobic surfaces have the self-cleaning ability and have potential for chemical sensing applications. The principle of these novel chemical sensors is based on the change in contact angle with the concentration of methanol in a solution. To demonstrate the principle of operation of such a sensor, it is found that the contact angle of methanol solution on the superhydrophobic surfaces exponentially decays with increasing concentration. A significant reduction, of 128°, in contact angle on superhydrophobic brass is observed, which is one order of magnitude greater than that for the untreated surface (12°), when percent composition of methanol reaches to 28%.

  16. Chemical surface reactions by click chemistry: coumarin dye modification of 11-bromoundecyltrichlorosilane monolayers

    International Nuclear Information System (INIS)

    Haensch, Claudia; Hoeppener, Stephanie; Schubert, Ulrich S

    2008-01-01

    The functionalization of surfaces and the ability to tailor their properties with desired physico-chemical functions is an important field of research with a broad spectrum of applications. These applications range from the modification of wetting properties, over the alteration of optical properties, to the fabrication of molecular electronic devices. In each of these fields, it is of specific importance to be able to control the quality of the layers with high precision. The present study demonstrates an approach that utilizes the 1,3-dipolar cycloaddition of terminal acetylenes to prepare triazole-terminated monolayers on different substrates. The characterization of the precursor monolayers, the optimization of the chemical surface reactions as well as the clicking of a fluorescent dye molecule on such azide-terminated monolayers was carried out. A coumarin 343 derivative was utilized to discuss the aspects of the functionalization approach. Based on this approach, a number of potential surface reactions, facilitated via the acetylene-substituted functional molecules, for a broad range of applications is at hand, thus leading to numerous possibilities where surface modifications are concerned. These modifications can be applied on non-structured surfaces of silicon or glass or can be used on structured surfaces. Various possibilities are discussed

  17. Chemical imaging and solid state analysis at compact surfaces using UV imaging

    DEFF Research Database (Denmark)

    Wu, Jian X.; Rehder, Sönke; van den Berg, Frans

    2014-01-01

    and excipients in a non-invasive way, as well as mapping the glibenclamide solid state form. An exploratory data analysis supported the critical evaluation of the mapping results and the selection of model parameters for the chemical mapping. The present study demonstrated that the multi-wavelength UV imaging......Fast non-destructive multi-wavelength UV imaging together with multivariate image analysis was utilized to visualize distribution of chemical components and their solid state form at compact surfaces. Amorphous and crystalline solid forms of the antidiabetic compound glibenclamide...

  18. Contributions of chemical and mechanical surface properties and temperature effect on the adhesion at the nanoscale

    International Nuclear Information System (INIS)

    Awada, Houssein; Noel, Olivier; Hamieh, Tayssir; Kazzi, Yolla; Brogly, Maurice

    2011-01-01

    The atomic force microscope (AFM) is a powerful tool to investigate surface properties of model systems at the nanoscale. However, to get semi-quantitative and reproducible data with the AFM, it is necessary to establish a rigorous experimental procedure. In particular, a systematic calibration procedure of AFM measurements is necessary before producing reliable semi-quantitative data. In this paper, we study the contributions of the chemical and mechanical surface properties or the temperature influence on the adhesion energy at a local scale. To reach this objective, two types of model systems were considered. The first one is composed of rigid substrates (silicon wafers or AFM tips covered with gold) which were chemically modified by molecular self-assembling monolayers to display different surface properties (methyl and hydroxyl functional groups). The second one consists of model polymer networks (cross-linked polydimethylsiloxane) of variable mechanical properties. The comparison of the force curves obtained from the two model systems shows that the viscoelastic contributions dominate for the adhesion with polymer substrates, whereas, chemical contributions dominate for the rigid substrates. The temperature effect on the adhesion energy is also reported. Finally, we propose a relation for the adhesion energy at the nanoscale. This relation relates the energy measured during the separation of the contact to the three parameters: the surface properties of the polymer, the energy dissipated within the contact zone and the temperature.

  19. Quantification of chemical transport processes from the soil to surface runoff.

    Science.gov (United States)

    Tian, Kun; Huang, Chi-Hua; Wang, Guang-Qian; Fu, Xu-Dong; Parker, Gary

    2013-01-01

    There is a good conceptual understanding of the processes that govern chemical transport from the soil to surface runoff, but few studies have actually quantified these processes separately. Thus, we designed a laboratory flow cell and experimental procedures to quantify the chemical transport from soil to runoff water in the following individual processes: (i) convection with a vertical hydraulic gradient, (ii) convection via surface flow or the Bernoulli effect, (iii) diffusion, and (iv) soil loss. We applied different vertical hydraulic gradients by setting the flow cell to generate different seepage or drainage conditions. Our data confirmed the general form of the convection-diffusion equation. However, we now have additional quantitative data that describe the contribution of each individual chemical loading process in different surface runoff and soil hydrological conditions. The results of this study will be useful for enhancing our understanding of different geochemical processes in the surface soil mixing zone. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  20. Different effects of surface heterogeneous atoms of porous and non-porous carbonaceous materials on adsorption of 1,1,2,2-tetrachloroethane in aqueous environment.

    Science.gov (United States)

    Chen, Weifeng; Ni, Jinzhi

    2017-05-01

    The surface heterogeneous atoms of carbonaceous materials (CMs) play an important role in adsorption of organic pollutants. However, little is known about the surface heterogeneous atoms of CMs might generate different effect on adsorption of hydrophobic organic compounds by porous carbonaceous materials - activated carbons (ACs) and non-porous carbonaceous materials (NPCMs). In this study, we observed that the surface oxygen and nitrogen atoms could decrease the adsorption affinity of both ACs and NPCMs for 1,1,2,2-tetrachloroethane (TeCA), but the degree of decreasing effects were very different. The increasing content of surface oxygen and nitrogen ([O + N]) caused a sharper decrease in adsorption affinity of ACs (slope of lg (k d /SA) vs [O + N]: -0.098∼-0.16) than that of NPCMs (slope of lg (k d /SA) vs [O + N]: -0.025∼-0.059) for TeCA. It was due to the water cluster formed by the surface hydrophilic atoms that could block the micropores and generate massive invalid adsorption sites in the micropores of ACs, while the water cluster only occupied the surface adsorption sites of NPCMs. Furthermore, with the increasing concentration of dissolved TeCA, the effect of surface area on adsorption affinity of NPCMs for TeCA kept constant while the effect of [O + N] decreased due to the competitive adsorption between water molecule and TeCA on the surface of NPCMs, meanwhile, both the effects of micropore volume and [O + N] on adsorption affinity of ACs for TeCA were decreased due to the mechanism of micropore volume filling. These findings are valuable for providing a deep insight into the adsorption mechanisms of CMs for TeCA. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Sequence heterogeneity of cannabidiolic- and tetrahydrocannabinolic acid-synthase in Cannabis sativa L. and its relationship with chemical phenotype.

    Science.gov (United States)

    Onofri, Chiara; de Meijer, Etienne P M; Mandolino, Giuseppe

    2015-08-01

    Sequence variants of THCA- and CBDA-synthases were isolated from different Cannabis sativa L. strains expressing various wild-type and mutant chemical phenotypes (chemotypes). Expressed and complete sequences were obtained from mature inflorescences. Each strain was shown to have a different specificity and/or ability to convert the precursor CBGA into CBDA and/or THCA type products. The comparison of the expressed sequences led to the identification of different mutations, all of them due to SNPs. These SNPs were found to relate to the cannabinoid composition of the inflorescence at maturity and are therefore proposed to have a functional significance. The amount of variation was found to be higher within the CBDAS sequence family than in the THCAS family, suggesting a more recent evolution of THCA-forming enzymes from the CBDAS group. We therefore consider CBDAS as the ancestral type of these synthases. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Novel ion-molecular surface reaction to result in CH3 adsorbates on (111) surface of chemical vapor deposition diamond from ethane and surface anionic sites

    International Nuclear Information System (INIS)

    Komatsu, Shojiro; Okada, Katsuyuki; Shimizu, Yoshiki; Moriyoshi, Yusuke

    2001-01-01

    The existence of CH 3 adsorbates on (111) surface of chemical vapor deposited diamond, which was observed by scanning tunneling microscopy, was explained by the following S N 2 (bimolecular, substitutional, and nucleophilic) type surface reaction; C(s) - +C 2 H 6 ->C(s)-CH 3 +CH 3 - , where C(s) denotes a surface carbon atom. The activation energy was estimated to be 36.78 kcal/mol and the reaction proved to be exothermic with the enthalpy change of -9.250 kcal/mol, according to ab initio molecular orbital calculations at MP2/3-21+G * //RHF/3-21G * level; this result is consistent with typical substrate temperatures, namely about 900 degree C, for chemical vapor deposition of diamond. Charge transfer from the highest occupied molecular orbital of the surface anionic site to the lowest unoccupied molecular orbital of ethane, that is antibonding at the CH 3 - CH 3 bond, has been clearly visualized. A characteristic configuration of an ethane molecule which is associated with an anionic vacant site C(s) - on hydrogenated (111) surface of diamond was also found. [copyright] 2001 American Institute of Physics

  3. Large-eddy simulations of surface-induced turbulence and its implications to the interpretation of eddy-covariance measurements in heterogeneous landscapes

    Science.gov (United States)

    Bohrer, G.; Kenny, W.; Morin, T. H.

    2015-12-01

    We used the RAMS-based Forest Large Eddy Simulations (RAFLES) to evaluate the sensitivity of eddy covariance measurements to land-surface discontinuity. While the sensitivity of eddy covariance measurements to surface heterogeneity is well known, it is, in most cases, no feasible to restrict measurements only to sites where the surface include undisturbed and homogeneous land cover over vast distances around the observation tower. The common approach to handle surface heterogeneity is to use a footprint model and reject observations obtained while the source of observed signal is from a mixture of land-use types, and maintain only measurements where the signal originates mostly from the land-use type of interest. We simulated two scenarios - measurements of fluxes from a small forest-surrounded lake, and measurements near a forest edge. These are two very common scenarios where measurements are bound to be affected by heterogeneity - measurements in small lakes, will, by definition, be in some non-negligible proximity or the lake edge; forest edges are common in any forest, near the forest patch edge but also around disturbed patches and forest gaps. We identify regions where the surface heterogeneity is creating persistent updraft or downdraft. A non-zero mean vertical wind is typically neglected in eddy-covariance measurements. We find that these circulations lead to both vertical and horizontal advection that cannot be easily measured by a single eddy-covariance tower. We identify downwind effects, which are well known, but also quantify the upwind effects. We find that surface-induced circulations may affect the flux measured from a tower up to several canopy heights ahead of the discontinuity. We used the High-resolution Volatile Organic Compound Atmospheric Chemistry in Canopies (Hi-VACC) model to determine the actual measurement footprints throughout the RAFLES domain. We estimated the land-cover type distribution of the source signal at different virtual

  4. Population heterogeneity in the surface expression of Ulex europaeus I-lectin (UEA I)-binding sites in cultured malignant and transformed cells

    Energy Technology Data Exchange (ETDEWEB)

    Virtanen, I.; Lehtonen, E.; Naervaenen, O.; Leivo, I.; Lehto, V.P.

    1985-11-01

    We studied the binding of fluorochrome-coupled Ulex europaeus I-lectin (UEA-I) to cultured malignant cells: all human malignant and transformed cells and also mouse teratocarcinoma cells examined gave a homogeneous cell membrane-type of surface staining only in some of the cells. Such a population heterogeneity appeared to be independent of the cell cycle. Instead, other lectin conjugates used bound homogeneously to all cell. In permeabilized cells, a juxtanuclear reticular staining of the Golgi apparatus was seen in the UEA-I-positive cells. No staining of the pericellular matrix components, produced by malignant cells grown in serum-free culture medium, could be obtained with TRITC-UEA-I. UEA-I-lectin recognized most polypeptides from A8387 fibrosarcoma cells and HeLa cells, metabolically labelled with (/sup 3/H)fucose. Furthermore, surface labelling of these cells with the neuraminidase-galactose oxidase/sodium borohydride method disclosed that both UEA-I and Ricinus communis agglutinin I revealed the same major surface glycoproteins. Results with metabolically labelled cells showed, in addition, that UEA-I-lectin did not bind to secreted glycoproteins produced by A8387 cells and recognized by other lectins. The results indicate that transformed and malignant cells show a distinct population heterogeneity in their expression of some cell surface-associated fucosyl glycoconjugates. The results also suggest that malignant cells can glycosylate their membrane and secreted glycoproteins in a different manner.

  5. Numerical study for Darcy-Forchheimer flow due to a curved stretching surface with Cattaneo-Christov heat flux and homogeneous-heterogeneous reactions

    Directory of Open Access Journals (Sweden)

    Tasawar Hayat

    Full Text Available The current investigation presents Darcy-Forchheimer flow of viscous fluid caused by a curved stretching sheet. Flow for porous space is characterized by Darcy-Forchheimer relation. Concept of homogeneous and heterogeneous reactions is also utilized. Heat transfer for Cattaneo–Christov theory characterizing the feature of thermal relaxation is incorporated. Nonlinear differential systems are derived. Shooting algorithm is employed to construct the solutions for the resulting nonlinear system. The characteristics of various sundry parameters are studied and discussed. Skin friction coefficient and heat transfer rate are numerically described. Keywords: 2D flow, Curved stretching surface, Darcy-Forchheimer porous medium, Cattaneo-Christov heat flux, Homogeneous-heterogeneous reactions

  6. Effect of conditioner load on the polishing pad surface during chemical mechanical planarization process

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Cheol Min; Qin, Hong Yi; Hong, Seok Jun; Jeon, Sang Hyuk; Kulkarni, Atul; Kim, Tae Sun [Sungkyunkwan University, Suwon (Korea, Republic of)

    2016-12-15

    During the Chemical mechanical planarization (CMP), the pad conditioning process can affect the pad surface characteristics. Among many CMP process parameters, the improper applied load on the conditioner arm may have adverse effects on the polyurethane pad. In this work, we evaluated the pad surface properties under the various conditioner arm applied during pad conditioning process. The conditioning pads were evaluated for surface topography, surface roughness parameters such as Rt and Rvk and Material removal rate (MRR) and within-wafer non-uniformity after wafer polishing. We observed that, the pad asperities were collapsed in the direction of conditioner rotation and blocks the pad pores applied conditioner load. The Rvk value and MRR were founded to be in relation with 4 > 1 > 7 kgF conditioner load. Hence, this study shows that, 4 kgF applied load by conditioner is most suitable for the pad conditioning during CMP.

  7. Degradation of Perfluorinated Ether Lubricants on Pure Aluminum Surfaces: Semiempirical Quantum Chemical Modeling

    Science.gov (United States)

    Slaby, Scott M.; Ewing, David W.; Zehe, Michael J.

