Defect Chemistry, Electrical Properties, and Evaluation of New Oxides Sr2 CoNb1-x Tix O6-δ (0≤x≤1) as Cathode Materials for Solid Oxide Fuel Cells.

Science.gov (United States)

Azcondo, María Teresa; Yuste, Mercedes; Pérez-Flores, Juan Carlos; Muñoz-Gil, Daniel; García-Martín, Susana; Muñoz-Noval, Alvaro; Orench, Inés Puente; García-Alvarado, Flaviano; Amador, Ulises

2017-07-21

The perovskite series Sr 2 CoNb 1-x Ti x O 6-δ (0≤x≤1) was investigated in the full compositional range to assess its potential as cathode material for solid oxide fuel cell (SOFC). The variation of transport properties and thus, the area specific resistances (ASR) are explained by a detailed investigation of the defect chemistry. Increasing the titanium content from x=0-1 produces both oxidation of Co 3+ to Co 4+ (from 0 up to 40 %) and oxygen vacancies (from 6.0 to 5.7 oxygen atom/formula unit), although each charge compensation mechanism predominates in different compositional ranges. Neutron diffraction reveals that samples with high Ti-contents lose a significant amount of oxygen upon heating above 600 K. Oxygen is partially recovered upon cooling as the oxygen release and uptake show noticeably different kinetics. The complex defect chemistry of these compounds, together with the compositional changes upon heating/cooling cycles and atmospheres, produce a complicated behavior of electrical conductivity. Cathodes containing Sr 2 CoTiO 6-δ display low ASR values, 0,13 Ω cm 2 at 973 K, comparable to those of the best compounds reported so far, being a very promising cathode material for SOFC. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reduced Graphene Oxide Joins Graphene Oxide to Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts

Science.gov (United States)

Kondratowicz, Izabela; Nadolska, Malgorzata; Z?elechowska, Kamila

2018-01-01

Novel carbon nanomaterials such as reduced graphene oxide (rGO) and graphene oxide (GO) can be easily incorporated into the undergraduate curriculum to discuss basic chemistry and nanotechnology concepts. This paper describes a laboratory experiment designed to study the differences between GO and rGO regarding their physicochemical properties…

Click chemistry approach to functionalize two-dimensional macromolecules of graphene oxide nanosheets

Institute of Scientific and Technical Information of China (English)

Liang Kou; Hongkun He; Chao Gao

2010-01-01

A facile 'click chemistry' approach to functionalize 2D macromolecules of graphene oxide nanosheets with poly(ethylene glycol) of different molecular weights,polystyrene,palmitic acid and various amino acids was presented.FTIR,TGA,Raman spectroscopy,XPS,XRD,TEM,AFM and SEM were utilized to characterize the products.High degree of functionalization was achieved on the flat surfaces of graphene oxide,affording polymer-grafted 2D brushes and amino acids-immobilized nanosheets,which show improved solubility in organic solvents.The click chemistry strategy reported herein provides a facile and general method for functionalization of graphene oxide with macromolecules and desired biomolecules.

Kraft lignin chain extension chemistry via propargylation, oxidative coupling, and Claisen rearrangement.

Science.gov (United States)

Sen, Sanghamitra; Sadeghifar, Hasan; Argyropoulos, Dimitris S

2013-10-14

Despite its aromatic and polymeric nature, the heterogeneous, stochastic, and reactive characteristics of softwood kraft lignin seriously limit its potential for thermoplastic applications. Our continuing efforts toward creating thermoplastic lignin polymers are now focused at exploring propargylation derivatization chemistry and its potential as a versatile novel route for the eventual utilization of technical lignins with a significant amount of molecular control. To do this, we initially report the systematic propargylation of softwood kraft lignin. The synthesized derivatives were extensively characterized with thermal methods (DSC, TGA), (1)H, (13)C, and quantitative (31)P NMR and IR spectroscopies. Further on, we explore the versatile nature of the lignin pendant propargyl groups by demonstrating two distinct chain extension chemistries; the solution-based, copper-mediated, oxidative coupling and the thermally induced, solid-state, Claissen rearrangement polymerization chemistries. Overall, we show that it is possible to modulate the reactivity of softwood kraft lignin via a combination of methylation and chain extension providing a rational means for the creation of higher molecular weight polymers with the potential for thermoplastic materials and carbon fibers with the desired control of structure-property relations.

A combinatorial chemistry approach to the investigation of cerium oxide and plutonium oxide reactions with small molecules

Science.gov (United States)

Brady, John T.; Warner, Benjamin P.; Bridgewater, Jon S.; Havrilla, George J.; Morris, David E.; Buscher, C. Thomas

2000-07-01

We are currently investigating the potential chemistry of the 3013 Standard waste storage containers. These containers are filled with waste that is a mixture of inorganic salts and plutonium oxide that has been calcined to remove water and other volatiles. There has been concern about possible pressure buildup due to the formation of hydrogen or other gases. We are utilizing a combinatorial chemistry approach to investigate a range of possible reactions that may occur in the containers with various concentrations of metal oxides and inorganic salts.

Aerobic Alcohol Oxidation Using a Copper(I)/TEMPO Catalyst System: A Green, Catalytic Oxidation Reaction for the Undergraduate Organic Chemistry Laboratory

Science.gov (United States)

Hill, Nicholas J.; Hoover, Jessica M.; Stahl, Shannon S.

2013-01-01

Modern undergraduate organic chemistry textbooks provide detailed discussion of stoichiometric Cr- and Mn-based reagents for the oxidation of alcohols, yet the use of such oxidants in instructional and research laboratories, as well as industrial chemistry, is increasingly avoided. This work describes a laboratory exercise that uses ambient air as…

Surface chemistry and catalytic properties of VO{sub X}/Ti-MCM-41 catalysts for dibenzothiophene oxidation in a biphasic system

Energy Technology Data Exchange (ETDEWEB)

González, J. [ESIQIE, Instituto Politécnico Nacional, Av. Instituto Politécnico Nacional s/n, 07738 Col. Zacatenco, Mexico City (Mexico); Chen, L.F., E-mail: lchen@ipn.mx [ESIQIE, Instituto Politécnico Nacional, Av. Instituto Politécnico Nacional s/n, 07738 Col. Zacatenco, Mexico City (Mexico); Wang, J.A.; Manríquez, Ma.; Limas, R. [ESIQIE, Instituto Politécnico Nacional, Av. Instituto Politécnico Nacional s/n, 07738 Col. Zacatenco, Mexico City (Mexico); Schachat, P.; Navarrete, J. [Dirección de Investigación, Instituto Mexicano del Petróleo, Eje Lázaro Cárdenas 152, 07730 México D.F. (Mexico); Contreras, J.L. [Laboratorio de Catálisis y Polímeros, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-A, Av. San Pablo No. 180, 02200 México D.F. (Mexico)

2016-08-30

Highlights: • Oxidative desulfurization of model diesel was tested in a biphasic system. • ODS activity was proportional to the V{sup 5+}/(V{sup 4+} + V{sup 5+}) values of the catalysts. • Lewis acidity was related to vanadium content and catalytic activity. • 99.9% DBT was oxidized using 25%V{sub 2}O{sub 5}/Ti-MCM-41 at 60 °C within 60 min. - Abstract: A series of vanadium oxide supported on Ti-MCM-41 catalysts was synthesized via the incipient impregnation method by varying the vanadia loading from 5 wt% to 10, 15, 20 and 25 wt%. These catalysts were characterized by a variety of advanced techniques for investigating their crystalline structure, textural properties, and surface chemistry information including surface acidity, reducibility, vanadium oxidation states, and morphological features. The catalytic activities of the catalysts were evaluated in a biphasic reaction system for oxidative desulfurization (ODS) of a model diesel containing 300 ppm of dibenzothiophene (DBT) where acetonitrile was used as extraction solvent and H{sub 2}O{sub 2} as oxidant. ODS activity was found to be proportional to the V{sup 5+}/(V{sup 4+} + V{sup 5+}) values of the catalysts, indicating that the surface vanadium pentoxide (V{sub 2}O{sub 5}) was the active phase. Reaction temperature would influence significantly the ODS efficiency; high temperature, i.e., 80 °C, would lead to low ODS reaction due to the partial decomposition of oxidant. All the catalysts contained both Lewis and Brønsted acid sites but the former was predominant. The catalysts with low vanadia loading (5 or 10 wt%V{sub 2}O{sub 5}) had many Lewis acid sites and could strongly adsorb DBT molecule via the electron donation/acceptance action which resulted in an inhibition for the reaction of DBT with the surface peroxometallic species. The catalyst with high vanadia loading (25wt%V{sub 2}O{sub 5}/Ti-MCM-41) showed the highest catalytic activity and could remove 99.9% of DBT at 60 °C within 60 min.

Using Demonstrations Involving Combustion and Acid-Base Chemistry to Show Hydration of Carbon Dioxide, Sulfur Dioxide, and Magnesium Oxide and Their Relevance for Environmental Climate Science

Science.gov (United States)

Shaw, C. Frank, III; Webb, James W.; Rothenberger, Otis

2016-01-01

The nature of acidic and basic (alkaline) oxides can be easily illustrated via a series of three straightforward classroom demonstrations for high school and general chemistry courses. Properties of carbon dioxide, sulfur dioxide, and magnesium oxide are revealed inexpensively and safely. Additionally, the very different kinetics of hydration of…

Thermal Treatment of Cerium Oxide and Its Properties: Adsorption Ability versus Degradation Efficiency

Directory of Open Access Journals (Sweden)

Pavel Janoš

2014-01-01

Full Text Available Cerium oxide belongs to the most important heterogeneous catalysts, but its applicability as so-called reactive sorbent for the degradation of toxic chemicals was only recently discovered. For these purposes, cerium oxide is prepared by precipitation of insoluble cerium salts (carbonates with a subsequent thermal decomposition. Properties of cerium oxide prepared from the carbonate precursor are strongly affected by the temperature during the calcination. Main physicochemical properties of cerium oxide (specific surface area, crystallinity, and surface chemistry were examined in dependence on the calcination temperature. As the adsorptive properties of CeO2 are undoubtedly of great importance in the abovementioned applications, the adsorption ability was studied using an azo dye Acid Orange 7 (AO7 as a model compound. The highest sorption efficiency towards AO7 exhibited sorbents prepared at temperatures below 700°C, which was attributed mainly to the presence of hydroxyl groups on the oxide surface. A strong correlation was found between an adsorption efficiency of cerium oxides and their degradation efficiency for organophosphate pesticide parathion methyl. The >Ce–OH groups on the sorbent surface are responsible for the dye binding by the surface-complexation mechanism, and probably also for the nucleophilic cleavage of the P–O–aryl bond in the pesticide molecule.