    1997-01-01

    The AM1 semiempirical quantum chemical method was used to model the interaction of perfluoroethers with aluminum surfaces. Perfluorodimethoxymethane and perfluorodimethyl ether were studied interacting with aluminum surfaces, which were modeled by a five-atom cluster and a nine-atom cluster. Interactions were studied for edge (high index) sites and top (low index) sites of the clusters. Both dissociative binding and nondissociative binding were found, with dissociative binding being stronger. The two different ethers bound and dissociated on the clusters in different ways: perfluorodimethoxymethane through its oxygen atoms, but perfluorodimethyl ether through its fluorine atoms. The acetal linkage of perfluorodimeth-oxymethane was the key structural feature of this molecule in its binding and dissociation on the aluminum surface models. The high-index sites of the clusters caused the dissociation of both ethers. These results are consistent with the experimental observation that perfluorinated ethers decompose in contact with sputtered aluminum surfaces.

  8. Enhancement of Biomass and Lipid Productivities of Water Surface-Floating Microalgae by Chemical Mutagenesis.

    Science.gov (United States)

    Nojima, Daisuke; Ishizuka, Yuki; Muto, Masaki; Ujiro, Asuka; Kodama, Fumito; Yoshino, Tomoko; Maeda, Yoshiaki; Matsunaga, Tadashi; Tanaka, Tsuyoshi

    2017-05-27

    Water surface-floating microalgae have great potential for biofuel applications due to the ease of the harvesting process, which is one of the most problematic steps in conventional microalgal biofuel production. We have collected promising water surface-floating microalgae and characterized their capacity for biomass and lipid production. In this study, we performed chemical mutagenesis of two water surface-floating microalgae to elevate productivity. Floating microalgal strains AVFF007 and FFG039 (tentatively identified as Botryosphaerella sp. and Chlorococcum sp., respectively) were exposed to ethyl methane sulfonate (EMS) or 1-methyl-3-nitro-1-nitrosoguanidine (MNNG), and pale green mutants (PMs) were obtained. The most promising FFG039 PM formed robust biofilms on the surface of the culture medium, similar to those formed by wild type strains, and it exhibited 1.7-fold and 1.9-fold higher biomass and lipid productivities than those of the wild type. This study indicates that the chemical mutation strategy improves the lipid productivity of water surface-floating microalgae without inhibiting biofilm formation and floating ability.

  9. Chemical Controls of Ozone Dry Deposition to the Sea Surface Microlayer

    Science.gov (United States)

    Carpenter, L.; Chance, R.; Tinel, L.; Saint, A.; Sherwen, T.; Loades, D.; Evans, M. J.; Boxhall, P.; Hamilton, J.; Stolle, C.; Wurl, O.; Ribas-Ribas, M.; Pereira, R.

    2017-12-01

    Oceanic dry deposition of atmospheric ozone (O3) is both the largest and most uncertain O3 depositional sink, and is widely acknowledged to be controlled largely by chemical reactions in the sea surface microlayer (SML) involving iodide (I-) and dissolved organic material (DOM). These reactions not only determine how quickly O3 can be removed from the atmosphere, but also result in emissions of trace gases including volatile organic compounds and may constitute a source of secondary organic aerosols to the marine atmosphere. Iodide concentrations at the sea surface vary by approximately an order of magnitude spatially, leading to more than fivefold variation in ozone deposition velocities (and volatile iodine fluxes). Sea-surface temperature is a reasonable predictor of [I-], however two recent parameterisations for surface I- differ by a factor of two at low latitudes. The nature and reactivity of marine DOM to O3 is almost completely unknown, although studies have suggested approximately equivalent chemical control of I- and DOM on ozone deposition. Here we present substantial new measurements of oceanic I- in both bulk seawater and the overlying SML, and show improved estimates of the global sea surface iodide distribution. We also present analyses of water-soluble DOM isolated from the SML and bulk seawater, and corresponding laboratory studies of ozone uptake to bulk and SML seawater, with the aim of characterizing the reactivity of O3 towards marine DOM.

  10. Quantum chemical molecular dynamical investigation of alkyl nitrite photo-dissociated on copper surfaces

    International Nuclear Information System (INIS)

    Wang Xiaojing; Wang Wei; Han Peilin; Kubo, Momoji; Miyamoto, Akira

    2008-01-01

    An accelerated quantum chemical molecular dynamical code 'Colors-Excite' was used to investigate the photolysis of alkyl nitrites series, RONO (R=CH 3 and C(CH 3 ) 3 ) on copper surfaces. Our calculations showed that the photo-dissociated processes are associated with the alkyl substituents of RONO when adsorbed on copper surfaces. For R=CH 3 , a two-step photolysis reaction occurred, yielding diverse intermediate products including RO radical, NO, and HNO, consistent with those reported in gas phase. While for R=C(CH 3 ) 3 , only one-step photolysis reaction occurred and gave intermediate products of RO radical and NO. Consequently, pure RO species were achieved to adsorb on metal surfaces by removing the NO species in photolysis reaction. The detailed photo-dissociated behaviors of RONO on copper surfaces with different alkyl substituents which are uncovered by the present simulation can be extended to explain the diverse dissociative mechanism experimentally observed. The quantum chemical molecular dynamical code 'Colors-Excite' is proved to be highly applicable to the photo-dissociations on metal surfaces

  11. Chemical Separation on Silver Nanorods Surface Monitored by TOF-SIMS

    Directory of Open Access Journals (Sweden)

    Ondrej Petruš

    2017-01-01

    Full Text Available The article introduces a possible chemical separation of a mixture of two compounds on the metal nanorods surface. A silver nanorods surface has been prepared by controlled electrochemical deposition in anodic alumina oxide (AAO template. Rhodamine 6G and 4-aminothiophenol have been directly applied to the sampling point on a silver nanorods surface in an aliquot mixture. The position of the resolved compounds was analysed by time-of-flight secondary ion mass spectrometry (TOF-SIMS which measured the fragments and the molecular ions of the two compounds separated on the silver nanorods surface. Rhodamine 6G has been preconcentrated as 1.5 mm radial from the sampling point while 4-aminothiophenol formed a continuous self-assembled monolayer on the silver nanorods surface with a maximum molecular ion intensity at a distance of 0.5 mm from the sampling point. The separation of the single chemical components from the two-component mixture over the examined silver nanostructured films could clearly be shown. A fast separation on the mentioned nanotextured films was observed (within 50 s. This procedure can be easily integrated into the micro/nanofluidic systems or chips and different detection systems can be applied.

  12. Enhanced compatibility of chemically modified titanium surface with periodontal ligament cells

    International Nuclear Information System (INIS)

    Kado, T.; Hidaka, T.; Aita, H.; Endo, K.; Furuichi, Y.

    2012-01-01

    Highlights: ► Cell-adhesive molecules were covalently immobilized on a Ti surface. ► Immobilized cell-adhesive molecules maintained native function on the Ti surface. ► Immobilized collagen enhanced adhesion of periodontal ligament cells to the Ti. - Abstract: A simple chemical modification method was developed to immobilize cell-adhesive molecules on a titanium surface to improve its compatibility with human periodontal ligament cells (HPDLCs).The polished titanium disk was immersed in 1% (v/v) p-vinylbenzoic acid solution for 2 h to introduce carboxyl groups onto the surface. After rinsing with distilled deionized water, the titanium disk was dipped into 1.47% 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide solution containing 0.1 mg/ml Gly-Arg-Gly-Asp-Ser (GRGDS), human plasma fibronectin (pFN), or type I collagen from calf skin (Col) to covalently immobilize the cell-adhesive molecules on the titanium surface via formation of peptide bonds. X-ray photoelectron spectroscopy analyses revealed that cell-adhesive molecules were successfully immobilized on the titanium surfaces. The Col-immobilized titanium surface revealed higher values regarding nano rough characteristics than the as-polished titanium surface under scanning probe microscopy. The number of HPDLCs attached to both the pFN- and Col-immobilized titanium surfaces was twice that attached to the as-polished titanium surfaces. The cells were larger with the cellular processes that stretched to a greater extent on the pFN- and Col-immobilized titanium surfaces than on the as-polished titanium surface (p < 0.05). HPDLCs on the Col-immobilized titanium surfaces showed more extensive expression of vinculin at the tips of cell projections and more contiguously along the cell outline than on the as-polished, GRGDS-immobilized and pFN-immobilized titanium surfaces. It was concluded that cell-adhesive molecules successfully immobilized on the titanium surface and improved the compatibility of the surface

  13. Characterization of surface topography and chemical composition of mini-implants

    OpenAIRE

    Knop, Luegya Amorim Henriques; Soares, Ana Prates; Shintcovsk, Ricardo Lima; Martins, Lidia Parsekian; Gandini Jr., Luiz Gonzaga

    2015-01-01

    Abstract Aim : To assess the surface topography and chemical composition of three brands of as-received mini-implants (SIN(r), Morelli(r), and Conexao(r)). Methods: Twelve mini-implants of each brand were analyzed by scanning electron microscopy and energy dispersive X-ray (EDX). Results: There was no significant differences among SIN(r), Morelli(r), and Conexao(r) mini-implants comparing their surface topography by visualization of SEM micrographs and analysis of scores. The EDX analysis ...

  14. Research on the surface chemical behavior of uranium metal in hydrogen atmosphere by XPS

    International Nuclear Information System (INIS)

    Fu Xiaoguo; Wang Xiaolin; Yu Yong; Zhao Zhengping

    2001-01-01

    The surface chemical behavior clean uranium metal in hydrogen atmosphere at 100 and 200 degree C is studied by X-ray photoelectron spectroscopy (XPS), respectively. It leads to hydriding reaction when the hydrogen exposure is 12.0 Pa·s, and the U4f 7/2 binding energy of UH 3 is found to be 378.7 eV. The higher temperature (200 degree C) is beneficial to UH 3 formation at the same hydrogen exposures. XPS elemental depth profiles indicate that the distribution of uranium surface layer is UO 2 , UH 3 and U after exposure to 174.2 Pa·s hydrogen

  15. Surface contamination effects on leaf chemical composition in the Atlantic Forest

    International Nuclear Information System (INIS)

    Ferrari, A.A.; Franca, E.J.; Fernandes, E.A.N.; Bacchi, M.A.

    2006-01-01

    The exogenous material that adheres to the leaf surface affects the elemental composition of the plant itself, thereby constituting one of the major error sources in plant analysis. The present work investigated the surface contamination of leaves from the Atlantic Forest. Instrumental neutron activation analysis (INAA) was applied to assess the efficiency of leaf EDTA-washing. Chemical element concentrations were corrected using Sc (soil tracer) since resuspended soil is the main source of contamination in leaves. As a result, EDTA-washing should be used mainly for the evaluation of terrigenous elements, while the Sc-corrected concentrations are considered satisfactory for the other elements. (author)

  16. Re-discovering surface mass spectrometry: chemical mapping from micro to macro

    Energy Technology Data Exchange (ETDEWEB)

    Lloyd, K.G.; O' Keefe, D.P

    2004-06-15

    New developments in electronics, devices, micro-encapsulation, and other areas demand the ability to acquire molecularly-specific information from smaller and smaller features. ToF-SIMS provides molecularly-specific mass spectral data, but sufficient high-mass signal has historically been difficult to obtain from organic/polymeric surfaces in the point-mapping mode of operation. Use of chemometric data reduction methods and the development of heavier primary ion sources enhance and extend the chemical information in the mapping data. Large-area chemical mapping via sample stage rastering has also opened up new applications. This capability allows single-experiment mapping of large or multiple features, provides information on surface uniformity over end-use-relevant areas, and offers potential for combinatorial and other screening applications. Examples of these applications are presented.

  17. Oxygen-vacancy defects on BaTiO3 (001) surface: a quantum chemical study

    International Nuclear Information System (INIS)

    Duque, Carlos; Stashans, Arvids

    2003-01-01

    A quantum-chemical study of technologically important BaTiO 3 crystal and oxygen-vacancy defects on its (001) surface is reported in the present work. The computations are made using a quantum-chemical method developed for periodic systems (crystals), which is based on the Hartree-Fock theory. The atomic rearrangement due to the surface creation is obtained for a pure BaTiO 3 by means of the periodic large unit cell (LUC) model and using an automated geometry optimisation procedure. The same technique is employed to study the electronic and structural properties of the material due to the presence of an O vacancy and F centre (two electrons trapped in an oxygen vacancy). The computations are carried out for both cubic and tetragonal lattices

  18. Chemical changes induced on a TiO2 surface by electron bombardment

    International Nuclear Information System (INIS)

    Vergara, L.I.; Passeggi, M.C.G.; Ferron, J.

    2007-01-01

    We study the TiO 2 (Ti 4+ ) chemical reduction induced by electron bombardment using Auger electron spectroscopy and factor analysis. We show that the electron irradiation of a TiO 2 sample is characterized by the appearance of a lower Ti oxidation state, Ti 2 O 3 (Ti 3+ ), followed by a further deposition of carbon, which is present inevitably in the environment even under ultra-high vacuum conditions. The appearance of C over the surface is found to be a complex mechanism which affects the reduction process through passivation of the electron-induced oxygen desorption and formation of titanium carbide. For very high irradiation doses, we also found that the chemical changes on the surface are stopped due to the deposition of carbon in a graphitic form

  19. The spatial distribution and chemical heterogeneity of clinoptilolite at Yucca Mountain, Nye County, Nevada: Evidence for polygenetic hypogene alteration

    International Nuclear Information System (INIS)

    Livingston, D.E.; Szymanski, J.S.

    1994-01-01

    This part of TRAC's Annual Report for 1993 summarizes the finding of previous reports on the major element geochemistry of zeolitic alteration of the tuffs at Yucca Mountain and updates the status of work. In this report we examine the spatial distribution of zeolites by stratigraphic units and boreholes and the various types of chemical alteration of clinoptilolite indicated by the data reported in Broxton et al. and Bish and Chipera. The purpose is to evaluate the extent of the metasomatic alteration and to test the hypogene hypothesis of Szymanski. In this regard, it is of prime importance to evaluate whether the metasomatic alteration at Yucca Mountain is due to supergene or hypogene processes. In this report, the term open-quotes supergeneclose quotes denotes alteration and mineralization produced by fluids derived directly from atmospheric precipitation and infiltration through the vadose zone, and the term open-quotes hypogeneclose quotes denotes alteration and mineralization produced by fluids from the phreatic zone regardless of their former location or residence time in the Earth's crust. This report begins with a review of previous work on the genesis of zeolites of the Nevada Test Site

  20. Chemically Tuning the Localized Surface Plasmon Resonances of Gold Nanostructure Arrays

    KAUST Repository

    Zheng, Yue Bing

    2009-04-30

    We report on chemical etching of ordered Au nanostructure arrays to continuously tune their localized surface plasmon resonances (LSPR). Real-time extinction spectra were recorded from both Au nanodisks and nanospheres immobilized on glass substrates when immersed in Au etchant. The time-dependent LSPR frequencies, intensities, and bandwidths were studied theoretically with discrete dipole approximations and the Mie solution, and they were correlated with the evolution of the etched Au nanostructures\\' morphology (as examined by atomic force microscopy). Since this chemical etching method can conveniently and accurately tune LSPR, it offers precise control of plasmonic properties and can be useful in applications such as surfaceenhanced Raman spectroscopy and molecular resonance spectroscopy. © 2009 American Chemical Society.

  1. Zonal Articular Cartilage Possesses Complex Mechanical Behavior Spanning Multiple Length Scales: Dependence on Chemical Heterogeneity, Anisotropy, and Microstructure

    Science.gov (United States)

    Wahlquist, Joseph A.

    This work focused on characterizing the mechanical behavior of biological material in physiologically relevant conditions and at sub millimeter length scales. Elucidating the time, length scale, and directionally dependent mechanical behavior of cartilage and other biological materials is critical to adequately recapitulate native mechanosensory cues for cells, create computational models that mimic native tissue behavior, and assess disease progression. This work focused on three broad aspects of characterizing the mechanical behavior of articular cartilage. First, we sought to reveal the causes of time-dependent deformation and variation of mechanical properties with distance from the articular surface. Second, we investigated size dependence of mechanical properties. Finally, we examined material anisotropy of both the calcified and uncalcified tissues of the osteochondral interface. This research provides insight into how articular cartilage serves to support physiologic loads and simultaneously sustain chondrocyte viability.

  2. Chemical disinfection of non-porous inanimate surfaces experimentally contaminated with four human pathogenic viruses.

    OpenAIRE

    Sattar, S. A.; Springthorpe, V. S.; Karim, Y.; Loro, P.

    1989-01-01

    The chemical disinfection of virus-contaminated non-porous inanimate surfaces was investigated using coxsackievirus B3, adenovirus type 5, parainfluenza virus type 3 and coronavirus 229E as representatives of important nosocomial viral pathogens. A 10 microliter amount of the test virus, suspended in either faeces or mucin, was placed onto each stainless steel disk (about 1 cm in diameter) and the inoculum allowed to dry for 1 h under ambient conditions. Sixteen disinfectant formulations were...

  3. Predicting Salmonella Populations from Biological, Chemical, and Physical Indicators in Florida Surface Waters

    OpenAIRE

    McEgan, Rachel; Mootian, Gabriel; Goodridge, Lawrence D.; Schaffner, Donald W.; Danyluk, Michelle D.

    2013-01-01

    Coliforms, Escherichia coli, and various physicochemical water characteristics have been suggested as indicators of microbial water quality or index organisms for pathogen populations. The relationship between the presence and/or concentration of Salmonella and biological, physical, or chemical indicators in Central Florida surface water samples over 12 consecutive months was explored. Samples were taken monthly for 12 months from 18 locations throughout Central Florida (n = 202). Air and wat...

  4. Comparison of reactivity on step and terrace sites of Pd (3 3 2) surface for the dissociative adsorption of hydrogen: A quantum chemical molecular dynamics study

    International Nuclear Information System (INIS)

    Ahmed, Farouq; Nagumo, Ryo; Miura, Ryuji; Ai, Suzuki; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Miyamoto, Akira

    2011-01-01

    The notion of 'active sites' is fundamental to heterogeneous catalysis. However, the exact nature of the active sites, and hence the mechanism by which they act, are still largely a matter of speculation. In this study, we have presented a systematic quantum chemical molecular dynamics (QCMD) calculations for the interaction of hydrogen on different step and terrace sites of the Pd (3 3 2) surface. Finally the dissociative adsorption of hydrogen on step and terrace as well as the influence of surface hydrogen vacancy for the dissociative adsorption of hydrogen has been investigated through QCMD. This is a state-of-the-art method for calculating the interaction of atoms and molecules with metal surfaces. It is found that fully hydrogen covered (saturated) step sites can dissociate hydrogen moderately and that a monovacancy surface is suitable for significant dissociative adsorption of hydrogen. However in terrace site of the surface we have found that dissociation of hydrogen takes place only on Pd sites where the metal atom is not bound to any pre-adsorbed hydrogen atoms. Furthermore, from the molecular dynamics and electronic structure calculations, we identify a number of consequences for the interpretation and modeling of diffusion experiments demonstrating the coverage and directional dependence of atomic hydrogen diffusion on stepped palladium surface.

  5. Heterogeneous nucleation of a droplet pinned at a chemically inhomogeneous substrate: A simulation study of the two-dimensional Ising case

    Science.gov (United States)

    Trobo, Marta L.; Albano, Ezequiel V.; Binder, Kurt

    2018-03-01

    Heterogeneous nucleation is studied by Monte Carlo simulations and phenomenological theory, using the two-dimensional lattice gas model with suitable boundary fields. A chemical inhomogeneity of length b at one boundary favors the liquid phase, while elsewhere the vapor is favored. Switching on the bulk field Hb favoring the liquid, nucleation and growth of the liquid phase starting from the region of the chemical inhomogeneity are analyzed. Three regimes occur: for small fields, Hbbaseline length of the circle-cut sphere droplet would exceed b. For Hbc r i tbaseline has grown to the length b. Assuming that these pinned droplets have a circle cut shape and effective contact angles θeff in the regime θc energy barrier for the "depinning" of the droplet (i.e., growth of θeff to π - θc) vanishes when θeff approaches π/2, in practice only angles θeff up to about θef f m a x≃70 ° were observed. For larger fields (Hb>Hb*), the droplets nucleated at the chemical inhomogeneity grow to the full system size. While the relaxation time for the growth scales as τG∝Hb-1, the nucleation time τN scales as ln τN∝Hb-1. However, the prefactor in the latter relation, as evaluated for our simulations results, is not in accord with an extension of the Volmer-Turnbull theory to two-dimensions, when the theoretical contact angle θc is used.

  6. Directed transport by surface chemical potential gradients for enhancing analyte collection in nanoscale sensors.

    Science.gov (United States)

    Sitt, Amit; Hess, Henry

    2015-05-13

    Nanoscale detectors hold great promise for single molecule detection and the analysis of small volumes of dilute samples. However, the probability of an analyte reaching the nanosensor in a dilute solution is extremely low due to the sensor's small size. Here, we examine the use of a chemical potential gradient along a surface to accelerate analyte capture by nanoscale sensors. Utilizing a simple model for transport induced by surface binding energy gradients, we study the effect of the gradient on the efficiency of collecting nanoparticles and single and double stranded DNA. The results indicate that chemical potential gradients along a surface can lead to an acceleration of analyte capture by several orders of magnitude compared to direct collection from the solution. The improvement in collection is limited to a relatively narrow window of gradient slopes, and its extent strongly depends on the size of the gradient patch. Our model allows the optimization of gradient layouts and sheds light on the fundamental characteristics of chemical potential gradient induced transport.

  7. Surface modification of porous poly(tetrafluoraethylene) film by a simple chemical oxidation treatment

    International Nuclear Information System (INIS)

    Wang Shifang; Li Juan; Suo Jinping; Luo Tianzhi

    2010-01-01

    A simple, inexpensive and environmental chemical treatment process, i.e., treating porous poly(tetrafluoroethylene) (PTFE) films by a mixture of potassium permanganate solution and nitric acid, was proposed to improve the hydrophilicity of PTFE. To evaluate the effectiveness of this strong oxidation treatment, contact angle measurement was performed. The effects of treatment time and temperature on the contact angle of PTFE were studied as well. The results showed that the chemical modification decreased contact angle of as-received PTFE film from 133 ± 3 deg. to 30 ± 4 deg. treated at 100 deg. C for 3 h, effectively converting the hydrophobic PTFE to a hydrophilic PTFE matrix. The changes in chemical structure, surface compositions and crystal structure of PTFE were examined by attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), environmental scanning electron microscopy (ESEM), X-ray diffraction (XRD), respectively. It was found that the F/C atomic ratio decreased from untreated 1.65-0.10 treated by the mixture at 100 deg. C for 3 h. Hydrophilic groups such as carbonyl (C=O) and hydroxyl (-OH) were introduced on the surface of PTFE after treatment. Furthermore, hydrophilic compounds K 0.27 MnO 2 .0.54H 2 O was absorbed on the surface of porous PTFE film. Both the introduction of hydrophilic groups and absorption of hydrophilic compounds contribute to the significantly decreased contact angle of PTFE.

  8. Surface modification of porous poly(tetrafluoraethylene) film by a simple chemical oxidation treatment

    Energy Technology Data Exchange (ETDEWEB)

    Wang Shifang; Li Juan [State Key Laboratory of Mould Technology, Department of Materials Science and Engineering, Huazhong University of Science and Technology, Luo-Yu Road 1037, Wuhan, Hubei 430074 (China); Suo Jinping, E-mail: jpsuo@yahoo.com.cn [State Key Laboratory of Mould Technology, Department of Materials Science and Engineering, Huazhong University of Science and Technology, Luo-Yu Road 1037, Wuhan, Hubei 430074 (China); Luo Tianzhi [State Key Laboratory of Mould Technology, Department of Materials Science and Engineering, Huazhong University of Science and Technology, Luo-Yu Road 1037, Wuhan, Hubei 430074 (China)

    2010-01-15

    A simple, inexpensive and environmental chemical treatment process, i.e., treating porous poly(tetrafluoroethylene) (PTFE) films by a mixture of potassium permanganate solution and nitric acid, was proposed to improve the hydrophilicity of PTFE. To evaluate the effectiveness of this strong oxidation treatment, contact angle measurement was performed. The effects of treatment time and temperature on the contact angle of PTFE were studied as well. The results showed that the chemical modification decreased contact angle of as-received PTFE film from 133 {+-} 3 deg. to 30 {+-} 4 deg. treated at 100 deg. C for 3 h, effectively converting the hydrophobic PTFE to a hydrophilic PTFE matrix. The changes in chemical structure, surface compositions and crystal structure of PTFE were examined by attenuated total reflection-Fourier transform infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), environmental scanning electron microscopy (ESEM), X-ray diffraction (XRD), respectively. It was found that the F/C atomic ratio decreased from untreated 1.65-0.10 treated by the mixture at 100 deg. C for 3 h. Hydrophilic groups such as carbonyl (C=O) and hydroxyl (-OH) were introduced on the surface of PTFE after treatment. Furthermore, hydrophilic compounds K{sub 0.27}MnO{sub 2}.0.54H{sub 2}O was absorbed on the surface of porous PTFE film. Both the introduction of hydrophilic groups and absorption of hydrophilic compounds contribute to the significantly decreased contact angle of PTFE.

  9. Surface Chemical Characterisation of Pyrite Exposed to Acidithiobacillus ferrooxidans and Associated Extracellular Polymeric Substances

    Directory of Open Access Journals (Sweden)

    Sian M. La Vars

    2018-03-01

    Full Text Available A. ferrooxidans and their metabolic products have previously been explored as a viable alternative depressant of pyrite for froth flotation; however, the mechanism by which separation is achieved is not completely understood. Scanning electron microscopy (SEM, photoemission electron microscopy (PEEM, time-of-flight secondary ion mass spectrometry (ToF-SIMS and captive bubble contact angle measurements have been used to examine the surface physicochemical properties of pyrite upon exposure to A. ferrooxidans grown in HH medium at pH 1.8. C K-edge near edge X-ray absorption fine structure (NEXAFS spectra collected from PEEM images indicate hydrophilic lipids, fatty acids and biopolymers are formed at the mineral surface during early exposure. After 168 h, the spectra indicate a shift towards protein and DNA, corresponding to an increase in cell population and biofilm formation on the surface, as observed by SEM. The Fe L-edge NEXAFS show gradual oxidation of the mineral surface from Fe(II sulfide to Fe(III oxyhydroxides. The oxidation of the iron species at the pyrite surface is accelerated in the presence of A. ferrooxidans and extracellular polymeric substances (EPS as compared to HH medium controls. The surface chemical changes induced by the interaction with A. ferrooxidans show a significant decrease in surface hydrophobicity within the first 2 h of exposure. The implications of these findings are the potential use of EPS produced during early attachment of A. ferrooxidans, as a depressant for bioflotation.

  10. Surface studies of niobium chemically polished under conditions for superconducting radio frequency (SRF) cavity production

    Science.gov (United States)

    Tian, Hui; Reece, Charles E.; Kelley, Michael J.; Wang, Shancai; Plucinski, Lukasz; Smith, Kevin E.; Nowell, Matthew M.

    2006-11-01

    The performance of niobium superconducting radiofrequency (SRF) accelerator cavities is strongly impacted by the topmost several nanometers of the active (interior) surface, especially as influenced by the final surface conditioning treatments. We examined the effect of the most commonly employed treatment, buffered chemical polishing (BCP), on polycrystalline niobium sheet over a range of realistic solution flow rates using electron back scatter diffraction (EBSD), stylus profilometry, atomic force microscopy, laboratory XPS and synchrotron (variable photon energy) XPS, seeking to collect statistically significant datasets. We found that the predominant general surface orientation is (1 0 0), but others are also present and at the atomic-level details of surface plane orientation are more complex. The post-etch surface exhibits micron-scale roughness, whose extent does not change with treatment conditions. The outermost surface consists of a few-nm thick layer of niobium pentoxide, whose thickness increases with solution flow rate to a maximum of 1.3-1.4 times that resulting from static solution. The standard deviation of the roughness measurements is ±30% and that of the surface composition is ±5%.

  11. Surface studies of niobium chemically polished under conditions for superconducting radio frequency (SRF) cavity production

    Energy Technology Data Exchange (ETDEWEB)

    Tian Hui [Thomas Jefferson National Accelerator Facility and College of William and Mary (United States); Reece, Charles E. [Thomas Jefferson National Accelerator Facility and College of William and Mary (United States); Kelley, Michael J. [Thomas Jefferson National Accelerator Facility and College of William and Mary (United States)]. E-mail: mkelley@jlab.org; Wang Shancai [Department of Physics, Boston University (United States); Plucinski, Lukasz [Department of Physics, Boston University (United States); Smith, Kevin E. [Department of Physics, Boston University (United States); Nowell, Matthew M. [EDAX TSL (United States)

    2006-11-30

    The performance of niobium superconducting radiofrequency (SRF) accelerator cavities is strongly impacted by the topmost several nanometers of the active (interior) surface, especially as influenced by the final surface conditioning treatments. We examined the effect of the most commonly employed treatment, buffered chemical polishing (BCP), on polycrystalline niobium sheet over a range of realistic solution flow rates using electron back scatter diffraction (EBSD), stylus profilometry, atomic force microscopy, laboratory XPS and synchrotron (variable photon energy) XPS, seeking to collect statistically significant datasets. We found that the predominant general surface orientation is (1 0 0), but others are also present and at the atomic-level details of surface plane orientation are more complex. The post-etch surface exhibits micron-scale roughness, whose extent does not change with treatment conditions. The outermost surface consists of a few-nm thick layer of niobium pentoxide, whose thickness increases with solution flow rate to a maximum of 1.3-1.4 times that resulting from static solution. The standard deviation of the roughness measurements is {+-}30% and that of the surface composition is {+-}5%.