Grafting of Polycaprolactone on Oxidized Nanocelluloses by Click Chemistry

Directory of Open Access Journals (Sweden)

Claude Daneault

2013-03-01

Full Text Available The main objective of this work is the grafting of polycaprolactone diol (PCL on the surface of oxidized nanocelluloses (ONC in order to enhance the compatibility between the hydrophilic cellulose nanofibres and the hydrophobic polymer matrix. This grafting was successfully realized with a new strategy known as click chemistry. In this context, the oxidized nanocelluloses bearing alkyl groups (ONC-PR were prepared by reacting amino groups of propargylamine (PR with carboxyl groups of ONC. In parallel, PCL was converted into azido-polycaprolactone (PCL-N3 in two steps: (i tosylation of polycaprolactone (PCL-OTs and (ii conversion of PCL-OTs into PCL-N3 by nucleophilic displacement using sodium azide. Finally, ONC-PR was reacted with PCL-N3 in heterogeneous conditions through click chemistry in order to prepare polycaprolactone grafted oxidized nanocellulose (ONC-g-PCL, which could be suitable for improving the interfacial adhesion in the composite materials. The grafted samples were characterized by transmission electron microscopy and by Fourier transform infrared spectroscopy (FTIR, X-ray photoelectron spectroscopy (XPS and Carbon-13 nuclear magnetic resonance spectroscopy (13C-NMR spectroscopic techniques.

Grafting of Polycaprolactone on Oxidized Nanocelluloses by Click Chemistry

Science.gov (United States)

Benkaddour, Abdelhaq; Jradi, Khalil; Robert, Sylvain; Daneault, Claude

2013-01-01

The main objective of this work is the grafting of polycaprolactone diol (PCL) on the surface of oxidized nanocelluloses (ONC) in order to enhance the compatibility between the hydrophilic cellulose nanofibres and the hydrophobic polymer matrix. This grafting was successfully realized with a new strategy known as click chemistry. In this context, the oxidized nanocelluloses bearing alkyl groups (ONC-PR) were prepared by reacting amino groups of propargylamine (PR) with carboxyl groups of ONC. In parallel, PCL was converted into azido-polycaprolactone (PCL-N3) in two steps: (i) tosylation of polycaprolactone (PCL-OTs) and (ii) conversion of PCL-OTs into PCL-N3 by nucleophilic displacement using sodium azide. Finally, ONC-PR was reacted with PCL-N3 in heterogeneous conditions through click chemistry in order to prepare polycaprolactone grafted oxidized nanocellulose (ONC-g-PCL), which could be suitable for improving the interfacial adhesion in the composite materials. The grafted samples were characterized by transmission electron microscopy and by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS) and Carbon-13 nuclear magnetic resonance spectroscopy (13C-NMR) spectroscopic techniques. PMID:28348327

Altering graphene line defect properties using chemistry

Science.gov (United States)

Vasudevan, Smitha; White, Carter; Gunlycke, Daniel

2012-02-01

First-principles calculations are presented of a fundamental topological line defect in graphene that was observed and reported in Nature Nanotech. 5, 326 (2010). These calculations show that atoms and smaller molecules can bind covalently to the surface in the vicinity of the graphene line defect. It is also shown that the chemistry at the line defect has a strong effect on its electronic and magnetic properties, e.g. the ferromagnetically aligned moments along the line defect can be quenched by some adsorbates. The strong effect of the adsorbates on the line defect properties can be understood by examining how these adsorbates affect the boundary-localized states in the vicinity of the Fermi level. We also expect that the line defect chemistry will significantly affect the scattering properties of incident low-energy particles approaching it from graphene.

Synthetic modeling chemistry of iron-sulfur clusters in nitric oxide signaling.

Science.gov (United States)

Fitzpatrick, Jessica; Kim, Eunsuk

2015-08-18

reactivity of various types of DNICs has been established. N-bound neutral {Fe(NO)2}(10) DNICs react with O2 to generate low-temperature stable peroxynitrite (ONOO(-)) species, which then carry out nitration chemistry in the presence of phenolic substrates, relevant to tyrosine nitration chemistry. The reaction between S-bound anionic {Fe(NO)2}(9) DNICs and O2 results in the formation of Roussin's red esters (RREs) and thiol oxidation products, chemistry that may be important in biological cysteine oxidation. The N-bound cationic {Fe(NO)2}(9) DNICs can spontaneously release NO, and this property can be utilized in developing a new class of NO-donating agents with anti-inflammatory activity.

The radiation chemistry of macromolecules

CERN Document Server

1973-01-01

The Radiation Chemistry of Macromolecules, Volume II is a collection of papers that discusses radiation chemistry of specific systems. Part 1 deals with radiation chemistry of substituted vinyl polymers, particularly polypropylene (PP) as its structure is intermediate between polyethylene and polyisobutylene. This part also discusses polypropylene oxide (PPOx) for it can be prepared in the atactic, isotactic, and optically active forms. One paper focuses on the fundamental chemical processes and the changes in physical properties that give rise to many different applications of polystyrene. An

X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites

OpenAIRE

Gandhiraman, Ram P.; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E.; Chen, Bin; Meyyappan, M.

2014-01-01

The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties...

Comparative study of water chemistry and surface oxide composition on alloy 600 steam generator tubing

International Nuclear Information System (INIS)

Bjoernkvist, L.; Norring, K.; Nyborg, L.

1993-01-01

The Ringhals 3 steam generators experience secondary IGSCC on the tubes at support plate locations. Its sister unit Ringhals 4 is so far without IGSCC. Extensive work has been carried out in order to determine the local chemistry in crevices and the composition of deposits and oxide films on the tubes. Hot soaks of the SG:s at zero power has been performed and the water chemistry in occluded crevices of the SGs was predicted to be alkaline, pH 300degreesC = 10. In addition to eddy current testing, a large number of tubes have been pulled and destructively examined. These analysis include SEM/EDS characterization of TSP crevice deposits and Auger electron spectroscopy (AES) with depth profiling to reveal the composition of the tube OD oxide film. The AES analysis show an outer oxide rich in Fe 3 O 4 , mostly deposited. The actual Alloy 600 oxide is found below the magnetite and is 1-2 μm thick. The composition profile of the oxide exhibits a Cr-depletion relative to Ni in the outer part of the oxide, whereas an enrichment is found in depth. In order to correlate the water chemistry to the oxide composition profiles and deposits on pulled tubes, reference samples were prepared in an autoclave. The environments were chosen similar to the predicted Ringhals 3 and 4 crevice chemistry. Exposure both in an alkaline (pH 320degreesC∼ 9.9) and an acidic (pH 320degreesC ∼4.3) environment, containing sodium, chloride and sulphate, was studied. Some samples were also found on the Alloy 600 samples exposed to alkaline environment. Thus the prediction of alkaline chemistry was verified. The enrichment of chromium relative to nickel was shown to be potential and time dependent resulting in an increased Cr/Ni ratio at Cr-max with increasing potential and time

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

The influence of modified water chemistries on metal oxide films, activity build-up and stress corrosion cracking of structural materials in nuclear power plants

Energy Technology Data Exchange (ETDEWEB)

Maekelae, K.; Laitinen, T.; Bojinov, M. [VTT Manufacturing Technology, Espoo (Finland)

1999-03-01

The primary coolant oxidises the surfaces of construction materials in nuclear power plants. The properties of the oxide films influence significantly the extent of incorporation of actuated corrosion products into the primary circuit surfaces, which may cause additional occupational doses for the maintenance personnel. The physical and chemical properties of the oxide films play also an important role in different forms of corrosion observed in power plants. This report gives a short overview of the factors influencing activity build-up and corrosion phenomena in nuclear power plants. Furthermore, the most recent modifications in the water chemistry to decrease these risks are discussed. A special focus is put on zinc water chemistry, and a preliminary discussion on the mechanism via which zinc influences activity build-up is presented. Even though the exact mechanisms by which zinc acts are not yet known, it is assumed that Zn may block the diffusion paths within the oxide film. This reduces ion transport through the oxide films leading to a reduced rate of oxide growth. Simultaneously the number of available adsorption sites for {sup 60}Co is also reduced. The current models for stress corrosion cracking assume that the anodic and the respective cathodic reactions contributing to crack growth occur partly on or in the oxide films. The rates of these reactions may control the crack propagation rate and therefore, the properties of the oxide films play a crucial role in determining the susceptibility of the material to stress corrosion cracking. Finally, attention is paid also on the novel techniques which can be used to mitigate the susceptibility of construction materials to stress corrosion cracking. (orig.) 127 refs.

The influence of modified water chemistries on metal oxide films, activity build-up and stress corrosion cracking of structural materials in nuclear power plants

International Nuclear Information System (INIS)

Maekelae, K.; Laitinen, T.; Bojinov, M.

1999-03-01

The primary coolant oxidises the surfaces of construction materials in nuclear power plants. The properties of the oxide films influence significantly the extent of incorporation of actuated corrosion products into the primary circuit surfaces, which may cause additional occupational doses for the maintenance personnel. The physical and chemical properties of the oxide films play also an important role in different forms of corrosion observed in power plants. This report gives a short overview of the factors influencing activity build-up and corrosion phenomena in nuclear power plants. Furthermore, the most recent modifications in the water chemistry to decrease these risks are discussed. A special focus is put on zinc water chemistry, and a preliminary discussion on the mechanism via which zinc influences activity build-up is presented. Even though the exact mechanisms by which zinc acts are not yet known, it is assumed that Zn may block the diffusion paths within the oxide film. This reduces ion transport through the oxide films leading to a reduced rate of oxide growth. Simultaneously the number of available adsorption sites for 60 Co is also reduced. The current models for stress corrosion cracking assume that the anodic and the respective cathodic reactions contributing to crack growth occur partly on or in the oxide films. The rates of these reactions may control the crack propagation rate and therefore, the properties of the oxide films play a crucial role in determining the susceptibility of the material to stress corrosion cracking. Finally, attention is paid also on the novel techniques which can be used to mitigate the susceptibility of construction materials to stress corrosion cracking. (orig.)

The Influence Of Modified Water Chemistries On Metal Oxide Films, Activity Build-Up And Stress Corrosion Cracking Of Structural Materials In Nuclear Power Plants

International Nuclear Information System (INIS)

Maekelae, K.; Laitinen, T.; Bojinov, M.

1998-07-01

The primary coolant oxidises the surfaces of construction materials in nuclear power plants. The properties of the oxide films influence significantly the extent of incorporation of activated corrosion products into the primary circuit surfaces, which may cause additional occupational doses for the maintenance personnel. The physical and chemical properties of the oxide films play also an important role in different forms of corrosion observed in power plants. This report gives a short overview of the factors influencing activity build-up and corrosion phenomena in nuclear power plants. Furthermore, the most recent modifications in the water chemistry to decrease these risks are discussed. A special focus is put on zinc water chemistry, and a preliminary discussion on the mechanism via which zinc influences activity build-up is presented. Even though the exact mechanisms by which zinc acts are not yet known, it is assumed that Zn may block the diffusion paths within the oxide film. This reduces ion transport through the oxide films leading to a reduced rate of oxide growth. Simultaneously the number of available adsorption sites for 60 Co is also reduced. The current models for stress corrosion cracking assume that the anodic and the respective cathodic reactions contributing to crack growth occur partly on or in the oxide films. The rates of these reactions may control the crack propagation rate and therefore, the properties of the oxide films play a crucial role in determining the susceptibility of the material to stress corrosion cracking. Finally, attention is paid also on the novel techniques which can be used to mitigate the susceptibility of construction materials to stress corrosion cracking. (author)

Comparison of oxidation properties of Nb and Sn in mesoporous molecular sieves

Czech Academy of Sciences Publication Activity Database

Nowak, I.; Feliczak, A.; Nekoksová, Iveta; Čejka, Jiří

2007-01-01

Roč. 321, č. 1 (2007), s. 40-48 ISSN 0926-860X R&D Projects: GA MPO FT-TA/040; GA AV ČR 1ET400400413 Grant - others:Ministry of Scientific Research and Information Technology(PL) N204 084 31/1965 Institutional research plan: CEZ:AV0Z40400503 Keywords : mesoporous molecular sieves * niobium * tin * synthesis * oxidation properties Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.166, year: 2007

Oxidation Kinetics of Copper: An Experiment in Solid State Chemistry.

Science.gov (United States)

Ebisuzaki, Y.; Sanborn, W. B.

1985-01-01

Oxidation kinetics in metals and the role defects play in diffusion-controlled reactions are discussed as background for a junior/senior-level experiment in the physical or inorganic chemistry laboratory. Procedures used and typical data obtained are provided for the experiment. (JN)

Glass science tutorial: Lecture number-sign 1, Chemistry and properties of oxide glasses. Professor William C. LaCourse, Lecturer

International Nuclear Information System (INIS)

Kruger, A.A.

1994-10-01

The tutorial covers the following topics: Definitions and terminology; Introduction to glass structure and properties; The glass transition; Structure/property relationships in oxide glasses; Generalized models for predicting structure/properties; Glass surfaces; Chemical durability; and Mechanical properties

Predicting Radiative Heat Transfer in Oxy-Methane Flame Simulations: An Examination of Its Sensitivities to Chemistry and Radiative Property Models

Directory of Open Access Journals (Sweden)

Hassan Abdul-Sater

2015-01-01

Full Text Available Measurements from confined, laminar oxy-methane flames at different O2/CO2 dilution ratios in the oxidizer are first reported with measurements from methane-air flames included for comparison. Simulations of these flames employing appropriate chemistry and radiative property modeling options were performed to garner insights into the experimental trends and assess prediction sensitivities to the choice of modeling options. The chemistry was modeled employing a mixture-fraction based approach, Eddy dissipation concept (EDC, and refined global finite rate (FR models. Radiative properties were estimated employing four weighted-sum-of-gray-gases (WSGG models formulated from different spectroscopic/model databases. The mixture fraction and EDC models correctly predicted the trends in flame length and OH concentration variations, and the O2, CO2, and temperature measurements outside the flames. The refined FR chemistry model predictions of CO2 and O2 deviated from their measured values in the flame with 50% O2 in the oxidizer. Flame radiant power estimates varied by less than 10% between the mixture fraction and EDC models but more than 60% between the different WSGG models. The largest variations were attributed to the postcombustion gases in the temperature range 500 K–800 K in the upper sections of the furnace which also contributed significantly to the overall radiative transfer.

Chemistry of phospholipid oxidation.

Science.gov (United States)

Reis, Ana; Spickett, Corinne M

2012-10-01

The oxidation of lipids has long been a topic of interest in biological and food sciences, and the fundamental principles of non-enzymatic free radical attack on phospholipids are well established, although questions about detail of the mechanisms remain. The number of end products that are formed following the initiation of phospholipid peroxidation is large, and is continually growing as new structures of oxidized phospholipids are elucidated. Common products are phospholipids with esterified isoprostane-like structures and chain-shortened products containing hydroxy, carbonyl or carboxylic acid groups; the carbonyl-containing compounds are reactive and readily form adducts with proteins and other biomolecules. Phospholipids can also be attacked by reactive nitrogen and chlorine species, further expanding the range of products to nitrated and chlorinated phospholipids. Key to understanding the mechanisms of oxidation is the development of advanced and sensitive technologies that enable structural elucidation. Tandem mass spectrometry has proved invaluable in this respect and is generally the method of choice for structural work. A number of studies have investigated whether individual oxidized phospholipid products occur in vivo, and mass spectrometry techniques have been instrumental in detecting a variety of oxidation products in biological samples such as atherosclerotic plaque material, brain tissue, intestinal tissue and plasma, although relatively few have achieved an absolute quantitative analysis. The levels of oxidized phospholipids in vivo is a critical question, as there is now substantial evidence that many of these compounds are bioactive and could contribute to pathology. The challenges for the future will be to adopt lipidomic approaches to map the profile of oxidized phospholipid formation in different biological conditions, and relate this to their effects in vivo. This article is part of a Special Issue entitled: Oxidized phospholipids

Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

Science.gov (United States)

Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

2018-03-07

Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

Aquatic Chemistry

International Nuclear Information System (INIS)

Kim, Dong Yeun; Kim, Oh Sik; Kim, Chang Guk; Park, Cheong Gil; Lee, Gwi Hyeon; Lee, Cheol Hui

1987-07-01

This book deals aquatic chemistry, which treats water and environment, chemical kinetics, chemical balance like dynamical characteristic, and thermodynamics, acid-base chemistry such as summary, definition, kinetics, and PH design for mixture of acid-base chemistry, complex chemistry with definition, and kinetics, precipitation and dissolution on summary, kinetics of precipitation and dissolution, and balance design oxidation and resolution with summary, balance of oxidation and resolution.

Steam assisted oxide growth on aluminium alloys using oxidative chemistries: Part II corrosion performance

DEFF Research Database (Denmark)

Din, Rameez Ud; Jellesen, Morten Stendahl; Ambat, Rajan

2015-01-01

the protection provided by steam treatment with HNO3was a function of the concentration of NO3−ions. The coating generated by inclusion of KMnO4showed highest resistance to filiform corrosion. Overall, the performance of the steam treated surfaces under filiform corrosion and AASS test was a result of the local......Surface treatment of aluminium alloys using steam with oxidative chemistries, namely KMnO4 and HNO3 resulted in accelerated growth of oxide on aluminium alloys. Detailed investigation of the corrosion performance of the treated surfaces was carried out using potentiodynamic polarisation...

Green chemistry synthesis of nano-cuprous oxide.

Science.gov (United States)

Ceja-Romero, L R; Ortega-Arroyo, L; Ortega Rueda de León, J M; López-Andrade, X; Narayanan, J; Aguilar-Méndez, M A; Castaño, V M

2016-04-01

Green chemistry and a central composite design, to evaluate the effect of reducing agent, temperature and pH of the reaction, were employed to produce controlled cuprous oxide (Cu2O) nanoparticles. Response surface method of the ultraviolet-visible spectroscopy is allowed to determine the most relevant factors for the size distribution of the nanoCu2O. X-ray diffraction reflections correspond to a cubic structure, with sizes from 31.9 to 104.3 nm. High-resolution transmission electron microscopy reveals that the different shapes depend strongly on the conditions of the green synthesis.

Interactions of silica with iron oxides: Effects on oxide transformations and sorption properties

Energy Technology Data Exchange (ETDEWEB)

Taylor, P

1995-08-01

This report is a review of the literature on the adsorption of silica species on iron oxides and oxyhydroxides, and its effects on the adsorption of other species and on oxide interconversion reactions. The information is discussed briefly in the contexts of nuclear waste disposal and boiler-water chemistry. (author). 76 refs.

Interactions of silica with iron oxides: Effects on oxide transformations and sorption properties

International Nuclear Information System (INIS)

Taylor, P.

1995-08-01

This report is a review of the literature on the adsorption of silica species on iron oxides and oxyhydroxides, and its effects on the adsorption of other species and on oxide interconversion reactions. The information is discussed briefly in the contexts of nuclear waste disposal and boiler-water chemistry. (author). 76 refs

Visualizing Chemistry: Investigations for Teachers.

Science.gov (United States)

Ealy, Julie B.; Ealy, James L., Jr.

This book contains 101 investigations for chemistry classrooms. Topics include: (1) Physical Properties; (2) Reactions of Some Elements; (3) Reactions Involving Gases; (4) Energy Changes; (5) Solutions and Solubility; (6) Transition Metals and Complex Ions; (7) Kinetics and Equilibrium; (8) Acids and Bases; (9) Oxidation-Reduction; (10)…

Layer-by-layer assembly of graphene oxide on polypropylene macroporous membranes via click chemistry to improve antibacterial and antifouling performance

Energy Technology Data Exchange (ETDEWEB)

Zhang, Zhen-Bei, E-mail: 1021453457@qq.com [The Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Key Laboratory of Molecular-Based Materials, College of Chemistry and Materials Science, Anhui Normal University, East Beijing Rd. 1, Wuhu, Anhui 241000 (China); Wu, Jing-Jing, E-mail: 957522275@qq.com [The Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Key Laboratory of Molecular-Based Materials, College of Chemistry and Materials Science, Anhui Normal University, East Beijing Rd. 1, Wuhu, Anhui 241000 (China); Su, Yu, E-mail: 819388710@qq.com [The Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Key Laboratory of Molecular-Based Materials, College of Chemistry and Materials Science, Anhui Normal University, East Beijing Rd. 1, Wuhu, Anhui 241000 (China); Zhou, Jin, E-mail: zhoujin_ah@163.com [Department of Materials and Chemical Engineering, Chizhou University, Muzhi Rd. 199, Chizhou, Anhui 247000 (China); Gao, Yong, E-mail: 154682180@qq.com [School of Chemistry and Environmental Engineering, Jiangsu University of Technology, Changzhou 213001 (China); Yu, Hai-Yin, E-mail: yhy456@mail.ahnu.edu.cn [The Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Key Laboratory of Molecular-Based Materials, College of Chemistry and Materials Science, Anhui Normal University, East Beijing Rd. 1, Wuhu, Anhui 241000 (China); Gu, Jia-Shan, E-mail: jiashanG@mail.ahnu.edu.cn [The Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Key Laboratory of Molecular-Based Materials, College of Chemistry and Materials Science, Anhui Normal University, East Beijing Rd. 1, Wuhu, Anhui 241000 (China)

2015-03-30

Graphical abstract: - Highlights: • Clickable membrane prepared by photo bromination and S{sub N}2 nucleophilic substitution. • Azide graphene oxide prepared by ring-opening reaction. • Alkyne graphene oxide was prepared via esterification reaction. • Layer-by-layer assembly of graphene oxide on membrane by click chemistry. • Antibacterial and antifouling characteristics were enhanced greatly. - Abstract: Polypropylene is an extensively used membrane material; yet, polypropylene membranes exhibit extremely poor resistance to protein fouling. To ameliorate this issue, graphene oxide (GO) nanosheets were used to modify macroporous polypropylene membrane (MPPM) via layer-by-layer assembly technique through click reaction. First, alkyne-terminated GO was prepared through esterification between carboxyl groups in GO and amide groups in propargylamine; azide-terminated GO was synthesized by the ring-opening reaction of epoxy groups in GO with sodium azide. Second, GO was introduced to the membrane by click chemistry. Characterizations of infrared spectra and X-ray photoelectron spectroscopy confirmed the modification. The sharply decreasing of static water contact angle indicated the improvement of the surface hydrophilicity for GO modified membrane. Introducing GO to the membrane results in a dramatic increase of water flux, improvements in the antifouling characteristics and antibacterial property for the membranes. The pure water flux through the 5-layered GO modified membrane is 1.82 times that through the unmodified one. The water flux restores to 43.0% for the unmodified membrane while to 79.8% for the modified membrane. The relative flux reduction decreases by 32.1% due to GO modification. The antibacterial property was also enhanced by two-thirds. These results demonstrate that the antifouling and antibacterial characteristics can be raised by tethering GO to the membrane surface.