  12. Surface Studies of Niobium Chemically Polished Under Conditions for Superconducting Radio Frequency (SRF) Cavity Production

    Energy Technology Data Exchange (ETDEWEB)

    Tian,H.; Reece, C.; Kelley, M.; Wang, S.; Plucinski, L.; Smith, K.; Nowell, M.

    2006-01-01

    The performance of niobium superconducting radiofrequency (SRF) accelerator cavities is strongly impacted by the topmost several nanometers of the active (interior) surface, especially as influenced by the final surface conditioning treatments. We examined the effect of the most commonly employed treatment, buffered chemical polishing (BCP), on polycrystalline niobium sheet over a range of realistic solution flow rates using electron back scatter diffraction (EBSD), stylus profilometry, atomic force microscopy, laboratory XPS and synchrotron (variable photon energy) XPS, seeking to collect statistically significant datasets. We found that the predominant general surface orientation is (1 0 0), but others are also present and at the atomic-level details of surface plane orientation are more complex. The post-etch surface exhibits micron-scale roughness, whose extent does not change with treatment conditions. The outermost surface consists of a few-nm thick layer of niobium pentoxide, whose thickness increases with solution flow rate to a maximum of 1.3-1.4 times that resulting from static solution. The standard deviation of the roughness measurements is {+-}30% and that of the surface composition is {+-}5%.

  13. The combined action of UV irradiation and chemical treatment on the titanium surface of dental implants

    Energy Technology Data Exchange (ETDEWEB)

    Spriano, Silvia [Politecnico di Torino, Department of Applied Science and Technology, Corso Duca degli Abruzzi, 24-10129 Torino (Italy); Ferraris, Sara, E-mail: sara.ferraris@polito.it [Politecnico di Torino, Department of Applied Science and Technology, Corso Duca degli Abruzzi, 24-10129 Torino (Italy); Bollati, Daniele; Morra, Marco; Cassinelli, Clara [Nobil Bio Ricerche, Portacomaro (Italy); Lorenzon, Giorgio [Centro Chirurgico, Via Mallonetto, 47, 10032, Brandizzo Torino (Italy)

    2015-09-15

    Highlights: • A combined UV irradiation and H{sub 2}O{sub 2} treatment was applied to titanium surfaces. • A thin, homogeneous, not porous, crack-free and bioactive oxide layer was obtained. • The process significantly improves the biological response of titanium surfaces. • A clinical case demonstrates the effectiveness of the proposed treatment. - Abstract: The purpose of this paper is to describe an innovative treatment for titanium dental implants, aimed at faster and more effective osteointegration. The treatment has been performed with the use of hydrogen peroxide, whose action was enhanced by concomitant exposure to a source of ultraviolet light. The developed surface oxide layer was characterized from the physical and chemical points of view. Moreover osteoblast-like SaOS2 cells were cultured on treated and control titanium surfaces and cell behavior investigated by scanning electron microscope observation and gene expression measurements. The described process produces, in only 6 min, a thin, homogeneous, not porous, free of cracks and bioactive (in vitro apatite precipitation) oxide layer. High cell density, peculiar morphology and overexpression of several genes involved with osteogenesis have been observed on modified surfaces. The proposed process significantly improves the biological response of titanium surfaces, and is an interesting solution for the improvement of bone integration of dental implants. A clinical application of the described surfaces, with a 5 years follow-up, is reported in the paper, as an example of the effectiveness of the proposed treatment.

  14. Analysis of Wetting and Contact Angle Hysteresis on Chemically Patterned Surfaces

    KAUST Repository

    Xu, Xianmin; Wang, Xiaoping

    2011-01-01

    Wetting and contact angle hysteresis on chemically patterned surfaces in two dimensionsare analyzed from a stationary phase-field model for immiscible two phase fluids. We first study the sharp-interface limit of the model by the method of matched asymptotic expansions. We then justify the results rigorously by the γ-convergence theory for the related variational problem and study the properties of the limiting minimizers. The results also provide a clear geometric picture of the equilibrium configuration of the interface. This enables us to explicitly calculate the total surface energy for the two phase systems on chemically patterned surfaces with simple geometries, namely the two phase flow in a channel and the drop spreading. By considering the quasi-staticmotion of the interface described by the change of volume (or volume fraction), we can follow the change-of-energy landscape which also reveals the mechanism for the stick-slip motion of the interface and contact angle hysteresis on the chemically patterned surfaces. As the interface passes throughpatterned surfaces, we observe not only stick-slip of the interface and switching of the contact angles but also the hysteresis of contact point and contact angle. Furthermore, as the size of the patternde creases to zero, the stick-slip becomes weaker but the hysteresis becomes stronger in the sense that one observes either the advancing contact angle or the receding contact angle (when the interface ismoving in the opposite direction) without the switching in between. © 2011 Society for Industrial and Applied Mathematics.

  15. Chemical Interaction between U(VI) and Eu(III) ions on a Silica Surface

    International Nuclear Information System (INIS)

    Park, K. K.; Cha, W. S.; Cho, H. R.; Im, H. J.; Jung, E. C.

    2010-01-01

    Understanding the chemical behavior of actinide in groundwater flow is important for assessing the possibility of its migration with water flow in the radioactive waste disposal site. Precipitation/ dissolution in groundwater and adsorption/desorption onto a geological solid surface would determine its migration. The sorption in a geochemical system was expected to be a reaction on a naturally equilibrated surface. However, the construction of a waste disposal facility could disturb this equilibrium state, induce a new reaction environment and affect a nanoscopic surface reaction of actinide. Uranium is ubiquitous in the natural environment and a representative element in a nuclear fuel cycle and in a high level radioactive waste. In oxic environments, it is typically present as uranyl oxocation (UO 2 2+ ), which is easily adsorbed and thereby removed from a solution in the near neutral pH range. This adsorption would form a new surface condition to give an unexpected adsorption behavior for other actinide ions. Eu(III) frequently is used as a chemical analogue of Am(III) and Cm(III) in migration chemistry. The adsorption phenomena has been interpreted with the help of a SCM(surface complexation model). Some spectroscopic techniques such as EPR (Electron Paramagnetic Resonance), IR (InfraRed), EXAFS (Extended X-ray Absorption Fine Structure) and TRLFS (Time Resolved Laser Fluorescence Spectroscopy) have been used for the identification of a modeled adsorbing species. In the case of fluorescence elements, TRLFS has advantages over other techniques for its high sensitivity being proportional to laser source intensity and good selectivity depending on specific transition and lifetime. This technique can be applied to a species on a solid surface not absorbing light such as silica. U(VI) and Eu(III) have fluorescente properties reflecting their coordination structure. In this study, the interaction between U(VI) and Eu(III) on a silica surface was studied by a

  16. Chemical and toxicologic assessment of organic contaminants in surface water using passive samplers

    Science.gov (United States)

    Alvarez, D.A.; Cranor, W.L.; Perkins, S.D.; Clark, R.C.; Smith, S.B.

    2008-01-01

    Passive sampling methodologies were used to conduct a chemical and toxicologic assessment of organic contaminants in the surface waters of three geographically distinct agricultural watersheds. A selection of current-use agrochemicals and persistent organic pollutants, including polycyclic aromatic hydrocarbons, polychlorinated biphenyls, and organochlorine pesticides, were targeted using the polar organic chemical integrative sampler (POCIS) and the semipermeable membrane device passive samplers. In addition to the chemical analysis, the Microtox assay for acute toxicity and the yeast estrogen screen (YES) were conducted as potential assessment tools in combination with the passive samplers. During the spring of 2004, the passive samplers were deployed for 29 to 65 d at Leary Weber Ditch, IN; Morgan Creek, MD; and DR2 Drain, WA. Chemical analysis of the sampler extracts identified the agrochemicals predominantly used in those areas, including atrazine, simazine, acetochlor, and metolachlor. Other chemicals identified included deethylatrazine and deisopropylatrazine, trifluralin, fluoranthene, pyrene, cis- and trans-nonachlor, and pentachloroanisole. Screening using Microtox resulted in no acutely toxic samples. POCIS samples screened by the YES assay failed to elicit a positive estrogenic response. Copyright ?? 2008 by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America. All rights reserved.

  17. Chemically immobilised carbon nanotubes on silicon: Stable surfaces for aqueous electrochemistry

    International Nuclear Information System (INIS)

    Flavel, Benjamin S.; Garrett, David J.; Lehr, Joshua; Shapter, Joseph G.; Downard, Alison J.

    2010-01-01

    Diazonium ion chemistry has been used to electrochemically graft aminophenyl layers onto p-type silicon (1 0 0) substrates. A condensation reaction was used to immobilise single-walled carbon nanotubes with high carboxylic acid functionality directly to this layer. Electrochemical monitoring of the aminophenyl groups confirmed the formation of an amide linkage between the single-walled carbon nanotubes and the aminophenyl layer. The carbon nanotube electrode showed high stability and good electrochemical performance in aqueous solution. At moderate scan rates the Ru(NH 3 ) 6 +3/+2 couple exhibited quasi-reversible electron transfer kinetics with a standard heterogenous rate constant of 1.2 x 10 -3 cm s -1 at the covalently-linked carbon nanotube surface. The electrode thus combines the advantages of a silicon substrate for easy integration into sophisticated electrical and electronic devices, carbon nanotubes for desirable electrochemical properties, and stability in aqueous medium for future applications in environmental sensing.

  18. Surface-treated commercially pure titanium for biomedical applications: Electrochemical, structural, mechanical and chemical characterizations

    International Nuclear Information System (INIS)

    Ogawa, Erika S.; Matos, Adaias O.; Beline, Thamara; Marques, Isabella S.V.; Sukotjo, Cortino; Mathew, Mathew T.; Rangel, Elidiane C.; Cruz, Nilson C.; Mesquita, Marcelo F.; Consani, Rafael X.

    2016-01-01

    Modified surfaces have improved the biological performance and biomechanical fixation of dental implants compared to machined (polished) surfaces. However, there is a lack of knowledge about the surface properties of titanium (Ti) as a function of different surface treatment. This study investigated the role of surface treatments on the electrochemical, structural, mechanical and chemical properties of commercial pure titanium (cp-Ti) under different electrolytes. Cp-Ti discs were divided into 6 groups (n = 5): machined (M—control); etched with HCl + H_2O_2 (Cl), H_2SO_4 + H_2O_2 (S); sandblasted with Al_2O_3 (Sb), Al_2O_3 followed by HCl + H_2O_2 (SbCl), and Al_2O_3 followed by H_2SO_4 + H_2O_2 (SbS). Electrochemical tests were conducted in artificial saliva (pHs 3; 6.5 and 9) and simulated body fluid (SBF—pH 7.4). All surfaces were characterized before and after corrosion tests using atomic force microscopy, scanning electron microscopy, energy dispersive microscopy, X-ray diffraction, surface roughness, Vickers microhardness and surface free energy. The results indicated that Cl group exhibited the highest polarization resistance (R_p) and the lowest capacitance (Q) and corrosion current density (I_c_o_r_r) values. Reduced corrosion stability was noted for the sandblasted groups. Acidic artificial saliva decreased the R_p values of cp-Ti surfaces and produced the highest I_c_o_r_r values. Also, the surface treatment and corrosion process influenced the surface roughness, Vickers microhardness and surface free energy. Based on these results, it can be concluded that acid-etching treatment improved the electrochemical stability of cp-Ti and all treated surfaces behaved negatively in acidic artificial saliva. - Highlights: • Characterization of surface treatment for biomedical implants was investigated. • Sandblasting reduced the corrosion stability of cp-Ti. • Acid etching is a promising dental implants surface treatment.

  19. Surface-treated commercially pure titanium for biomedical applications: Electrochemical, structural, mechanical and chemical characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Ogawa, Erika S.; Matos, Adaias O.; Beline, Thamara [Department of Prosthodontics and Periodontology, Piracicaba Dental School, University of Campinas (UNICAMP), Av Limeira, 901, Piracicaba, São Paulo 13414-903 (Brazil); IBTN/Br—Institute of Biomaterials, Tribocorrosion and Nanomedicine—Brazilian Branch (Brazil); Marques, Isabella S.V. [Department of Prosthodontics and Periodontology, Piracicaba Dental School, University of Campinas (UNICAMP), Av Limeira, 901, Piracicaba, São Paulo 13414-903 (Brazil); Sukotjo, Cortino [Department of Restorative Dentistry, University of Illinois at Chicago, College of Dentistry, 801 S Paulina, Chicago, IL, USA, 60612 (United States); IBTN—Institute of Biomaterials, Tribocorrosion and Nanomedicine (United States); Mathew, Mathew T. [IBTN—Institute of Biomaterials, Tribocorrosion and Nanomedicine (United States); Department of Biomedical Sciences, University of Illinois, College of Medicine at Rockford, 1601 Parkview Avenue, Rockford, IL, USA, 61107 (United States); Rangel, Elidiane C.; Cruz, Nilson C. [IBTN/Br—Institute of Biomaterials, Tribocorrosion and Nanomedicine—Brazilian Branch (Brazil); Laboratory of Technological Plasmas, Engineering College, Univ Estadual Paulista (UNESP), Av Três de Março, 511, Sorocaba, São Paulo 18087-180 (Brazil); Mesquita, Marcelo F.; Consani, Rafael X. [Department of Prosthodontics and Periodontology, Piracicaba Dental School, University of Campinas (UNICAMP), Av Limeira, 901, Piracicaba, São Paulo 13414-903 (Brazil); and others

    2016-08-01

    Modified surfaces have improved the biological performance and biomechanical fixation of dental implants compared to machined (polished) surfaces. However, there is a lack of knowledge about the surface properties of titanium (Ti) as a function of different surface treatment. This study investigated the role of surface treatments on the electrochemical, structural, mechanical and chemical properties of commercial pure titanium (cp-Ti) under different electrolytes. Cp-Ti discs were divided into 6 groups (n = 5): machined (M—control); etched with HCl + H{sub 2}O{sub 2} (Cl), H{sub 2}SO{sub 4} + H{sub 2}O{sub 2} (S); sandblasted with Al{sub 2}O{sub 3} (Sb), Al{sub 2}O{sub 3} followed by HCl + H{sub 2}O{sub 2} (SbCl), and Al{sub 2}O{sub 3} followed by H{sub 2}SO{sub 4} + H{sub 2}O{sub 2} (SbS). Electrochemical tests were conducted in artificial saliva (pHs 3; 6.5 and 9) and simulated body fluid (SBF—pH 7.4). All surfaces were characterized before and after corrosion tests using atomic force microscopy, scanning electron microscopy, energy dispersive microscopy, X-ray diffraction, surface roughness, Vickers microhardness and surface free energy. The results indicated that Cl group exhibited the highest polarization resistance (R{sub p}) and the lowest capacitance (Q) and corrosion current density (I{sub corr}) values. Reduced corrosion stability was noted for the sandblasted groups. Acidic artificial saliva decreased the R{sub p} values of cp-Ti surfaces and produced the highest I{sub corr} values. Also, the surface treatment and corrosion process influenced the surface roughness, Vickers microhardness and surface free energy. Based on these results, it can be concluded that acid-etching treatment improved the electrochemical stability of cp-Ti and all treated surfaces behaved negatively in acidic artificial saliva. - Highlights: • Characterization of surface treatment for biomedical implants was investigated. • Sandblasting reduced the corrosion stability of cp

  20. Relationship of CD86 surface marker expression and cytotoxicity on dendritic cells exposed to chemical allergen

    International Nuclear Information System (INIS)

    Hulette, Ben C.; Ryan, Cindy A.; Gildea, Lucy A.; Gerberick, G. Frank

    2005-01-01

    Human peripheral blood-derived dendritic cells (DC) respond to a variety of chemical allergens by up-regulating expression of the co-stimulatory molecule CD86. It has been postulated that this measure might provide the basis for an in vitro alternative approach for the identification of skin sensitizing chemicals. We recently reported that DC, exposed in culture to the highest non-cytotoxic concentrations of various chemical allergens, displayed marginal up-regulation of membrane CD86 expression; the interpretation being that such changes were insufficiently sensitive for the purposes of hazard identification. For the work presented here, immature DC were derived from human monocytes and treated with the chemical allergens 2,4-dinitrobenzenesulfonic acid (DNBS), nickel sulfate (NiSO 4 ), p-phenylenediamine (PPD), Bandrowski's base (BB), hydroquinone (HQ) and propyl gallate (PG) for 48 h at concentrations which induced both no to slight to moderate cytotoxicity. For comparison, DC were treated with the irritants sodium dodecyl sulfate (SDS), benzoic acid (BA), and benzalkonium chloride (BZC) at concentrations resulting in comparable levels of cytotoxicity. CD86 expression, as measured by flow cytometry, was consistently up-regulated (ranging from 162 to 386% control) on DC treated with concentrations of chemical allergens that induced approximately 10-15% cytotoxicity. The irritants BA and BZC did not induce up-regulation of CD86 expression when tested at concentrations that induced similar levels of cytotoxicity. SDS, however, up-regulated CD86 expression to 125-138% of control in 2/4 preparations when tested at concentrations which induced similar toxicity. Our results confirm that chemical allergens up-regulate CD86 expression on blood-derived DC and illustrate further that up-regulation of CD86 surface marker expression is more robust when DC are treated with concentrations of chemical allergen that induce slight to moderate cytotoxicity

  1. Chemical modifications of Au/SiO2 template substrates for patterned biofunctional surfaces.

    Science.gov (United States)

    Briand, Elisabeth; Humblot, Vincent; Landoulsi, Jessem; Petronis, Sarunas; Pradier, Claire-Marie; Kasemo, Bengt; Svedhem, Sofia

    2011-01-18

    The aim of this work was to create patterned surfaces for localized and specific biochemical recognition. For this purpose, we have developed a protocol for orthogonal and material-selective surface modifications of microfabricated patterned surfaces composed of SiO(2) areas (100 μm diameter) surrounded by Au. The SiO(2) spots were chemically modified by a sequence of reactions (silanization using an amine-terminated silane (APTES), followed by amine coupling of a biotin analogue and biospecific recognition) to achieve efficient immobilization of streptavidin in a functional form. The surrounding Au was rendered inert to protein adsorption by modification by HS(CH(2))(10)CONH(CH(2))(2)(OCH(2)CH(2))(7)OH (thiol-OEG). The surface modification protocol was developed by testing separately homogeneous SiO(2) and Au surfaces, to obtain the two following results: (i) SiO(2) surfaces which allowed the grafting of streptavidin, and subsequent immobilization of biotinylated antibodies, and (ii) Au surfaces showing almost no affinity for the same streptavidin and antibody solutions. The surface interactions were monitored by quartz crystal microbalance with dissipation monitoring (QCM-D), and chemical analyses were performed by polarization modulation-reflexion absorption infrared spectroscopy (PM-RAIRS) and X-ray photoelectron spectroscopy (XPS) to assess the validity of the initial orthogonal assembly of APTES and thiol-OEG. Eventually, microscopy imaging of the modified Au/SiO(2) patterned substrates validated the specific binding of streptavidin on the SiO(2)/APTES areas, as well as the subsequent binding of biotinylated anti-rIgG and further detection of fluorescent rIgG on the functionalized SiO(2) areas. These results demonstrate a successful protocol for the preparation of patterned biofunctional surfaces, based on microfabricated Au/SiO(2) templates and supported by careful surface analysis. The strong immobilization of the biomolecules resulting from the described

  2. Structure and composition of chemically prepared and vacuum annealed InSb(0 0 1) surfaces

    International Nuclear Information System (INIS)

    Tereshchenko, O.E.

    2006-01-01

    The InSb(0 0 1) surfaces chemically treated in HCl-isopropanol solution and annealed in vacuum were studied by means of X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and electron energy-loss spectroscopy (EELS). The HCl-isopropanol treatment removes indium and antimony oxides and leaves on the surface about 3 ML of physisorbed overlayer, containing indium chlorides and small amounts of antimony, which can be thermally desorbed at 230 deg. C. The residual carbon contaminations were around 0.2-0.4 ML and consisted of the hydrocarbon molecules. These hydrocarbon contaminations were removed from the surface together with the indium chlorides and antimony overlayer. With increased annealing temperature, a sequence of reconstructions were identified by LEED: (1 x 1), (1 x 3), (4 x 3), and (4 x 1)/c(8 x 2), in the order of decreasing Sb/In ratio. The structural properties of chemically prepared InSb(0 0 1) surface were found to be similar to those obtained by decapping of Sb-capped epitaxial layers

  3. Surface-dependent chemical equilibrium constants and capacitances for bare and 3-cyanopropyldimethylchlorosilane coated silica nanochannels.

    Science.gov (United States)

    Andersen, Mathias Bækbo; Frey, Jared; Pennathur, Sumita; Bruus, Henrik

    2011-01-01

    We present a combined theoretical and experimental analysis of the solid-liquid interface of fused-silica nanofabricated channels with and without a hydrophilic 3-cyanopropyldimethylchlorosilane (cyanosilane) coating. We develop a model that relaxes the assumption that the surface parameters C(1), C(2), and pK(+) are constant and independent of surface composition. Our theoretical model consists of three parts: (i) a chemical equilibrium model of the bare or coated wall, (ii) a chemical equilibrium model of the buffered bulk electrolyte, and (iii) a self-consistent Gouy-Chapman-Stern triple-layer model of the electrochemical double layer coupling these two equilibrium models. To validate our model, we used both pH-sensitive dye-based capillary filling experiments as well as electro-osmotic current-monitoring measurements. Using our model we predict the dependence of ζ potential, surface charge density, and capillary filling length ratio on ionic strength for different surface compositions, which can be difficult to achieve otherwise. Copyright © 2010 Elsevier Inc. All rights reserved.

  4. Molecular Dynamics Study of Thermally Augmented Nanodroplet Motion on Chemical Energy Induced Wettability Gradient Surfaces.

    Science.gov (United States)

    Chakraborty, Monojit; Chowdhury, Anamika; Bhusan, Richa; DasGupta, Sunando

    2015-10-20

    Droplet motion on a surface with chemical energy induced wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics of molecular movement near the solid-liquid interface including the contact line friction. The simulations mimic experiments in a comprehensive manner wherein microsized droplets are propelled by the surface wettability gradient against forces opposed to motion. The liquid-wall Lennard-Jones interaction parameter and the substrate temperature are varied to explore their effects on the three-phase contact line friction coefficient. The contact line friction is observed to be a strong function of temperature at atomistic scales, confirming their experimentally observed inverse functionality. Additionally, the MD simulation results are successfully compared with those from an analytical model for self-propelled droplet motion on gradient surfaces.

  5. Simple quantification of surface carboxylic acids on chemically oxidized multi-walled carbon nanotubes

    Science.gov (United States)

    Gong, Hyejin; Kim, Seong-Taek; Lee, Jong Doo; Yim, Sanggyu

    2013-02-01

    The surface of multi-walled carbon nanotube (MWCNT) was chemically oxidized using nitric acid and sulfuric-nitric acid mixtures. Thermogravimetric analysis, transmission electron microscopy and infrared spectroscopy revealed that the use of acid mixtures led to higher degree of oxidation. More quantitative identification of surface carboxylic acids was carried out using X-ray photoelectron spectroscopy (XPS) and acid-base titration. However, these techniques are costly and require very long analysis times to promptly respond to the extent of the reaction. We propose a much simpler method using pH measurements and pre-determined pKa value in order to estimate the concentration of carboxylic acids on the oxidized MWCNT surfaces. The results from this technique were consistent with those obtained from XPS and titration, and it is expected that this simple quantification method can provide a cheap and fast way to monitor and control the oxidation reaction of MWCNT.

  6. The XPS study of physical and chemical forms of neptunium group on the surface of minerals

    Directory of Open Access Journals (Sweden)

    Teterin Anton Yu.

    2010-01-01

    Full Text Available The sorption behavior and the physical and chemical forms of neptunium on the surface of minerals of the two chlorate samples, biotite and kaolin, with different contents of Fe(II was studied. The liquid-liquid extraction and the X-ray photoelectron spectroscopy were employed to identify the valence forms of neptunium. On the basis of the obtained data the quantitative elemental composition of the surface of the studied minerals, as well as the ionic composition of the formed neptunium complexes was determined. It was shown that the Np(IV and Np(VI containing compounds did not form, while the complexes Np(VO+ -hydroxyl did form on the surface. The oxygen ions bonded with iron and oxygen belonging to water and/or of carboxyl were suggested to be present in the equatorial plane of the neptunyl group NpO+.

  7. Chemical characteristics of fulvic acids from Arctic surface waters: Microbial contributions and photochemical transformations

    Science.gov (United States)

    Cory, Rose M.; McKnight, Diane M.; Chin, Yu-Ping; Miller, Penney; Jaros, Chris L.

    2007-12-01

    Dissolved organic matter (DOM) originating from the extensive Arctic tundra is an important source of organic material to the Arctic Ocean. Chemical characteristics of whole water dissolved organic matter (DOM) and the fulvic acid fraction of DOM were studied from nine surface waters in the Arctic region of Alaska to gain insight into the extent of microbial and photochemical transformation of this DOM. All the fulvic acids had a strong terrestrial/higher plant signature, with uniformly depleted δ13C values of -28‰, and low fluorescence indices around 1.3. Several of the measured chemical characteristics of the Arctic fulvic acids were related to water residence time, a measure of environmental exposure to sunlight and microbial activity. For example, fulvic acids from Arctic streams had higher aromatic contents, higher specific absorbance values, lower nitrogen content, lower amino acid-like fluorescence and were more depleted in δ15N relative to fulvic acids isolated from lake and coastal surface waters. The differences in the nitrogen signature between the lake and coastal fulvic acids compared to the stream fulvic acids indicated that microbial contributions to the fulvic acid pool increased with increasing water residence time. The photo-lability of the fulvic acids was positively correlated with water residence time, suggesting that the fulvic acids isolated from source waters with larger water residence times (i.e., lakes and coastal waters) have experienced greater photochemical degradation than the stream fulvic acids. In addition, many of the initial differences in fulvic acid chemical characteristics across the gradient of water residence times were consistent with changes observed in fulvic acid photolysis experiments. Taken together, results from this study suggest that photochemical processes predominantly control the chemical character of fulvic acids in Arctic surface waters. Our findings show that hydrologic transport in addition to

  8. Surface functional group characterization using chemical derivatization X-ray photoelectron spectroscopy (CD-XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Jagst, Eda

    2011-03-18

    Chemical derivatization - X-ray photolectron spectroscopy (CD-XPS) was applied successfully in order to determine different functional groups on thin film surfaces. Different amino group carrying surfaces, prepared by spin coating, self-assembly and plasma polymerization, were successfully investigated by (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Amino groups were derivatized with the widely used primary amino group tags, pentafluorobenzaldehyde (PFB) and 4-(trifluoromethyl)-benzaldehyde (TFBA), prior to analysis. Primary amino group quantification was then carried out according to the spectroscopical data. Self-assembled monolayers (SAMs) of different terminal groups were prepared and investigated with XPS and spectra were compared with reference surfaces. An angle resolved NEXAFS measurement was applied to determine the orientation of SAMs. Plasma polymerized allylamine samples with different duty cycle, power and pressure values were prepared in order to study the effects of external plasma parameters on the primary amino group retention. CD-XPS was used to quantify the amino groups and experiments show, that the milder plasma conditions promote the retention of amino groups originating from the allylamine monomer. An interlaboratory comparison of OH group determination on plasma surfaces of polypropylene treated with oxygen plasma, was studied. The surfaces were investigated with XPS and the [OH] amount on the surfaces was calculated. (orig.)

  9. Chemical modification of silicon surfaces for the application in soft lithography

    Energy Technology Data Exchange (ETDEWEB)

    Gilles, S.

    2007-05-15

    The objective of this work was to chemically modify silicon surfaces by anchoring functional molecules. A major part was devoted to the investigation and improvement of the self-assembly process of organosilanes on oxidized silicon surfaces. The formation of a release agent layer with perfluorinated alkylsilanes was performed by vapor phase deposition. An advanced vapor phase deposition device, called CASINO device, was built to enhance the qualities of the thin films. It is possible to carry out cleaning and silanization in a closed chamber without exposing the samples to air in between. Thereby surface contamination is avoided. Experiments with the new device were performed following examples given in literature. To optimize the silanization process in the CASINO device, it was also planned to apply heat treatment of the sample during or after the deposition process. Surface layers of thiolterminated and of aminoterminated molecules were investigated as adhesive layer for the linkage of metal structures to silicon surfaces, e.g. Shuttle-Transfer Printing with gold crossbar electrodes. First, thiol- and aminoterminated organosilane SAMs were tested as adhesive layers for gold. The surface modified with thiolterminated silane molecules was further examined. Adhesion was promoted only after heat treatment of a thiolmodified silicon substrate with a gold layer on top. (orig.)