Layer-by-layer assembly of graphene oxide on polypropylene macroporous membranes via click chemistry to improve antibacterial and antifouling performance

International Nuclear Information System (INIS)

Zhang, Zhen-Bei; Wu, Jing-Jing; Su, Yu; Zhou, Jin; Gao, Yong; Yu, Hai-Yin; Gu, Jia-Shan

2015-01-01

Graphical abstract: - Highlights: • Clickable membrane prepared by photo bromination and S N 2 nucleophilic substitution. • Azide graphene oxide prepared by ring-opening reaction. • Alkyne graphene oxide was prepared via esterification reaction. • Layer-by-layer assembly of graphene oxide on membrane by click chemistry. • Antibacterial and antifouling characteristics were enhanced greatly. - Abstract: Polypropylene is an extensively used membrane material; yet, polypropylene membranes exhibit extremely poor resistance to protein fouling. To ameliorate this issue, graphene oxide (GO) nanosheets were used to modify macroporous polypropylene membrane (MPPM) via layer-by-layer assembly technique through click reaction. First, alkyne-terminated GO was prepared through esterification between carboxyl groups in GO and amide groups in propargylamine; azide-terminated GO was synthesized by the ring-opening reaction of epoxy groups in GO with sodium azide. Second, GO was introduced to the membrane by click chemistry. Characterizations of infrared spectra and X-ray photoelectron spectroscopy confirmed the modification. The sharply decreasing of static water contact angle indicated the improvement of the surface hydrophilicity for GO modified membrane. Introducing GO to the membrane results in a dramatic increase of water flux, improvements in the antifouling characteristics and antibacterial property for the membranes. The pure water flux through the 5-layered GO modified membrane is 1.82 times that through the unmodified one. The water flux restores to 43.0% for the unmodified membrane while to 79.8% for the modified membrane. The relative flux reduction decreases by 32.1% due to GO modification. The antibacterial property was also enhanced by two-thirds. These results demonstrate that the antifouling and antibacterial characteristics can be raised by tethering GO to the membrane surface

Chemistry and physical properties of estolides

International Nuclear Information System (INIS)

Isbell, T.A.

2011-01-01

Estolides are a developing class of natural and synthetic compounds that have been synthesized from hydroxy oils like castor and lesquerella or by the condensation of fatty acids across the olefin of a second fatty acid. Castor and lesquerella estolides are derived from either their triglycerides or their free fatty acids utilizing their hydroxyl moiety to establish the estolide bond. The triglyceride estolides have pour points of 9 to -36 degrees centigrade but suffer poor oxidative stability with RPVOT times of 29 - 52 minutes even with 1% of an anti-oxidant package incorporated into the samples. In contrast to the triglyceride estolides of castor and lesquerella, the estolides from lesquerolic and ricinoleic acids have very good pour points of -36 to - 54 degrees centigrade. Estolides derived from the acid catalyzed condensation of oleic acid with a variety of fatty acids can be made in good yield and posses a wide range of physical properties. Of particular interest are the saturated capped estolides of oleic that have both good low temperature properties (pour point -5 to -39 degrees centigrade) and good oxidative stability. Estolides from meadow foam fatty acids do not have good low temperature properties but have been extensively used in cosmetics where they provide good moisturizing properties. (Author).

Facts and views on the role of anionic impurities, crack tip chemistry and oxide films in environmentally assisted cracking

International Nuclear Information System (INIS)

Aaltonen, P.; Bojinov, M.; Helin, M.

2002-01-01

The aim of this literature study has been to evaluate the level of understanding of the role of anionic impurities in environmentally assisted cracking (EAC) of iron- and nickel-based alloys in the coolant conditions of a boiling water reactor (BWR) - type nuclear power plant, mainly under normal water chemistry (NWC). The study has been motivated by a need to find the most relevant experimental approaches that can be applied when looking for correlations between crack growth rate and measurable electrochemical and chemical parameters. Special crack tip chemistry conditions are established, when trace amounts are present in the BWR coolant and become enriched within a crack. Anions may influence both the conductivity and the pH of the coolant within the crack. In addition, they may influence the composition, structure and properties of the oxide films formed on crack walls either directly via adsorption or incorporation or indirectly via the effect of changes in pH within the crack. Based on the proposed mechanisms for EAC, oxide films formed on crack wall surfaces are likely to play a key role in determing the crack growth rate of structural materials. The prediction of the influence of anionic impurities is thus likely to be facilitated by means of understanding their effect on the films on crack walls. One of the most promising approaches to experimentally clarify this influence is based on investigating the electrochemical behaviour of oxide films Fe- and Ni-based materials in high-temperature conditions simulating the special chemistry within a stress corrosion crack. Results from such studies should be compared and combined with ex situ analytical results obtained using modern electron microscopic techniques. In addition to crack growth, currently available electro-chemical techniques should also be applied to find out whether crack initiation can be explained and modelled on the basis of the electrochemical behaviour of oxide films. (orig.)

Uranium chemistry: significant advances

International Nuclear Information System (INIS)

Mazzanti, M.

2011-01-01

The author reviews recent progress in uranium chemistry achieved in CEA laboratories. Like its neighbors in the Mendeleev chart uranium undergoes hydrolysis, oxidation and disproportionation reactions which make the chemistry of these species in water highly complex. The study of the chemistry of uranium in an anhydrous medium has led to correlate the structural and electronic differences observed in the interaction of uranium(III) and the lanthanides(III) with nitrogen or sulfur molecules and the effectiveness of these molecules in An(III)/Ln(III) separation via liquid-liquid extraction. Recent work on the redox reactivity of trivalent uranium U(III) in an organic medium with molecules such as water or an azide ion (N 3 - ) in stoichiometric quantities, led to extremely interesting uranium aggregates particular those involved in actinide migration in the environment or in aggregation problems in the fuel processing cycle. Another significant advance was the discovery of a compound containing the uranyl ion with a degree of oxidation (V) UO 2 + , obtained by oxidation of uranium(III). Recently chemists have succeeded in blocking the disproportionation reaction of uranyl(V) and in stabilizing polymetallic complexes of uranyl(V), opening the way to to a systematic study of the reactivity and the electronic and magnetic properties of uranyl(V) compounds. (A.C.)

An Analysis of Prospective Chemistry Teachers' Cognitive Structures through Flow Map Method: The Subject of Oxidation and Reduction

Science.gov (United States)

Temel, Senar

2016-01-01

This study aims to analyse prospective chemistry teachers' cognitive structures related to the subject of oxidation and reduction through a flow map method. Purposeful sampling method was employed in this study, and 8 prospective chemistry teachers from a group of students who had taken general chemistry and analytical chemistry courses were…

Engineering complex oxide interfaces for oxide electronics

NARCIS (Netherlands)

Roy, Saurabh

2015-01-01

A complex interplay of physics and chemistry in transition metal oxides determines their electronic, magnetic, and ferroic properties enabling a wide range of applications of these materials. BiFeO_3, a canonical multiferroic system exhibits the interesting feature of enhanced conductivity on

Impact of environmental chemistry on mycogenic Mn oxide minerals

Science.gov (United States)

Santelli, C. M.; Farfan, G. A.; Post, A.; Post, J. E.

2012-12-01

Manganese (Mn) oxide minerals are ubiquitous in aquatic and terrestrial environments and their presence can have broad environmental consequences. In particular, Mn oxides scavenge nutrients and metals, degrade complex organics, and oxidize a variety of inorganic contaminants. The "reactivity" of Mn oxides, however, is highly dependent upon crystallite size, composition, and structure, which are largely determined by environmental factors such as solution chemistry. It is has been suggested that most Mn oxides in terrestrial and aquatic environments are formed by microbial activity; indeed, a diversity of Mn(II)-oxidizing bacteria and fungi have been isolated and their mineral byproducts are consistent with those observed in natural systems. Previous studies showed that Mn(II)-oxidizing Ascomycete fungi produce highly-disordered, nanocrystalline Mn oxides that are structurally similar to synthetic δ-MnO2 or natural vernadite. Unlike related studies with Mn-oxidizing bacteria, Mn oxides produced by these fungi did not "age" or transform to more crystalline mineral phases with time. We hypothesize that fungal growth conditions, in particular the low concentration of cations, are inhibiting secondary mineral formation. The overall goal of this research is to examine the structure and speciation of fungally-precipitated Mn oxides with respect to fungal species, time, and concentration of soluble Mn(II), Na, and Ca - three environmentally relevant cations that promote the transformation of δ-MnO2 to more crystalline mineral phases such as feitknechtite, birnessite, or ranciéite. For this study, we examined the Mn oxides formed by different species of Mn(II)-oxidizing fungi (Pyrenochaeta sp., Stagonospora sp., Plectosphaerella cucumerina., and Acremonium strictum). Isolates were grown for 8 or 16 days in a nutrient lean media consisting of yeast extract, trace elements and 0.2 mM MnCl2 supplemented with varying concentrations of Na, Ca, or Mn(II) compounds. The

Adsorption of ethylene carbonate on lithium cobalt oxide thin films: A synchrotron-based spectroscopic study of the surface chemistry

Science.gov (United States)

Fingerle, Mathias; Späth, Thomas; Schulz, Natalia; Hausbrand, René

2017-11-01

The surface chemistry of cathodic lithium cobalt oxide (LiCoO2) in contact with the Li-ion battery solvent ethylene carbonate (EC) was studied via synchrotron based soft X-ray photoelectron spectroscopy (SXPS). By stepwise in-situ adsorption of EC onto an rf-magnetron sputtered LiCoO2 thin film and consecutive recording of SXPS spectra, the chemical and electronic properties of the interface were determined. EC partially decomposes and forms a predominantly organic adlayer. Prolonged exposure results in the formation of a condensed EC layer, demonstrating that the decomposition layer has passivating properties. Lithium ions deintercalate from the electrode and are dissolved in the adsorbate phase, without forming a large amount of Li-containing reaction products, indicating that electrolyte reduction remains limited. Due to a large offset between the LiCoO2 valence band and the EC HOMO, oxidation of EC molecules is unlikely, and should require energy level shifts due to interaction or double layer effects for real systems.