  10. PROCESSES PROCEEDING ON CONCRETE COATING SURFACES IN CASE OF THEIR CHEMICAL PROTECTION AGAINST WINTER SLIPPERINESS

    Directory of Open Access Journals (Sweden)

    M. K. Pshembaev

    2016-01-01

    Full Text Available Concrete coatings of road traffic highways along with operational loadings caused by flow of traffic are subjected to weather and climate impacts. These are the following impacts: changes in temperature and air humidity, solar radiation,surface wind speed which is participating in formation of active heat-and-mass transfer in a surface layer of the concrete coating. One of the most complicated and important periods in the road traffic highway operation is so called transitional nature period (from Summer to Autumn and from Winter to Spring. These periods are accompanied by intensive rain and snow fall and possible formation of ice loading on the surface of cement and concrete coatings. These impacts significantly deteriorate friction properties of road pavement (friction factor φ is decreased up to 0.4 and less that can be a prerequisite to creation of various accident situations due to sharp increase in braking distance. For example, while having dry pavement the friction factor φ is equal to 0.80–0.85, and during icy condition of the road the factor φ constitutes 0.08–0.15 that consequently entails an increase in braking distance from 7.5 up to 20.0 m and more. It is quite possible that ice layer appears on the surface of concrete coatings when road traffic highways are used in winter season. Various methods are applicable to remove ice from the surface they can include also ice-melting chemicals and sodium chloride NaCl in particular. The chemical decreases freezing temperature of the formed brine and causes ice melting at negative temperature. Processes of NaCl dissolution and ice melting have an endothermic character, in other words these processes are accompanied by heat ingress and due to it temperature is sharply decreasing in the surface layer of the concrete coating which is under the melting ice and in this case phenomenon of thermal shock is observed.

  11. Surface chemical and biological characterization of flax fabrics modified with silver nanoparticles for biomedical applications

    International Nuclear Information System (INIS)

    Paladini, F.; Picca, R.A.; Sportelli, M.C.; Cioffi, N.; Sannino, A.; Pollini, M.

    2015-01-01

    Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications and wound healing. This work aims to investigate the surface chemical composition and biological properties of silver nanoparticle-modified flax substrates. Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution, by means of a large-scale apparatus. The silver-coated materials were characterized through X-ray Photoelectron Spectroscopy (XPS), to assess the surface elemental composition of the coatings, and the chemical speciation of both the substrate and the antibacterial nanophases. A detailed investigation of XPS high resolution regions outlined that silver is mainly present on nanophases' surface as Ag 2 O. Scanning electron microscopy and energy dispersive X-ray spectroscopy were also carried out, in order to visualize the distribution of silver particles on the fibers. The materials were also characterized from a biological point of view in terms of antibacterial capability and cytotoxicity. Agar diffusion tests and bacterial enumeration tests were performed on Gram positive and Gram negative bacteria, namely Staphylococcus aureus and Escherichia coli. In vitro cytotoxicity tests were performed through the extract method on murine fibroblasts in order to verify if the presence of the silver coating affected the cellular viability and proliferation. Durability of the coating was also assessed, thus confirming the successful scaling up of the process, which will be therefore available for large-scale production. - Highlights: • Silver nanophases are increasingly used as effective antibacterial agent for biomedical applications. • Silver coatings were deposited on textiles through the in situ photo-reduction of a silver solution. • Flax fabrics were characterized from a biological and surface chemical point of view. • Scaling up of the process was confirmed

  12. Biomimetic hydrophobic surface fabricated by chemical etching method from hierarchically structured magnesium alloy substrate

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yan; Yin, Xiaoming; Zhang, Jijia [Key Laboratory of Bionic Engineering (Ministry of Education), Jilin University, Changchun 130022 (China); Wang, Yaming [Institute for Advanced Ceramics, Harbin Institute of Technology, Harbin 150001 (China); Han, Zhiwu, E-mail: zwhan@jlu.edu.cn [Key Laboratory of Bionic Engineering (Ministry of Education), Jilin University, Changchun 130022 (China); Ren, Luquan [Key Laboratory of Bionic Engineering (Ministry of Education), Jilin University, Changchun 130022 (China)

    2013-09-01

    As one of the lightest metal materials, magnesium alloy plays an important role in industry such as automobile, airplane and electronic product. However, magnesium alloy is hindered due to its high chemical activity and easily corroded. Here, inspired by typical plant surfaces such as lotus leaves and petals of red rose with super-hydrophobic character, the new hydrophobic surface is fabricated on magnesium alloy to improve anti-corrosion by two-step methodology. The procedure is that the samples are processed by laser first and then immersed and etched in the aqueous AgNO{sub 3} solution concentrations of 0.1 mol/L, 0.3 mol/L and 0.5 mol/L for different times of 15 s, 40 s and 60 s, respectively, finally modified by DTS (CH{sub 3}(CH{sub 2}){sub 11}Si(OCH{sub 3}){sub 3}). The microstructure, chemical composition, wettability and anti-corrosion are characterized by means of SEM, XPS, water contact angle measurement and electrochemical method. The hydrophobic surfaces with microscale crater-like and nanoscale flower-like binary structure are obtained. The low-energy material is contained in surface after DTS treatment. The contact angles could reach up to 138.4 ± 2°, which hydrophobic property is both related to the micro–nano binary structure and chemical composition. The results of electrochemical measurements show that anti-corrosion property of magnesium alloy is improved. Furthermore, our research is expected to create some ideas from natural enlightenment to improve anti-corrosion property of magnesium alloy while this method can be easily extended to other metal materials.

  13. 47nm alumina–water nanofluid flow within boundary layer formed on upper horizontal surface of paraboloid of revolution in the presence of quartic autocatalysis chemical reaction

    Directory of Open Access Journals (Sweden)

    Isaac Lare Animasaun

    2016-09-01

    Full Text Available In this article, a modified version of buoyancy-induced model is considered to investigate the flow of 47nm alumina–water nanofluid along an upper surface of horizontal paraboloid of revolution in the presence of nonlinear thermal radiation, Lorentz force and quartic autocatalysis kind of homogeneous heterogeneous chemical reaction. The case of unequal diffusion coefficients of reactant A (bulk fluid and B (high concentration of catalyst at the surface in the presence of bioconvection is considered. Governing equation suitable to unravel the thermophoresis which takes place within the boundary layer is presented. Since chemical reactant B is of higher concentration at the surface more than the concept described as cubic autocatalytic, the suitable schemes are herein described as isothermal quartic autocatalytic reaction and first order reaction. The viscosity and thermal conductivity are assumed to vary with volume fraction (ϕ and suitable models for the case 0%⩽ϕ⩽0.8% are adopted. The transformed governing equations are solved numerically using Runge–Kutta fourth order along with shooting technique (RK4SM. Good agreement is obtained between the solutions of RK4SM and MATLAB bvp5c for a limiting case. The influence of some pertinent parameters on velocity, temperature, diffusion of motile microorganism, concentration of bulk fluid and catalyst is illustrated graphically and discussed.

  14. Theoretical studies of surface enhanced hyper-Raman spectroscopy: The chemical enhancement mechanism

    Science.gov (United States)

    Valley, Nicholas; Jensen, Lasse; Autschbach, Jochen; Schatz, George C.

    2010-08-01

    Hyper-Raman spectra for pyridine and pyridine on the surface of a tetrahedral 20 silver atom cluster are calculated using static hyperpolarizability derivatives obtained from time dependent density functional theory. The stability of the results with respect to choice of exchange-correlation functional and basis set is verified by comparison with experiment and with Raman spectra calculated for the same systems using the same methods. Calculated Raman spectra were found to match well with experiment and previous theoretical calculations. The calculated normal and surface enhanced hyper-Raman spectra closely match experimental results. The chemical enhancement factors for hyper-Raman are generally larger than for Raman (102-104 versus 101-102). Integrated hyper-Raman chemical enhancement factors are presented for a set of substituted pyridines. A two-state model is developed to predict these chemical enhancement factors and this was found to work well for the majority of the molecules considered, providing a rationalization for the difference between hyper-Raman and Raman enhancement factors.

  15. Surface functionalization of solid state ultra-high molecular weight polyethylene through chemical grafting

    Science.gov (United States)

    Sherazi, Tauqir A.; Rehman, Tayyiba; Naqvi, Syed Ali Raza; Shaikh, Ahson Jabbar; Shahzad, Sohail Anjum; Abbas, Ghazanfar; Raza, Rizwan; Waseem, Amir

    2015-12-01

    The surface of ultra-high molecular weight polyethylene (UHMWPE) powder was functionalized with styrene using chemical grafting technique. The grafting process was initiated through radical generation on base polymer matrix in the solid state by sodium thiosulfate, while peroxides formed at radical sites during this process were dissociated by ceric ammonium nitrate. Various factors were optimized and reasonably high level of monomer grafting was achieved, i.e., 15.6%. The effect of different acids as additive and divinyl benzene (DVB) as a cross-linking agent was also studied. Post-grafting sulfonation was conducted to introduce the ionic moieties to the grafted polymer. Ion-exchange capacity (IEC) was measured experimentally and is found to be 1.04 meq g-1, which is in close agreement with the theoretical IEC values. The chemical structure of grafted and functionalized polymer was characterized by attenuated total reflection infrared spectroscopy (ATR-FTIR) and thermal properties were investigated by thermo gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Thermal analysis depicts that the presence of radicals on the polymer chain accelerates the thermal decomposition process. The results signify that the chemical grafting is an effective tool for substantial surface modification and subsequent functionalization of polyethylene.

  16. Study of heat-moisture treatment of potato starch granules by chemical surface gelatinization.

    Science.gov (United States)

    Bartz, Josiane; da Rosa Zavareze, Elessandra; Dias, Alvaro Renato Guerra

    2017-08-01

    Native potato starch was subjected to heat-moisture treatment (HMT) at 12%, 15%, 18%, 21%, and 24% of moisture content at 110 °C for 1 h, and the effects on morphology, structure, and thermal and physicochemical properties were investigated. To reveal the internal structure, 30% and 50% of the granular surface were removed by chemical surface gelatinization in concentrated LiCl solution. At moisture contents of 12% and 15%, HTM reduced the gelatinization temperatures and relative crystallinity of the starches, while at moisture contents of 21% and 24 % both increased. The alterations on morphology, X-ray pattern, physicochemical properties, and increase of amylose content were more intense with the increase of moisture content of HMT. The removal of granular layers showed that the changes promoted by HMT occur throughout the whole granule and were pronounced at the core or peripheral region, depending of the moisture content applied during HMT. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  17. Influence of chemical agents on the surface area and porosity of active carbon hollow fibers

    Directory of Open Access Journals (Sweden)

    LJILJANA M. KLJAJEVIĆ

    2011-09-01

    Full Text Available Active carbon hollow fibers were prepared from regenerated polysulfone hollow fibers by chemical activation using: disodium hydrogen phosphate 2-hydrate, disodium tetraborate 10-hydrate, hydrogen peroxide, and diammonium hydrogen phosphate. After chemical activation fibers were carbonized in an inert atmosphere. The specific surface area and porosity of obtained carbons were studied by nitrogen adsorption–desorption isotherms at 77 K, while the structures were examined with scanning electron microscopy and X-ray diffraction. The activation process increases these adsorption properties of fibers being more pronounced for active carbon fibers obtained with disodium tetraborate 10-hydrate and hydrogen peroxide as activator. The obtained active hollow carbons are microporous with different pore size distribution. Chemical activation with phosphates produces active carbon material with small surface area but with both mesopores and micropores. X-ray diffraction shows that besides turbostratic structure typical for carbon materials, there are some peaks which indicate some intermediate reaction products when sodium salts were used as activating agent. Based on data from the electrochemical measurements the activity and porosity of the active fibers depend strongly on the oxidizing agent applied.

  18. Thermodiffusion as a means to manipulate liquid film dynamics on chemically patterned surfaces.

    Science.gov (United States)

    Kalpathy, Sreeram K; Shreyes, Amrita Ravi

    2017-06-07

    The model problem examined here is the stability of a thin liquid film consisting of two miscible components, resting on a chemically patterned solid substrate and heated from below. In addition to surface tension gradients, the temperature variations also induce gradients in the concentration of the film by virtue of thermodiffusion/Soret effects. We study the stability and dewetting behaviour due to the coupled interplay between thermal gradients, Soret effects, long-range van der Waals forces, and wettability gradient-driven flows. Linear stability analysis is first employed to predict growth rates and the critical Marangoni number for chemically homogeneous surfaces. Then, nonlinear simulations are performed to unravel the interfacial dynamics and possible locations of the film rupture on chemically patterned substrates. Results suggest that appropriate tuning of the Soret parameter and its direction, in conjunction with either heating or cooling, can help manipulate the location and time scales of the film rupture. The Soret effect can either potentially aid or oppose film instability depending on whether the thermal and solutal contributions to flow are cooperative or opposed to each other.

  19. Influence of Chemical Surface Modification of Woven Fabrics on Ballistic and Stab Protection of Multilayer Packets

    Directory of Open Access Journals (Sweden)

    Diana GRINEVIČIŪTĖ

    2014-06-01

    Full Text Available In order to achieve enhanced protective and wear (flexibility, less bulkiness properties of ballistic and stab protecting panels the investigation of chemical surface modification of woven p-aramid fabrics was performed applying different chemical composition shear thickening fluid (STF which improves friction inside fabric structure. For the chemical treatment silicic acid and acrylic dispersion water solutions were used and influence of their different concentrations on panels’ protective properties were investigated. Results of ballistic tests of multilayer protective panel have revealed that shear thickening effect was negligible when shooting at high energy range (E > 440 J. Determination of stab resistance of p-aramid panels has shown that different chemical composition of STFs had different influence on protective properties of the panels. Application of low concentrations of silicic acid determined higher stab resistance values comparing to higher concentrations of acrylic dispersion water solutions. At this stage of research stab tests results as ballistic ones determined that STF application for multilayer p-aramid fabrics protective panels is more efficient at low strike energy levels. DOI: http://dx.doi.org/10.5755/j01.ms.20.2.3138

  20. Two-component spin-coated Ag/CNT composite films based on a silver heterogeneous nucleation mechanism adhesion-enhanced by mechanical interlocking and chemical grafting

    Science.gov (United States)

    Zhang, Yang; Kang, Zhixin; Bessho, Takeshi

    2017-03-01

    In this paper, a new method for the synthesis of silver carbon nanotube (Ag/CNT) composite films as conductive connection units for flexible electronic devices is presented. This method is about a two-component solution process by spin coating with an after-treatment annealing process. In this method, multi-walled carbon nanotubes (MWCNTs) act as the core of silver heterogeneous nucleation, which can be observed and analyzed by a field-emission scanning electron microscope. With the effects of mechanical interlocking, chemical grafting, and annealing, the interfacial adhesive strength between films and PET sheets was enhanced to 12 N cm-1. The tensile strength of the Ag/CNT composite films was observed to increase by 38% by adding 5 g l-1 MWCNTs. In the four-probe method, the resistivity of Ag/CNT-5 declined by 78.2% compared with pristine Ag films. The anti-fatigue performance of the Ag/CNT composite films was monitored by cyclic bending deformation and the results revealed that the growth rate of electrical resistance during the deformation was obviously retarded. As for industrial application, this method provides an efficient low-cost way to prepare Ag/CNT composite films and can be further applied to other coating systems.

  1. Surface chemical reactions during electron beam irradiation of nanocrystalline CaS:Ce3+ phosphor

    International Nuclear Information System (INIS)

    Kumar, Vinay; Pitale, Shreyas S.; Nagpure, I. M.; Coetsee, E.; Ntwaeaborwa, O. M.; Terblans, J. J.; Swart, H. C.; Mishra, Varun

    2010-01-01

    The effects of accelerating voltage (0.5-5 keV) on the green cathodoluminescence (CL) of CaS:Ce 3+ nanocrystalline powder phosphors is reported. An increase in the CL intensity was observed from the powders when the accelerating voltage was varied from 0.5 to 5 keV, which is a relevant property for a phosphor to be used in field emission displays (FEDs). The CL degradation induced by prolonged electron beam irradiation was analyzed using CL spectroscopy, x-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). The AES data showed the decrease in the S peak intensity and an increase in the O peak intensity during electron bombardment. The CL intensity was found to decrease to 30% of its original intensity after about 50 C/cm 2 . XPS was used to study the chemical composition of the CaS:Ce 3+ nanophosphor before and after degradation. The XPS data confirms that a nonluminescent CaSO 4 layer has formed on the surface during the degradation process, which may partially be responsible for the CL degradation. The electron stimulated surface chemical reaction mechanism was used to explain the effects of S desorption and the formation of the nonluminescent CaSO 4 layer on the surface.

  2. Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model.

    Science.gov (United States)

    Kroonblawd, Matthew P; Pietrucci, Fabio; Saitta, Antonino Marco; Goldman, Nir

    2018-04-10

    We demonstrate the capability of creating robust density functional tight binding (DFTB) models for chemical reactivity in prebiotic mixtures through force matching to short time scale quantum free energy estimates. Molecular dynamics using density functional theory (DFT) is a highly accurate approach to generate free energy surfaces for chemical reactions, but the extreme computational cost often limits the time scales and range of thermodynamic states that can feasibly be studied. In contrast, DFTB is a semiempirical quantum method that affords up to a thousandfold reduction in cost and can recover DFT-level accuracy. Here, we show that a force-matched DFTB model for aqueous glycine condensation reactions yields free energy surfaces that are consistent with experimental observations of reaction energetics. Convergence analysis reveals that multiple nanoseconds of combined trajectory are needed to reach a steady-fluctuating free energy estimate for glycine condensation. Predictive accuracy of force-matched DFTB is demonstrated by direct comparison to DFT, with the two approaches yielding surfaces with large regions that differ by only a few kcal mol -1 .

  3. Stick-Slip Motion of Moving Contact Line on Chemically Patterned Surfaces

    KAUST Repository

    Wu, Congmin; Lei, Siulong; Qian, Tiezheng; Wang, Xiaoping

    2009-01-01

    Based on our continuum hydrodynamic model for immiscible two-phase flows at solid surfaces, the stick-slip motion has been predicted for moving contact line at chemically patterned surfaces [Wang et al., J. Fluid Mech., 605 (2008), pp. 59-78]. In this paper we show that the continuum predictions can be quantitatively verified by molecular dynamics (MD) simulations. Our MD simulations are carried out for two immiscible Lennard-Jones fluids confined by two planar solid walls in Poiseuille flow geometry. In particular, one solid surface is chemically patterned with alternating stripes. For comparison, the continuum model is numerically solved using material parameters directly measured in MD simulations. From oscillatory fluid-fluid interface to intermittent stick-slip motion of moving contact line, we have quantitative agreement between the continuum and MD results. This agreement is attributed to the accurate description down to molecular scale by the generalized Navier boundary condition in our continuum model. Numerical results are also presented for the relaxational dynamics of fluid-fluid interface, in agreement with a theoretical analysis based on the Onsager principle of minimum energy dissipation. © 2010 Global-Science Press.

  4. Preparation of palladium nanoparticles on alumina surface by chemical co-precipitation method and catalytic applications

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Avvaru Praveen; Kumar, B. Prem; Kumar, A.B.V. Kiran; Huy, Bui The [Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of); Lee, Yong-Ill, E-mail: yilee@changwon.ac.kr [Department of Chemistry, Changwon National University, Changwon 641-773 (Korea, Republic of)

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer Facile synthesis of palladium nanoparticles on alumina surface. Black-Right-Pointing-Pointer The surface morphology and properties of the nanocrystalline powders were characterized. Black-Right-Pointing-Pointer The catalytic activities of palladium nanoparticles were investigated. - Abstract: The present work reports a chemical co-precipitation process to synthesize palladium (Pd) nanoparticles using alumina as a supporting material. The optimized temperature for the formation of nanocrystalline palladium was found to be 600 Degree-Sign C. The X-ray diffraction (XRD) and Raman spectroscopy were used to study the chemical nature of the Pd in alumina matrix. The surface morphology and properties of the nanocrystalline powders were examined using thermogravimetric analysis (TG-DTA), XRD, Raman spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and atomic force microscopy (AFM). The calcinations in different atmospheres including in the inert medium forms the pure nano Pd{sup 0} while in the atmospheric air indicates the existence pure Pd{sup 0} along with PdO nanoparticles. The catalytic activities of the as-synthesized nanocrystalline Pd nanoparticles in the alumina matrix were investigated in Suzuki coupling, Hiyama cross-coupling, alkene and alkyne hydrogenation, and aerobic oxidation reactions.

  5. Heterogeneous photo-Fenton decolorization of Orange II over Al-pillared Fe-smectite: response surface approach, degradation pathway, and toxicity evaluation.

    Science.gov (United States)

    Li, Huiyuan; Li, Yanli; Xiang, Luojing; Huang, Qianqian; Qiu, Juanjuan; Zhang, Hui; Sivaiah, Matte Venkata; Baron, Fabien; Barrault, Joel; Petit, Sabine; Valange, Sabine

    2015-04-28

    A ferric smectite clay material was synthesized and further intercalated with Al2O3 pillars for the first time with the aim of evaluating its ability to be used as heterogeneous catalyst for the photo-Fenton decolorization of azo dye Orange II. UV irradiation was found to enhance the activity of the catalyst in the heterogeneous photo-Fenton process. Catalyst loading of 0.5g/L and hydrogen peroxide concentration of 13.5mM yielded a remarkable color removal, accompanied by excellent catalyst stability. The decolorization of Orange II followed the pseudo-first-order kinetics for initial dye concentrations from 20 to 160mg/L. The central composite design (CCD) based on the response surface methodology (RSM) was applied to evaluate the effects of several operating parameters, namely initial pH, catalyst loading and hydrogen peroxide concentration, on the decolorization efficiency. The RSM model was derived and the response surface plots were developed based on the results. Moreover, the main intermediate products were separated and identified using gas chromatography-mass spectrometry (GC-MS) and a possible degradation pathway was proposed accordingly. The acute toxicity experiments illustrated that the Daphniamagna immobilization rate continuously decreased during 150min reaction, indicating that the effluent was suitable for sequential biological treatment. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Theoretical study of the acid-base properties of the montmorillonite/electrolyte interface: influence of the surface heterogeneity and ionic strength on the potentiometric titration curves.

    Science.gov (United States)

    Zarzycki, Piotr; Thomas, Fabien

    2006-10-15

    The parallel shape of the potentiometric titration curves for montmorillonite suspension is explained using the surface complexation model and taking into account the surface heterogeneity. The homogeneous models give accurate predictions only if they assume unphysically large values of the equilibrium constants for the exchange process occurring on the basal plane. However, the assumption that the basal plane is energetically heterogeneous allows to fit the experimental data (reported by Avena and De Pauli [M. Avena, C.P. De Pauli, J. Colloid Interface Sci. 202 (1998) 195-204]) for reasonable values of exchange equilibrium constant equal to 1.26 (suggested by Fletcher and Sposito [P. Fletcher, G. Sposito, Clay Miner. 24 (1989) 375-391]). Moreover, we observed the typical behavior of point of zero net proton charge (pznpc) as a function of logarithm of the electrolyte concentration (log[C]). We showed that the slope of the linear dependence, pznpc=f(log[C]), is proportional to the number of isomorphic substitutions in the crystal phase, which was also observed in the experimental studies.

  7. Self-cleaning and surface chemical reactions during hafnium dioxide atomic layer deposition on indium arsenide.

    Science.gov (United States)

    Timm, Rainer; Head, Ashley R; Yngman, Sofie; Knutsson, Johan V; Hjort, Martin; McKibbin, Sarah R; Troian, Andrea; Persson, Olof; Urpelainen, Samuli; Knudsen, Jan; Schnadt, Joachim; Mikkelsen, Anders

    2018-04-12

    Atomic layer deposition (ALD) enables the ultrathin high-quality oxide layers that are central to all modern metal-oxide-semiconductor circuits. Crucial to achieving superior device performance are the chemical reactions during the first deposition cycle, which could ultimately result in atomic-scale perfection of the semiconductor-oxide interface. Here, we directly observe the chemical reactions at the surface during the first cycle of hafnium dioxide deposition on indium arsenide under realistic synthesis conditions using photoelectron spectroscopy. We find that the widely used ligand exchange model of the ALD process for the removal of native oxide on the semiconductor and the simultaneous formation of the first hafnium dioxide layer must be significantly revised. Our study provides substantial evidence that the efficiency of the self-cleaning process and the quality of the resulting semiconductor-oxide interface can be controlled by the molecular adsorption process of the ALD precursors, rather than the subsequent oxide formation.

  8. Soil, Groundwater, Surface Water, and Sediments of Kennedy Space Center, Florida: Background Chemical and Physical Characteristics

    Science.gov (United States)

    Shmalzer, Paul A.; Hensley, Melissa A.; Mota, Mario; Hall, Carlton R.; Dunlevy, Colleen A.

    2000-01-01

    This study documented background chemical composition of soils, groundwater, surface; water, and sediments of Kennedy Space Center. Two hundred soil samples were collected, 20 each in 10 soil classes. Fifty-one groundwater wells were installed in 4 subaquifers of the Surficial Aquifer and sampled; there were 24 shallow, 16 intermediate, and 11 deep wells. Forty surface water and sediment samples were collected in major watershed basins. All samples were away from sites of known contamination. Samples were analyzed for organochlorine pesticides, aroclors, chlorinated herbicides, polycyclic aromatic hydrocarbons (PAH), total metals, and other parameters. All aroclors (6) were below detection in all media. Some organochlorine pesticides were detected at very low frequencies in soil, sediment, and surface water. Chlorinated herbicides were detected at very low frequencies in soil and sediments. PAH occurred in low frequencies in soiL, shallow groundwater, surface water, and sediments. Concentrations of some metals differed among soil classes, with subaquifers and depths, and among watershed basins for surface water but not sediments. Most of the variation in metal concentrations was natural, but agriculture had increased Cr, Cu, Mn, and Zn.

  9. Chemical nanocavitation of surfaces to enhance the utility of stainless steel as a medical material.

    Science.gov (United States)

    Rodriguez-Contreras, Alejandra; Guadarrama Bello, Dainelys; Flynn, Sam; Variola, Fabio; Wuest, James D; Nanci, Antonio

    2018-01-01

    While stainless steel is a broadly used alloy with interesting mechanical properties, its applications in medicine suffers from inherent biocompatibility limitations. An attractive opportunity to improve its performance is to alter its surface, but this has proven challenging. We now show how high range anodization conditions using H 2 SO 4 /H 2 O 2 as an atypical electrolyte can efficiently nanocavitate the surface of both stainless steel SS304 and SS316 and create a topography with advantageous biomedical characteristics. We describe the structural and chemical features of the resulting surfaces, and propose a nanocorrosion/transpassivation/repassivation mechanism for its creation. Our approach creates a thin mesoporous layer of crystalline oxide that selectively promotes mammalian cell activity and limits bacterial adhesion. The modified surfaces favor the formation and maturation of focal adhesion plaques and environment-sensing filopodia with abundant extra small lateral membrane protrusions, suggesting an increase in membrane fluidity. These protrusions represent a yet undescribed cellular response. Such surfaces promise to facilitate the integration of implantable SS devices, in general. In addition, our strategy simultaneously provides a simple, commercially attractive way to control the adhesion of microorganisms, making nanostructured stainless steel broadly useful in hospital environments, in manufacturing medical devices, as well as offering possibilities for non-medical applications. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

  10. Nanoscale fabrication and characterization of chemically modified silicon surfaces using conductive atomic force microscopy in liquids

    Science.gov (United States)

    Kinser, Christopher Reagan

    This dissertation examines the modification and characterization of hydrogen-terminated silicon surfaces in organic liquids. Conductive atomic force microscope (cAFM) lithography is used to fabricate structures with sub-100 nm line width on H:Si(111) in n-alkanes, 1-alkenes, and 1-alkanes. Nanopatterning is accomplished by applying a positive (n-alkanes and 1-alkenes) or a negative (1-alkanes) voltage pulse to the silicon substrate with the cAFM tip connected to ground. The chemical and kinetic behavior of the patterned features is characterized using AFM, lateral force microscopy, time-of-flight secondary ion mass spectroscopy (TOF SIMS), and chemical etching. Features patterned in hexadecane, 1-octadecene, and undecylenic acid methyl ester exhibited chemical and kinetic behavior consistent with AFM field induced oxidation. The oxide features are formed due to capillary condensation of a water meniscus at the AFM tip-sample junction. A space-charge limited growth model is proposed to explain the observed growth kinetics. Surface modifications produced in the presence of neat 1-dodecyne and 1-octadecyne exhibited a reduced lateral force compared to the background H:Si(111) substrate and were resistant to a hydrofluoric acid etch, characteristics which indicate that the patterned features are not due to field induced oxidation and which are consistent with the presence of the methyl-terminated 1-alkyne bound directly to the silicon surface through silicon-carbon bonds. In addition to the cAFM patterned surfaces, full monolayers of undecylenic acid methyl ester (SAM-1) and undec-10-enoic acid 2-bromoethyl ester (SAM-2) were grown on H:Si(111) substrates using ultraviolet light. The structure and chemistry of the monolayers were characterized using AFM, TOF SIMS, X-ray photoelectron spectroscopy (XPS), X-ray reflectivity (XRR), X-ray standing waves (XSW), and X-ray fluorescence (XRF). These combined analyses provide evidence that SAM-1 and SAM-2 form dense monolayers

  11. Chemical processes at the surface of various clays on acid-base titration

    International Nuclear Information System (INIS)

    Park, K. K.; Park, Y. S.; Jung, E. C.