Chemistry and liquid chromatography methods for the analyses of primary oxidation products of triacylglycerols.

Science.gov (United States)

Zeb, A

2015-05-01

Triacylglycerols (TAGs) are one of the major components of the cells in higher biological systems, which can act as an energy reservoir in the living cells. The unsaturated fatty acid moiety is the key site of oxidation and formation of oxidation compounds. The TAG free radical generates several primary oxidation compounds. These include hydroperoxides, hydroxides, epidioxides, hydroperoxy epidioxides, hydroxyl epidioxides, and epoxides. The presence of these oxidized TAGs in the cell increases the chances of several detrimental processes. For this purpose, several liquid chromatography (LC) methods were reported in their analyses. This review is therefore focused on the chemistry, oxidation, extraction, and the LC methods reported in the analyses of oxidized TAGs. The studies on thin-layer chromatography were mostly focused on the total oxidized TAGs separation and employ hexane as major solvent. High-performance LC (HPLC) methods were discussed in details along with their merits and demerits. It was found that most of the HPLC methods employed isocratic elution with methanol and acetonitrile as major solvents with an ultraviolet detector. The coupling of HPLC with mass spectrometry (MS) highly increases the efficiency of analysis as well as enables reliable structural elucidation. The use of MS was found to be helpful in studying the oxidation chemistry of TAGs and needs to be extended to the complex biological systems.

Beryllium chemistry and processing

CERN Document Server

Walsh, Kenneth A

2009-01-01

This book introduces beryllium; its history, its chemical, mechanical, and physical properties including nuclear properties. The 29 chapters include the mineralogy of beryllium and the preferred global sources of ore bodies. The identification and specifics of the industrial metallurgical processes used to form oxide from the ore and then metal from the oxide are thoroughly described. The special features of beryllium chemistry are introduced, including analytical chemical practices. Beryllium compounds of industrial interest are identified and discussed. Alloying, casting, powder processing, forming, metal removal, joining and other manufacturing processes are covered. The effect of composition and process on the mechanical and physical properties of beryllium alloys assists the reader in material selection. The physical metallurgy chapter brings conformity between chemical and physical metallurgical processing of beryllium, metal, alloys, and compounds. The environmental degradation of beryllium and its all...

Surface chemistry, microstructure and friction properties of some ferrous-base metallic glasses at temperatures to 750 C

Science.gov (United States)

Miyoshi, K.; Buckley, D. H.

1982-01-01

X-ray photoelectron spectroscopy analysis, transmission electron microscopy, diffraction studies, and sliding friction experiments were conducted with ferrous-base metallic glasses in sliding contact with aluminum oxide at temperatures from room to 750 C in a vacuum of 30 nPa. The results indicate that there is a significant temperature influence on the friction properties, surface chemistry, and microstructure of metallic glasses. The relative concentrations of the various constituents at the surface of the sputtered specimens were very different from the normal bulk compositions. Contaminants can come from the bulk of the material to the surface upon heating and impart boric oxide and silicon oxide at 350 C and boron nitride above 500 C. The coefficient of friction increased with increasing temperature to 350 C. Above 500 C the coefficient of friction decreased rapidly. The segregation of contaminants may be responsible for the friction behavior.

Surface chemistry and cytotoxicity of reactively sputtered tantalum oxide films on NiTi plates

Energy Technology Data Exchange (ETDEWEB)

McNamara, K. [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Department of Physics & Energy, University of Limerick, Limerick (Ireland); Kolaj-Robin, O.; Belochapkine, S.; Laffir, F. [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Gandhi, A.A. [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Department of Physics & Energy, University of Limerick, Limerick (Ireland); Tofail, S.A.M., E-mail: tofail.syed@ul.ie [Materials and Surface Science Institute, University of Limerick, Limerick (Ireland); Department of Physics & Energy, University of Limerick, Limerick (Ireland)

2015-08-31

NiTi, an equiatomic alloy containing nickel and titanium, exhibits unique properties such as shape memory effect and superelasticity. NiTi also forms a spontaneous protective titanium dioxide (TiO{sub 2}) layer that allows its use in biomedical applications. Despite the widely perceived biocompatibility there remain some concerns about the sustainability of the alloy's biocompatibility due to the defects in the TiO{sub 2} protective layer and the presence of high amount of sub-surface Ni, which can give allergic reactions. Many surface treatments have been investigated to try to improve both the corrosion resistance and biocompatibility of this layer. For such purposes, we have sputter deposited tantalum (Ta) oxide thin films onto the surface of the NiTi alloy. Despite being one of the promising metals for biomedical applications, Ta, and its various oxides and their interactions with cells have received relatively less attention. The oxidation chemistry, crystal structure, morphology and biocompatibility of these films have been investigated. In general, reactive sputtering especially in the presence of a low oxygen mixture yields a thicker film with better control of the film quality. The sputtering power influenced the surface oxidation states of Ta. Both microscopic and quantitative cytotoxicity measurements show that Ta films on NiTi are biocompatible with little to no variation in cytotoxic response when the surface oxidation state of Ta changes. - Highlights: • Reactive sputtering in low oxygen mixture yields thicker better quality films. • Sputtering power influenced surface oxidation states of Ta. • Cytotoxicity measurements show Ta films on NiTi are biocompatible. • Little to no variation in cytotoxic response when oxidation state changes.

Modeling of the chemistry in oxidation flow reactors with high initial NO

Science.gov (United States)

Peng, Zhe; Jimenez, Jose L.

2017-10-01

Oxidation flow reactors (OFRs) are increasingly employed in atmospheric chemistry research because of their high efficiency of OH radical production from low-pressure Hg lamp emissions at both 185 and 254 nm (OFR185) or 254 nm only (OFR254). OFRs have been thought to be limited to studying low-NO chemistry (in which peroxy radicals (RO2) react preferentially with HO2) because NO is very rapidly oxidized by the high concentrations of O3, HO2, and OH in OFRs. However, many groups are performing experiments by aging combustion exhaust with high NO levels or adding NO in the hopes of simulating high-NO chemistry (in which RO2 + NO dominates). This work systematically explores the chemistry in OFRs with high initial NO. Using box modeling, we investigate the interconversion of N-containing species and the uncertainties due to kinetic parameters. Simple initial injection of NO in OFR185 can result in more RO2 reacted with NO than with HO2 and minor non-tropospheric photolysis, but only under a very narrow set of conditions (high water mixing ratio, low UV intensity, low external OH reactivity (OHRext), and initial NO concentration (NOin) of tens to hundreds of ppb) that account for a very small fraction of the input parameter space. These conditions are generally far away from experimental conditions of published OFR studies with high initial NO. In particular, studies of aerosol formation from vehicle emissions in OFRs often used OHRext and NOin several orders of magnitude higher. Due to extremely high OHRext and NOin, some studies may have resulted in substantial non-tropospheric photolysis, strong delay to RO2 chemistry due to peroxynitrate formation, VOC reactions with NO3 dominating over those with OH, and faster reactions of OH-aromatic adducts with NO2 than those with O2, all of which are irrelevant to ambient VOC photooxidation chemistry. Some of the negative effects are the worst for alkene and aromatic precursors. To avoid undesired chemistry, vehicle emissions

Pentavalent Uranium Chemistry - Synthetic Pursuit Of A Rare Oxidation State

Energy Technology Data Exchange (ETDEWEB)

Graves, Christopher R [Los Alamos National Laboratory; Kiplinger, Jaqueline L [Los Alamos National Laboratory

2009-01-01

This feature article presents a comprehensive overview of pentavalent uranium systems in non-aqueous solution with a focus on the various synthetic avenues employed to access this unusual and very important oxidation state. Selected characterization data and theoretical aspects are also included. The purpose is to provide a perspective on this rapidly evolving field and identify new possibilities for future developments in pentavalent uranium chemistry.

Sulfated tin oxide (STO – Structural properties and application in catalysis: A review

Directory of Open Access Journals (Sweden)

Ravi Varala

2016-07-01

Full Text Available Catalysis is an important area of chemistry, with an extensive amount of work going on in this area of sciences, toward synthesis and evaluation of newer catalysts. There are many reports for different conversion reactions such as oxidation, reduction, coupling, alkylation, and acylation for which various catalysts have been used such as mixed metal oxides, metal nanoparticles, metal organic complexes and many others. Among the many catalysts reported, the one catalyst that caught our attention due to its exploitation for a plethora of organic conversions is the sulfated tin oxide (STO, which is due to the low cost, greater stability and high efficiency of the catalyst. In this review, we have attempted to compile data about the structural properties of STO, and its applications as catalysts in various organic synthesis are presented. The literature data up to 2014 were collected and considered for the review.

Chemistry and electronics of oxides from carbon dioxide to perovskite

International Nuclear Information System (INIS)

Koinuma, Hideomi

2005-01-01

Oxides are thermodynamic stable form of materials in terrestrial conditions to exist as final products of energy consumption proceeding in nature as well as in civilization. The accumulation of heat capacitive CO 2 in atmosphere is becoming a serious environmental problem. Solid oxides as minerals in the earth shell had been used mainly for heat resistant structural materials as well as for raw materials of metals, but recent advanced chemistry and physics have been manifesting new electronic and chemical potentials hidden in oxides. Current interest and studies on oxides are directed towards two main areas: (1) prevention of CO 2 increase in atmosphere by its fixation and/or by saving the consumption of fossil fuels and (2) discovery and utilization of superfunctionality in oxides. Triggered by Bednorz and Muller's discovery of high Tc superconductor, the latter topics have been attracting rapidly growing interest from viewpoints of both fundamental research and practical application. In commemoration of WOE homecoming to the place of inauguration, a founder of WOE appreciates much to the program committee for providing him with this opportunity of briefing the workshop motivation and of reviewing his research career on oxide materials

Investigations of Nitrogen Oxide Plasmas: Fundamental Chemistry and Surface Reactivity and Monitoring Student Perceptions in a General Chemistry Recitation

Science.gov (United States)

Blechle, Joshua M.

2016-01-01

Part I of this dissertation focuses on investigations of nitrogen oxide plasma systems. With increasing concerns over the environmental presence of NxOy species, there is growing interest in utilizing plasma-assisted conversion techniques. Advances, however, have been limited because of the lack of knowledge regarding the fundamental chemistry of…

Rare earth oxide aero- and xerogels. Tuning porosity and catalytic properties

International Nuclear Information System (INIS)

Neumann, Bjoern

2013-11-01

Heterogeneous catalysts to this day are still largely developed on the basis of trial and error. This is due to the great difficulty of creating custom-designed structures at the nanometer scale using traditional preparation methods. In the course of recent rapid developments in the material sciences, however, it has become possible to create materials with custom-designed properties from the macroscopic down into the nanometer range. The purpose of the present study was to make use of this potential for catalysis. The task was to modify the porosity and composition of selected rare earth oxides that promise well as catalysts with the goal of obtaining good results in terms of oxidative reactions and oxidative coupling. One major focus was on chemical sol-gel methods and in particular on what is referred to as the epoxide addition method. Extensive work was put into the characterisation and catalytic testing of aerogels and xerogels of pure rare earth oxides as well as of hybrid systems of rare earth oxides and aluminium oxide. Furthermore, thin xerogel films and macroporous monoliths were produced, the latter using a direct foaming method. The results of this work confirm the high potential of sol-gel chemistry for making porous materials of variable and controllable porosity and composition available for heterogeneous catalysis and creating more powerful catalysts. [de

Solution processed zinc oxide nanopyramid/silver nanowire transparent network films with highly tunable light scattering properties

KAUST Repository

Mehra, Saahil

2013-01-01

Metal nanowire transparent networks are promising replacements to indium tin oxide (ITO) transparent electrodes for optoelectronic devices. While the transparency and sheet resistance are key metrics for transparent electrode performance, independent control of the film light scattering properties is important to developing multifunctional electrodes for improved photovoltaic absorption. Here we show that controlled incorporation of ZnO nanopyramids into a metal nanowire network film affords independent, highly tunable control of the scattering properties (haze) with minimal effects on the transparency and sheet resistance. Varying the zinc oxide/silver nanostructure ratios prior to spray deposition results in sheet resistances, transmission (600 nm), and haze (600 nm) of 6-30 Ω □^-1, 68-86%, and 34-66%, respectively. Incorporation of zinc oxide nanopyramid scattering agents into the conducting nanowire mesh has a negligible effect on mesh connectivity, providing a straightforward method of controlling electrode scattering properties. The decoupling of the film scattering power and electrical characteristics makes these films promising candidates for highly scattering transparent electrodes in optoelectronic devices and can be generalized to other metal nanowire films as well as carbon nanotube transparent electrodes. © 2013 The Royal Society of Chemistry.

Physics and Chemistry on Well-Defined Semiconductor and Oxide Surfaces

Science.gov (United States)

Chen, Peijun

High resolution electron energy loss spectroscopy (HREELS) and other surface spectroscopic techniques have been employed to investigate the following two classes of surface/interface phenomena on well-defined semiconductor and oxide surfaces: (i) the fundamental physical and chemical processes involved in gas-solid interaction on silicon single crystal surfaces, and (ii) the physical and chemical properties of metal-oxide interfaces. The particular systems reported in this dissertation are: NH_3, PH_3 and B_ {10}H_{14} on Si(111)-(7 x 7); NH_3 on Si(100) -(2 x 1); atomic H on Si(111)-(7 x 7) and boron-modified Si(111); Al on Al_2O_3 and Sn on SiO_2.. On silicon surfaces, the surface dangling bonds function as the primary adsorption sites where surface chemical processes take place. The unambiguous identification of surface species by vibrational spectroscopy allows the elementary steps involved in these surface chemical processes to be followed on a molecular level. For adsorbate molecules such as NH_3 and PH_3, the nature of the initial low temperature (100 -300 K) adsorption is found to be dissociative, while that for B_{10}H_ {14} is non-dissociative. This has been deduced based upon the presence (or absence) of specific characteristic vibrational mode(s) on surface. By following the evolution of surface species as a function of temperature, the elementary steps leading to silicon nitride thin film growth and doping of silicon are elucidated. In the case of NH_3 on Si(111)-(7 x 7) and Si(100)-(2 x 1), a detailed understanding on the role of substrate surface structure in controlling the surface reactivity has been gained on the basis of a Si adatom backbond-strain relief mechanism on the Si(111) -(7 x 7). The electronic modification to Si(111) surface by subsurface boron doping has been shown to quench its surface chemistry, even for the most aggressive atomic H. This discovery is potentially meaningful to the technology of gas-phase silicon etching. The

Introduction to chemistry of crystalline zeolites and its applications

International Nuclear Information System (INIS)

Lobo Cabezas, Raul Francisco

2006-01-01

Establishes the zeolites as the most important group of solid acids and its relation to the contemporaneous chemical industry. It describes that zeolites are used in the following applications: refineries, chemicals/petrochemicals, environmental chemistry, separation of gas, adsorbent ia and ionic exchange in water purification in mineral processes, medicine and agricultural industry. Zeolites are defined as crystalline aluminium silicates with a compound structure of interconnected tetrahedrons. It mentions the key components in zeolites structure. It focuses that structural basic unity of the zeolite is the tetrahedron and compound structural unities are: cells and columns. Besides, it describes that pore system defines a lot of all its properties; but chemical composition affects them. Composition and properties of zeolites are established: adsorption, molecular sieves, acidity, selectivity, transition state in the hydrocarbon's chemistry. It concludes that the newer application of zeolite is in oxidations: Titanium-Silicate-1; production of propylene's oxide using peroxide of hydrogen as oxidizing. The catalysis is an active area of research, and the most popular areas are related to chemicals and the environment [es

The properties and transport phenomena in oxide films on iron, nickel, chromium and their alloys in aqueous environments

International Nuclear Information System (INIS)

Laitinen, T.; Bojinov, M.; Betova, I.; Maekelae, K.; Saario, T.

1999-01-01

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide films forming on pure iron, nickel and chromium and on iron- and nickel-based engineering alloys are considered. General approaches to model the structure and growth of oxide films on metals are discussed in detail. The specific features of the oxide structures, properties and growth at high temperatures are presented with special focus on the relevance of existing models. Finally, the role of oxide films in localised corrosion, oxide breakdown pitting. Stress corrosion cracking and related phenomena is considered. The films formed on the surfaces of iron- and nickel-based alloys in high-temperature aqueous environments generally comprise two layers, i.e. the so-called duplex structure. The inner part is normally enriched in chromium and has a more compact structure, while the outer part is enriched in iron and has a cracked or porous structure. The information collected clearly indicates the effect of the chemical environment on the properties of oxide films growing on metal surfaces

The properties and transport phenomena in oxide films on iron, nickel, chromium and their alloys in aqueous environments

Energy Technology Data Exchange (ETDEWEB)

Laitinen, T.; Bojinov, M.; Betova, I.; Maekelae, K.; Saario, T. [VTT Manufacturing Technology, Espoo (Finland)

1999-01-01

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide films forming on pure iron, nickel and chromium and on iron- and nickel-based engineering alloys are considered. General approaches to model the structure and growth of oxide films on metals are discussed in detail. The specific features of the oxide structures, properties and growth at high temperatures are presented with special focus on the relevance of existing models. Finally, the role of oxide films in localised corrosion, oxide breakdown pitting. Stress corrosion cracking and related phenomena is considered. The films formed on the surfaces of iron- and nickel-based alloys in high-temperature aqueous environments generally comprise two layers, i.e. the so-called duplex structure. The inner part is normally enriched in chromium and has a more compact structure, while the outer part is enriched in iron and has a cracked or porous structure. The information collected clearly indicates the effect of the chemical environment on the properties of oxide films growing on metal surfaces

Oxygen chemistry in biology: Vibrational spectroscopy, stable isotopes, and future applications

Energy Technology Data Exchange (ETDEWEB)

Babcock, G.T. [Michigan State Univ., East Lansing, MI (United States)

1994-12-01

Dioxygen is an ideally suited substrate for enzymatic manipulation in oxidation-reduction chemistry and in substrate transformation. It is a powerful oxidant with a midpoint potential of 0.815 at neutral pH; at the same time, however, it exists in a triplet state in its most stable electronic configuration. This latter property confers kinetic inertness as a result of spin-conservation restrictions on reaction chemistry. If these restrictions can be overcome and controlled, dioxygen`s high redox potential can be used to maximize efficiency in free-energy conversion processes and to effect activation of relatively inert substrates.

Chemistry and Properties of Complex Intermetallics from Metallic Fluxes

Energy Technology Data Exchange (ETDEWEB)

Kanatzidis, Mercouri G. [Northwestern Univ., Evanston, IL (United States)

2015-03-28

This project investigated the reaction chemistry and synthesis of new intermetallic materials with complex compositions and structures using metallic fluxes as solvents. It was found that the metallic fluxes offer several key advantages in facilitating the formation and crystal growth of new materials. The fluxes mostly explored were liquid aluminum, gallium and indium. The main purpose of this project was to exploit the potential of metallic fluxes as high temperature solvent for materials discovery in the broad class of intermetallics. This work opened new paths to compound formation. We discovered many new Si (or Ge)-based compounds with novel structures, bonding and physicochemical properties. We created new insights about the reaction chemistry that is responsible for stabilizing the new materials. We also studied the structural and compositional relationships to understand their properties. We investigated the use of Group-13 metals Al, Ga and In as solvents and have generated a wide variety of new results including several new ternary and quaternary materials with fascinating structures and properties as well as new insights as to how these systems are stabilized in the fluxes. The project focused on reactions of metals from the rare earth element family in combination with transition metals with Si and Ge. For example molten gallium has serves both as a reactive and non-reactive solvent in the preparation and crystallization of intermetallics in the system RE/M/Ga/Ge(Si). Molten indium behaves similarly in that it too is an excellent reaction medium, but it gives compounds that are different from those obtained from gallium. Some of the new phase identified in the aluminide class are complex phases and may be present in many advanced Al-matrix alloys. Such phases play a key role in determining (either beneficially or detrimentally) the mechanical properties of advanced Al-matrix alloys. This project enhanced our basic knowledge of the solid state chemistry

Defect Chemistry of Oxides for Energy Applications.

Science.gov (United States)

Schweke, Danielle; Mordehovitz, Yuval; Halabi, Mahdi; Shelly, Lee; Hayun, Shmuel

2018-05-31

Oxides are widely used for energy applications, as solid electrolytes in various solid oxide fuel cell devices or as catalysts (often associated with noble metal particles) for numerous reactions involving oxidation or reduction. Defects are the major factors governing the efficiency of a given oxide for the above applications. In this paper, the common defects in oxide systems and external factors influencing the defect concentration and distribution are presented, with special emphasis on ceria (CeO 2 ) based materials. It is shown that the behavior of a variety of oxide systems with respect to properties relevant for energy applications (conductivity and catalytic activity) can be rationalized by general considerations about the type and concentration of defects in the specific system. A new method based on transmission electron microscopy (TEM), recently reported by the authors for mapping space charge defects and measuring space charge potentials, is shown to be of potential importance for understanding conductivity mechanisms in oxides. The influence of defects on gas-surface reactions is exemplified on the interaction of CO 2 and H 2 O with ceria, by correlating between the defect distribution in the material and its adsorption capacity or splitting efficiency. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Properties Of And Transport Phenomena In Oxide Films On Iron, Nickel, Chromium And Their Alloys In Aqueous Environments

International Nuclear Information System (INIS)

Saario, T.; Laitinen, T.; Maekelae, K.; Bojinov, M.; Betova, I.