    2010-01-01

    The chemical reaction of radionuclides at the interface between groundwater and geological mineral is an important process determining their retardation of transport through groundwater flow in a nuclear waste disposal. Clay minerals are major components of soil and argillaceous rock, and some of them are considered to be important base materials in the design of high-level nuclear waste repository due to their large swelling, low-permeability, large surface area, and strong and large sorption of radionuclides. Clay materials are phyllosilicates containing accessory minerals such as metal oxides, hydroxides, oxyhydroxides. Their structures are condensed 1:1 or 2:1 layers of tetrahedral SiO 3/2 OH and octahedral Al(OH) 6/2 sheets. An accurate knowledge about the properties of clay surface is required as a parameter for a long-term estimation of radionuclide retardation effects. Electric surface charge is a primary property determining ion exchange and surface complexation of radionuclides on its surface. The sources of electric surface charge are a permanent structural negative charge on a basal plane and a dissociable charge at an edge surface. Investigation of proton sorption is a prerequisite to the understanding of radionuclide sorption. The reactions on a permanently charged site and on an edge site are measured by an electrokinetic measurement and by potentiometric titration, respectively. However, side reactions such as complexation, proton/cation exchange, dissolution, hydrolysis, precipitation and re adsorption, and the reaction of secondary minerals hinder an experimental measurement of accurate acid-base properties. This presentation describes the pH change on dispersing various clays in water and adding acid, base or Eu(III) ion to these solutions, and the effect of Eu(III) ion on acid-base titration of clay solutions

  12. Chemical processes at the surface of various clays on acid-base titration

    Energy Technology Data Exchange (ETDEWEB)

    Park, K. K.; Park, Y. S.; Jung, E. C. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2010-10-15

    The chemical reaction of radionuclides at the interface between groundwater and geological mineral is an important process determining their retardation of transport through groundwater flow in a nuclear waste disposal. Clay minerals are major components of soil and argillaceous rock, and some of them are considered to be important base materials in the design of high-level nuclear waste repository due to their large swelling, low-permeability, large surface area, and strong and large sorption of radionuclides. Clay materials are phyllosilicates containing accessory minerals such as metal oxides, hydroxides, oxyhydroxides. Their structures are condensed 1:1 or 2:1 layers of tetrahedral SiO{sub 3/2}OH and octahedral Al(OH){sub 6/2} sheets. An accurate knowledge about the properties of clay surface is required as a parameter for a long-term estimation of radionuclide retardation effects. Electric surface charge is a primary property determining ion exchange and surface complexation of radionuclides on its surface. The sources of electric surface charge are a permanent structural negative charge on a basal plane and a dissociable charge at an edge surface. Investigation of proton sorption is a prerequisite to the understanding of radionuclide sorption. The reactions on a permanently charged site and on an edge site are measured by an electrokinetic measurement and by potentiometric titration, respectively. However, side reactions such as complexation, proton/cation exchange, dissolution, hydrolysis, precipitation and re adsorption, and the reaction of secondary minerals hinder an experimental measurement of accurate acid-base properties. This presentation describes the pH change on dispersing various clays in water and adding acid, base or Eu(III) ion to these solutions, and the effect of Eu(III) ion on acid-base titration of clay solutions

  13. Computed Potential Energy Surfaces and Minimum Energy Pathway for Chemical Reactions

    Science.gov (United States)

    Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

    1994-01-01

    Computed potential energy surfaces are often required for computation of such observables as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method with the Dunning correlation consistent basis sets to obtain accurate energetics, gives useful results for a number of chemically important systems. Applications to complex reactions leading to NO and soot formation in hydrocarbon combustion are discussed.

  14. Preparation of InAs(0 0 1) surface for spin injection via a chemical route

    International Nuclear Information System (INIS)

    Singh, L J; Oliver, R A; Barber, Z H; Eustace, D A; McComb, D W; Clowes, S K; Gilbertson, A M; Magnus, F; Branford, W R; Cohen, L F; Buckle, L; Buckle, P D; Ashley, T

    2007-01-01

    A wet chemical surface treatment for InAs epilayers is investigated to remove the native semiconductor oxide prior to growth of a MgO tunnel barrier and Co ferromagnetic electrode by dc magnetron sputtering. Use of a HCl etch followed by (NH 4 ) 2 S as the pre-growth surface treatment resulted in pinhole-like features in the tunnel barrier, as observed by conducting atomic force microscopy, but this detrimental effect is avoided if the etch procedure is repeated twice. High resolution transmission electron microscopy revealed that the etched samples had uniform tunnel barriers and reducing the growth temperature of the barrier from 200 to 100 0 C significantly improved the abruptness of the semiconductor/barrier interface. Electrical characterization of barrier properties illustrated that all the etched samples showed parabolic differential conductance curves indicative of tunnelling behaviour at 300 K

  15. Electrical characterization of chemically modified YBa2Cu3O7-x surfaces

    International Nuclear Information System (INIS)

    Hunt, B.D.; Foote, M.C.; Vasquez, R.P.

    1990-01-01

    Results on electrical characterization of YBa 2 Cu 3 O 7-x thin-film surfaces treated with a Br/ethanol chemical etch are presented. Electrical measurements of YBa 2 Cu 3 O 7-x /Au/Nb device structures fabricated using polycrystalline, post-annealed YBa 2 Cu 3 O 7-x films with Br-etched surfaces, show improvements of approximately one or two orders of magnitude in current densities and resistivities (resistance-area products) relative to unetched devices. The existence of supercurrents in these structures has been confirmed by observation of the ac Josephson effect, and by magnetic field and temperature studies of the critical currents. The Br-etch process has produced 10x10 μm 2 devices with critical current densities greater than 400 A/cm 2 and resistivities as low as 4x10 -7 Ω cm 2

  16. A numerical study of three-dimensional droplets spreading on chemically patterned surfaces

    KAUST Repository

    Zhong, Hua

    2016-09-26

    We study numerically the three-dimensional droplets spreading on physically flat chemically patterned surfaces with periodic squares separated by channels. Our model consists of the Navier-Stokes-Cahn-Hilliard equations with the generalized Navier boundary conditions. Stick-slip behavior and con-tact angle hysteresis are observed. Moreover, we also study the relationship between the effective advancing/receding angle and the two intrinsic angles of the surface patterns. By increasing the volume of droplet gradually, we find that the advancing contact line tends gradually to an equiangular octagon with the length ratio of the two adjacent sides equal to a fixed value that depends on the geometry of the pattern.

  17. Glass Formation, Chemical Properties and Surface Analysis of Cu-Based Bulk Metallic Glasses

    Directory of Open Access Journals (Sweden)

    Akihisa Inoue

    2011-04-01

    Full Text Available This paper reviews the influence of alloying elements Mo, Nb, Ta and Ni on glass formation and corrosion resistance of Cu-based bulk metallic glasses (BMGs. In order to obtain basic knowledge for application to the industry, corrosion resistance of the Cu–Hf–Ti–(Mo, Nb, Ta, Ni and Cu–Zr–Ag–Al–(Nb bulk glassy alloy systems in various solutions are reported in this work. Moreover, X-ray photoelectron spectroscopy (XPS analysis is performed to clarify the surface-related chemical characteristics of the alloy before and after immersion in the solutions; this has lead to a better understanding of the correlation between the surface composition and the corrosion resistance.

  18. Structural modification of titanium surface by octacalcium phosphate via Pulsed Laser Deposition and chemical treatment

    Directory of Open Access Journals (Sweden)

    I.V. Smirnov

    2017-06-01

    Full Text Available In the present study, the Pulsed Laser Deposition (PLD technique was applied to coat titanium for orthopaedic and dental implant applications. Calcium carbonate (CC was used as starting coating material. The deposited CC films were transformed into octacalcium phosphate (OCP by chemical treatments. The results of X-ray diffraction (XRD, Raman, Fourier Transform Infrared Spectroscopy (FTIR and scanning electron microscopy (SEM studies revealed that the final OCP thin films are formed on the titanium surface. Human myofibroblasts from peripheral vessels and the primary bone marrow mesenchymal stromal cells (BMMSs were cultured on the investigated materials. It was shown that all the investigated samples had no short-term toxic effects on cells. The rate of division of myofibroblast cells growing on the surface and saturated BMMSs concentration for the OCP coating were about two times faster than of cells growing on the CC films.

  19. Predicting Salmonella populations from biological, chemical, and physical indicators in Florida surface waters.

    Science.gov (United States)

    McEgan, Rachel; Mootian, Gabriel; Goodridge, Lawrence D; Schaffner, Donald W; Danyluk, Michelle D

    2013-07-01

    Coliforms, Escherichia coli, and various physicochemical water characteristics have been suggested as indicators of microbial water quality or index organisms for pathogen populations. The relationship between the presence and/or concentration of Salmonella and biological, physical, or chemical indicators in Central Florida surface water samples over 12 consecutive months was explored. Samples were taken monthly for 12 months from 18 locations throughout Central Florida (n = 202). Air and water temperature, pH, oxidation-reduction potential (ORP), turbidity, and conductivity were measured. Weather data were obtained from nearby weather stations. Aerobic plate counts and most probable numbers (MPN) for Salmonella, E. coli, and coliforms were performed. Weak linear relationships existed between biological indicators (E. coli/coliforms) and Salmonella levels (R(2) Florida surface water through logistic regression.

  20. Tribochemical interaction between nanoparticles and surfaces of selective layer during chemical mechanical polishing

    International Nuclear Information System (INIS)

    Ilie, Filip

    2013-01-01

    Nanoparticles have been widely used in polish slurries such as those in the chemical mechanical polishing (CMP) process. For understanding the mechanisms of CMP, an atomic force microscope (AFM) is used to characterize polished surfaces of selective layers, after a set of polishing experiments. To optimize the CMP polishing process, one needs to get information on the interaction between the nano-abrasive slurry nanoparticles and the surface of selective layer being polished. The slurry used in CMP process of the solid surfaces is slurry with large nanoparticle size colloidal silica sol nano-abrasives. Silica sol nano-abrasives with large nanoparticle are prepared and characterized by transmission electron microscopy, particles colloidal size, and Zeta potential in this paper. The movement of nanoparticles in liquid and the interaction between nanoparticles and solid surfaces coating with selective layer are very important to obtain an atomic alloy smooth surface in the CMP process. We investigate the nanoparticle adhesion and removal processes during CMP and post-CMP cleaning. The mechanical interaction between nanoparticles and the wafer surface was studied using a microcontact wear model. This model considers the nanoparticle effects between the polishing interfaces during load balancing. Experimental results on polishing and cleaning are compared with numerical analysis. This paper suggests that during post-CMP cleaning, a combined effort in chemical and mechanical interaction (tribochemical interactions) would be effective in removal of small nanoparticles during cleaning. For large nanoparticles, more mechanical forces would be more effective. CMP results show that the removal rate has been improved to 367 nm/min and root mean square (RMS) of roughness has been reduced from 4.4 to 0.80 nm. Also, the results show that the silica sol nano-abrasives about 100 nm are of higher stability (Zeta potential is −65 mV) and narrow distribution of nanoparticle

  1. Chemical state analysis of oxidation products on steel surface by conversion electron Moessbauer spectrometry

    International Nuclear Information System (INIS)

    Ujihira, Yusuke; Nomura, Kiyoshi

    1978-01-01

    The polished NT-70H steel (Fe: 95.97%, C: 0.56%, diameter: 5 cm, thickness: 0.5 cm) was immersed in deionized water or in solutions containing (0.25 -- 0.5) M of chloride, sulfate and nitrate ions. The chemical states of oxidation products of iron on the surface were identified through the analysis of conversion electron Moessbauer spectra (CEMS). CEMS of the steel surface, which had been dipped in deionized water, revealed that γ-FeOOH was formed on the surface. The thickness of γ-FeOOH layer increased with the increase of the duration of dipping. Dissolved oxygen in the solution played an essential role in the oxidation of iron to γ-FeOOH. Oxidation product of iron dipped in the 0.5 M sodium chloride solution was identified as γ-FeOOH. Amorphous paramagnetic iron (III) compound tended to form in the presence of hydrogen peroxide or ammonium ions in the solutions. The increase of alkalinity of the solution up to pH 12 suppressed the oxidation rate and assisted the formation of green rust, which was confirmed by the appearance of the quadrupole splitting peaks of the green rust. In the 0.25 M sodium sulfate solution, oxidation of the steel surface proceeded slowly and the quadrupole splitting peaks of Fe(OH) 2 were seen in the CEMS. The peak intensity of Fe(OH) 2 gradually decreased and that of γ-FeOOH increased by the extension of immersion of steel in the solution. Magnetite (Fe 3 O 4 ) layer was developed beneath the γ-FeOOH layer, when steel was dipped in 0.5 M sodium nitrate solution. However, the peaks of Fe 3 O 4 were not seen on CEMS of steel surface immersed in 0.5 M ammonium nitrate solution. Thus, applying the feasibility of CEMS for the characterization of oxidated compounds of iron on the steel surface formed by the immersion in solutions, the oxidation mechanism of the steel surface was discussed based upon the results of chemical state analyses. (author)

  2. Atom-specific look at the surface chemical bond using x-ray emission spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nilsson, A.; Wassdahl, N.; Weinelt, M. [Uppsala Univ. (Sweden)] [and others

    1997-04-01

    CO and N{sub 2} adsorbed on the late transition metals have become prototype systems regarding the general understanding of molecular adsorption. It is in general assumed that the bonding of molecules to transition metals can be explained in terms of the interaction of the frontier HOMO and LUMO molecular orbitals with the d-orbitals. In such a picture the other molecular orbitals should remain essentially the same as in the free molecule. For the adsorption of the isoelectronic molecules CO and N{sub 2} this has led to the so called Blyholder model i.e., a synergetic {sigma} (HOMO) donor and {pi} (LUMO) backdonation bond. The authors results at the ALS show that such a picture is oversimplified. The direct observation and identification of the states related to the surface chemical bond is an experimental challenge. For noble and transition metal surfaces, the adsorption induced states overlap with the metal d valence band. Their signature is therefore often obscured by bulk substrate states. This complication has made it difficult for techniques such as photoemission and inverse photoemission to provide reliable information on the energy of chemisorption induced states and has left questions unanswered regarding the validity of the frontier orbitals concept. Here the authors show how x-ray emission spectroscopy (XES), in spite of its inherent bulk sensitivity, can be used to investigate adsorbed molecules. Due to the localization of the core-excited intermediate state, XE spectroscopy allows an atomic specific separation of the valence electronic states. Thus the molecular contributions to the surface measurements make it possible to determine the symmetry of the molecular states, i.e., the separation of {pi} and {sigma} type states. In all the authors can obtain an atomic view of the electronic states involved in the formation of the chemical bond to the surface.

  3. THE INTEGRATED USE OF COMPUTATIONAL CHEMISTRY, SCANNING PROBE MICROSCOPY, AND VIRTUAL REALITY TO PREDICT THE CHEMICAL REACTIVITY OF ENVIRONMENTAL SURFACES