1998-07-01

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide films forming on pure iron, nickel and chromium and on iron- and nickel-based engineering alloys are considered. General approaches to model the structure and growth of oxide films on metals are discussed in detail. The specific features of the oxide structures, properties and growth at high temperatures are presented with special focus on the relevance of existing models. Finally, the role of oxide films in localised corrosion, oxide breakdown, pitting, stress corrosion cracking and related phenomena is considered. The films formed on the surfaces of iron- and nickel-based alloys in high-temperature aqueous environments generally comprise two layers, i.e. the so-called duplex structure. The inner part is normally enriched in chromium and has a more dense structure, while the outer part is enriched in iron and has a cracked or porous structure. The information collected clearly indicates the effect of the chemical environment on the properties of oxide films growing on metal surfaces

Session 4: The influence of elementary heterogeneous reforming chemistry within solid-oxide fuel cell anodes

Energy Technology Data Exchange (ETDEWEB)

Zhu, H.; Kee, R.J. [Engineering Division, Colorado School of Mines, Golden, CO (United States); Janardhanan, V.M.; Deutschmann, O. [Karlsruhe Univ., Institute for Chemical Technology (Germany); Goodwin, D.G. [Engineering and Applied Science., California Inst. of Technology, Pasadena, CA (United States); Sullivan, N.P. [ITN Energy Systems, Littleton, CO (United States)

2004-07-01

In the work presented a computational model is developed that represents the coupled effects of fluid flow in fuel channels, porous media transport and chemistry in the anode, and electrochemistry associated with the membrane-electrode assembly. An important objective is to explore the role of heterogeneous chemistry within the anode. In addition to cell electrical performance the chemistry model predicts important behaviors like catalyst-fouling deposit formation (i.e., coking). The model is applied to investigate alternative fuel-cell operating conditions, including varying fuel flow rates, adding air to the fuel stream, and recirculating exhaust gases. Results include assessments of performance metrics like fuel utilization, cell efficiency, power density, and catalyst coking. The model shows that 'direct electrochemical oxidation' of hydrocarbon fuels in solid-oxide fuel cells can be explained by a process that involves reforming the fuel to H{sub 2}, with hydrogen being the only species responsible for charge exchange. The model can be applied to investigate alternative design and operating conditions, seeking to improve the overall performance. (O.M.)

Surface chemistry and bonding configuration of ultrananocrystalline diamond surfaces and their effects on nanotribological properties

International Nuclear Information System (INIS)

Sumant, A. V.; Grierson, D. S.; Carpick, R. W.; Gerbi, J. E.; Carlisle, J. A.; Auciello, O.

2007-01-01

We present a comprehensive study of surface composition and nanotribology for ultrananocrystalline diamond (UNCD) surfaces, including the influence of film nucleation on these properties. We describe a methodology to characterize the underside of the films as revealed by sacrificial etching of the underlying substrate. This enables the study of the morphology and composition resulting from the nucleation and initial growth of the films, as well as the characterization of nanotribological properties which are relevant for applications including micro-/nanoelectromechanical systems. We study the surface chemistry, bonding configuration, and nanotribological properties of both the topside and the underside of the film with synchrotron-based x-ray absorption near-edge structure spectroscopy to identify the bonding state of the carbon atoms, x-ray photoelectron spectroscopy to determine the surface chemical composition, Auger electron spectroscopy to further verify the composition and bonding configuration, and quantitative atomic force microscopy to study the nanoscale topography and nanotribological properties. The films were grown on SiO 2 after mechanically polishing the surface with detonation synthesized nanodiamond powder, followed by ultrasonication in a methanol solution containing additional nanodiamond powder. The sp 2 fraction, morphology, and chemistry of the as-etched underside are distinct from the topside, exhibiting a higher sp 2 fraction, some oxidized carbon, and a smoother morphology. The nanoscale single-asperity work of adhesion between a diamond nanotip and the as-etched UNCD underside is far lower than for a silicon-silicon interface (59.2±2 vs 826±186 mJ/m 2 , respectively). Exposure to atomic hydrogen dramatically reduces nanoscale adhesion to 10.2±0.4 mJ/m 2 , at the level of van der Waals' interactions and consistent with recent ab initio calculations. Friction is substantially reduced as well, demonstrating a direct link between the

Coordination chemistry with phosphine and phosphine oxide-substituted hydroxyferrocenes.

Science.gov (United States)

Atkinson, Robert C J; Gibson, Vernon C; Long, Nicholas J; White, Andrew J P

2010-08-28

New unsymmetrical hydroxyferrocenes were synthesised from dibromoferrocene. The oxygen heteroatom was introduced via lithiation and quenching with bis-trimethylsilylperoxide followed by hydrolysis to unmask the hydroxyl functionality. The coordination chemistry of 1'-(diphenylphosphino)-1-hydroxyferrocene 2 was explored with palladium and rhodium precursors. A dinuclear palladium methyl complex with bridging ferrocenyloxo groups was obtained from the reaction between 2 and (cyclooctadiene)methylchloropalladium(II). With tetracarbonyldichlorodirhodium(I), two complexes were isolated. The major product was a bis ligand cis phosphine ligated complex with one ligand bound in a chelating mode and one with a pendant hydroxyl group. A minor product was crystallographically characterised as a dinuclear ferrocenyloxo-bridged rhodium carbonyl complex. The coordination chemistry of 2 and the corresponding phosphine oxide 3 was examined with group 4 metals and the resulting complexes examined as ethylene polymerisation catalysts. The ligands were found to bind in either a chelating fashion or with pendant phosphine donors. In all cases, low to moderately active ethylene polymerisation catalysts were found. The catalysts were very unstable and catalyst residues were observed in the isolated polymer indicating a short catalyst lifetime.

Structural chemistry of superconducting pnictides and pnictide oxides with layered structures

Energy Technology Data Exchange (ETDEWEB)

Johrendt, Dirk [Ludwig-Maximilians-Univ. Muenchen (Germany). Dept. Chemie und Biochemie; Hosono, Hideo [Tokyo Institute of Technology, Yokohama (Japan). Frontier Research Center; Hoffmann, Rolf-Dieter; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

2011-07-01

The basic structural chemistry of superconducting pnictides and pnictide oxides is reviewed. Crystal chemical details of selected compounds and group subgroup schemes are discussed with respect to phase transitions upon charge-density formation, the ordering of vacancies, or the ordered displacements of oxygen atoms. Furthermore, the influences of doping and solid solutions on the valence electron concentration are discussed in order to highlight the structural and electronic flexibility of these materials. (orig.)

Green chemistry perspectives of methane conversion via oxidative methylation of aromatics over zeolite catalysts

Energy Technology Data Exchange (ETDEWEB)

Adebajo, M.O. [University of Queensland, St Lucia, Qld. (Australia)

2007-06-15

This paper provides a general overview of the recent work that we and other researchers have done on the utilisation of methane for catalytic methylation of aromatic compounds and for direct coal liquefaction for the production of liquid hydrocarbons. In particular, the paper presents a detailed description of more recent substantial experimental evidence that we have provided for the requirement of oxygen as a stoichiometry reactant for benzene methylation with methane over moderately acidic zeolite catalysts. The reaction, which has been termed 'oxidative methylation', was thus postulated to involve a two-step mechanism involving intermediate methanol formation by methane partial oxidation, followed by benzene methylation with methanol in the second step. However, strongly acidic zeolites can cause cracking of benzene to yield methylated products in the absence of oxygen. The participation of methane and oxygen, and the effective use of zeolite catalysts in this methylation reaction definitely have some positive green chemistry implications. Thus, the results of these previous studies are also discussed in this review in light of the principles and tools of green chemistry. Various metrics were used to evaluate the greenness, cost-effectiveness, and material and energy efficiency of the oxidative methylation reaction.

Research for the advancement of green chemistry practice: Studies in atmospheric and educational chemistry

Science.gov (United States)

Cullipher, Steven Gene

Green chemistry is a philosophy of chemistry that emphasizes a decreasing dependence on limited non-renewable resources and an increasing focus on preventing pollution byproducts of the chemical industry. In short, it is the discipline of chemistry practiced through the lens of environmental stewardship. In an effort to advance the practice of green chemistry, three studies will be described that have ramifications for the practice. The first study examines the atmospheric oxidation of a hydrofluorinated ether, a third-generation CFC replacement compound with primarily unknown atmospheric degradation products. Determination of these products has the potential to impact decisions on refrigerant usage in the future. The second study examines chemistry students' development of understanding benefits-costs-risks analysis when presented with two real-world scenarios: refrigerant choice and fuel choice. By studying how benefits-costs-risks thinking develops, curricular materials and instructional approaches can be designed to better foster the development of an ability that is both necessary for green chemists and important in daily decision-making for non-chemists. The final study uses eye tracking technology to examine students' abilities to interpret molecular properties from structural information in the context of global warming. Such abilities are fundamental if chemists are to appropriately assess risks and hazards of chemistry practice.

Ionic Liquids in Selective Oxidation: Catalysts and Solvents.

Science.gov (United States)

Dai, Chengna; Zhang, Jie; Huang, Chongpin; Lei, Zhigang

2017-05-24

Selective oxidation has an important role in environmental and green chemistry (e.g., oxidative desulfurization of fuels and oxidative removal of mercury) as well as chemicals and intermediates chemistry to obtain high-value-added special products (e.g., organic sulfoxides and sulfones, aldehydes, ketones, carboxylic acids, epoxides, esters, and lactones). Due to their unique physical properties such as the nonvolatility, thermal stability, nonexplosion, high polarity, and temperature-dependent miscibility with water, ionic liquids (ILs) have attracted considerable attention as reaction solvents and media for selective oxidations and are considered as green alternatives to volatile organic solvents. Moreover, for easy separation and recyclable utilization, IL catalysts have attracted unprecedented attention as "biphasic catalyst" or "immobilized catalyst" by immobilizing metal- or nonmetal-containing ILs onto mineral or polymer supports to combine the unique properties of ILs (chemical and thermal stability, capacity for extraction of polar substrates and reaction products) with the extended surface of the supports. This review highlights the most recent outcomes on ILs in several important typical oxidation reactions. The contents are arranged in the series of oxidation of sulfides, oxidation of alcohols, epoxidation of alkenes, Baeyer-Villiger oxidation reaction, oxidation of alkanes, and oxidation of other compounds step by step involving ILs as solvents, catalysts, reagents, or their combinations.

Non-uniform Solute Segregation at Semi-Coherent Metal/Oxide Interfaces

Science.gov (United States)

Choudhury, Samrat; Aguiar, Jeffery A.; Fluss, Michael J.; Hsiung, Luke L.; Misra, Amit; Uberuaga, Blas P.

2015-08-01

The properties and performance of metal/oxide nanocomposites are governed by the structure and chemistry of the metal/oxide interfaces. Here we report an integrated theoretical and experimental study examining the role of interfacial structure, particularly misfit dislocations, on solute segregation at a metal/oxide interface. We find that the local oxygen environment, which varies significantly between the misfit dislocations and the coherent terraces, dictates the segregation tendency of solutes to the interface. Depending on the nature of the solute and local oxygen content, segregation to misfit dislocations can change from attraction to repulsion, revealing the complex interplay between chemistry and structure at metal/oxide interfaces. These findings indicate that the solute chemistry at misfit dislocations is controlled by the dislocation density and oxygen content. Fundamental thermodynamic concepts - the Hume-Rothery rules and the Ellingham diagram - qualitatively predict the segregation behavior of solutes to such interfaces, providing design rules for novel interfacial chemistries.

Water-soluble highly fluorinated graphite oxide

Czech Academy of Sciences Publication Activity Database

Jankovský, O.; Šimek, P.; Sedmidubský, D.; Matějková, Stanislava; Janoušek, Zbyněk; Šembera, Filip; Pumera, M.; Sofer, Z.

2014-01-01

Roč. 4, č. 3 (2014), s. 1378-1387 ISSN 2046-2069 Institutional support: RVO:61388963 Keywords : graphene oxide * electronic- properties * monolayer graphene * raman-spectroscopy Subject RIV: CC - Organic Chemistry Impact factor: 3.840, year: 2014

Understanding of catalysis on early transition metal oxide-based catalysts through exploration of surface structure and chemistry during catalysis using in-situ approaches

Energy Technology Data Exchange (ETDEWEB)

Tao, Franklin [Univ. of Kansas, Lawrence, KS (United States). Dept. of Chemical and Petroleum Engineering. Dept. of Chemistry

2015-09-14

Two main categories of heterogeneous catalysts are metal and metal oxide which catalyze 80% chemical reactions at solid-gas and solid-liquid interfaces. Metal oxide catalysts are much more complicated than metal catalysts. The reason is that the cations of the metal atoms could exhibit a few different oxidation states on surface of the same catalyst particle such as Co₃O₄ or change of their oxidation states under different reactive environments. For a metal catalyst, there is only one oxidation state typically. In addition, surface of a metal oxide can be terminated with multiple surface functionalities including O atoms with different binding configurations and OH group. For metal, only metal atoms are exposed typically. Obviously, the complication of surface chemistry and structure of a metal oxide makes studies of surface of an oxide catalyst very challenging. Due to the complication of surface of a meal oxide, the electronic and geometric structures of surface of a metal oxide and the exposed species have received enormous attention since oxide catalysts catalyze at least 1/3 chemical reactions in chemical and energy industries. Understanding of catalytic reactions on early transition metal oxide-based catalysts is fundamentally intriguing and of great practical interest in energy- and environment-related catalysis. Exploration of surface chemistry of oxide-based catalysts at molecular level during catalysis has remained challenging though it is critical in deeply understanding catalysis on oxide-based catalysts and developing oxide-based catalysts with high activity and selectivity. Thus, the overall objective of this project is to explore surface chemistry and structure of early transition metal oxide-based catalysts through in-situ characterization of surface of catalysts, measurements of catalytic performances, and then build an intrinsic correlation of surface chemistry and structure with their catalytic performances in a few

Ruthenium and Platinum Catalysts Supported on Ce, Zr, Pr-O Mixed Oxides Prepared by Soft Chemistry for Acetic Acid Wet Air Oxidation

Czech Academy of Sciences Publication Activity Database

Mikulová, Jana; Rossignol, S.; Barbier Jr., J.; Mesnard, D.; Kappenstein, C.; Duprez, D.

2007-01-01

Roč. 72, 1-2 (2007), s. 1-10 ISSN 0926-3373 Institutional research plan: CEZ:AV0Z40720504 Keywords : sol-gel * catalytic wet air oxidation * acetic acid Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 4.651, year: 2007

New approaches to chemical reaction mechanisms by means of radiation chemistry

International Nuclear Information System (INIS)

Fujitsuka, Mamoru; Majima, Tetsuro

2009-01-01

Since active species generated during radiolysis can be used as oxidative or reductive regents of various organic and inorganic compounds, radiation chemistry has been applied to wide range of research fields. We have studied charge-delocalization process in molecular systems, properties of intermediates in the excited states, mechanism of light emitting device, photo-catalyst for degradation of toxic compounds and so on by means of radiation chemistry. In the present paper, we summarize our recent research results. (author)

Prospective Chemistry Teachers' Misconceptions about Colligative Properties: Boiling Point Elevation and Freezing Point Depression

Science.gov (United States)

Pinarbasi, Tacettin; Sozbilir, Mustafa; Canpolat, Nurtac

2009-01-01

This study aimed at identifying prospective chemistry teachers' misconceptions of colligative properties. In order to fulfill this aim, a diagnostic test composed of four open-ended questions was used. The test was administered to seventy-eight prospective chemistry teachers just before qualifying to teaching in secondary schools. Nine different…

Structure and properties of tempo-oxidized cotton fibers

Directory of Open Access Journals (Sweden)

Milanovic Jovana

2012-01-01

Full Text Available In this paper, the influence of the catalytic oxidation using water soluble and stable nitroxyl radical 2,2´,6,6´-tetramethylpiperidine-1-oxyl (TEMPO on structure and properties of cotton fibers was studied. In particular, the selective TEMPO-mediated oxidation has become very interesting way for introduction of functional groups into cellulose fibers with the aim to obtain oxycellulose fibers with specific properties. Unmodified and modified fibers were characterized in terms of weight loss values, introduced functional groups and crystallinity index. Also, oxidized fibers were characterized in terms of the sorption, morphological, and physico-mechanical properties. The TEMPO-oxidized cotton fibers show a minimum increase of fineness (from 1.32 to 1.28 dtex and increase of crystallinity index (up to 91.9%, while the tensile strength of fibers decreases (up to 10.82 cN/tex. By the TEMPO-mediated oxidation of cotton fibers significant amount of carboxyl groups (up to 0.795 mmol/g cell can be introduced into cellulose fibers. Introduced hydrophilic carboxyl groups increases the sorption properties of oxidized fibers, that can be used directly or for further chemical modification.

Correlating activity incorporation with properties of oxide films formed on material samples exposed to BWR and PWR coolants in Finnish nuclear power plants

Energy Technology Data Exchange (ETDEWEB)

Bojinov, M.; Kinnunen, P.; Laitinen, T.; Maekelae, K.; Saario, T.; Sirkiae, P. [VTT Industrial Systems, Espoo (Finland); Buddas, T.; Halin, M.; Kvarnstroem, R.; Tompuri, K. [Fortum Power and Heat Oy, Loviisa Power Plant, Loviisa (Finland); Helin, M.; Muttilainen, E.; Reinvall, A. [Teollisuuden Voima Oy, Olkiluoto (Finland)

2002-07-01

The extent of activity incorporation on primary circuit surfaces in nuclear power plants is connected to the chemical composition of the coolant, to the corrosion behaviour of the material surfaces and to the structure and properties of oxide films formed on circuit surfaces due to corrosion. Possible changes in operational conditions may induce changes in the structure of the oxide films and thus in the rate of activity incorporation. To predict these changes, experimental correlations between water chemistry, oxide films and activity incorporation, as well as mechanistic understanding of the related phenomena need to be established. In order to do this, flow-through cells with material samples and facilities for high-temperature water chemistry monitoring have been installed at Olkiluoto unit 1 (BWR) and Loviisa unit 1 (PWR) in spring 2000. The cells are being used for two major purposes: To observe the changes in the structure and activity levels of oxide films formed on material samples exposed to the primary coolant. Correlating these observations with the abundant chemical and radiochemical data on coolant composition, dose rates etc. collected routinely by the plant, as well as with high-temperature water chemistry monitoring data such as the corrosion potentials of relevant material samples, the redox potential and the high-temperature conductivity of the primary coolant. We describe in this paper the scope of the work, give examples of the observations made and summarize the results on oxide films that have been obtained during one full fuel cycle at both plants. (authors)

Optical properties and electronic transitions of zinc oxide, ferric oxide, cerium oxide, and samarium oxide in the ultraviolet and extreme ultraviolet

DEFF Research Database (Denmark)

Pauly, N; Yubero, F; Espinós, J P

2017-01-01

Optical properties and electronic transitions of four oxides, namely zinc oxide, ferric oxide, cerium oxide, and samarium oxide, are determined in the ultraviolet and extreme ultraviolet by reflection electron energy loss spectroscopy using primary electron energies in the range 0.3-2.0 ke...

The Optical Properties of Limonene Secondary Organic Aerosols: The Role of NO3, OH, and O3 in the Oxidation Processes

Science.gov (United States)

Peng, Chao; Wang, Weigang; Li, Kun; Li, Junling; Zhou, Li; Wang, Lingshu; Ge, Maofa

2018-03-01

Limonene, a typical proxy of monoterpenes emitted from biogenic sources, plays an important role in secondary organic aerosol (SOA) formation. However, the optical properties of SOA generated from limonene under various oxidation pathways remain poorly understood. In this study, we investigate the refractive index (RI) of limonene SOA produced from four oxidation conditions with cavity ring-down spectrometer (CRDS) and photoacoustic extinctiometer operated at 532 and 375 nm. Our results show that there is a significant difference in RI values of SOA produced from NO3 oxidation compared to other oxidation pathways. The mean values of RI of SOA produced from NO3 oxidation, NOx oxidation, OH oxidation with NOx-free, and O3 oxidation experiments are 1.578, 1.469, 1.495, and 1.494 at 532 nm; and 1.591, 1.527, 1.513, and 1.537 at 375 nm, respectively, while no detectable absorption is found in all oxidation conditions. We attribute the high RI values of SOA by NO3 oxidation to two factors: a large proportion of organic nitrates and high-molecular-weight dimers/oligomers in the SOA. Our study results indicate that the nighttime chemistry may significantly influence the optical properties of limonene oxidation products. The RI values of limonene SOA generated under various oxidation conditions at different wavelengths retrieved in our laboratory experiments could help improve the model predictions for evaluating the effect of biogenic SOA on the global radiative forcing as well as climate change.

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

Science.gov (United States)

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

2015-01-01

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

Cross-Course Collaboration in the Undergraduate Chemistry Curriculum: Primary Kinetic Isotope Effect in the Hypochlorite Oxidation of 1-Phenylethanol in the Physical Chemistry Laboratory

Science.gov (United States)

Noll, Robert J.; Fitch, Richard W.; Kjonaas, Richard A.; Wyatt, Richard A.

2017-01-01

A kinetic isotope effect (KIE) experiment is described for the physical chemistry laboratory. Students conduct a hypochlorite (household bleach) oxidation of an equimolar mixture of 1-phenylethanol and 1-deuterio-1-phenylethanol to acetophenone. The reaction occurs in a biphasic reaction mixture and follows first-order kinetics with respect to…

Theoretical chemistry periodicities in chemistry and biology

CERN Document Server

Eyring, Henry

1978-01-01

Theoretical Chemistry: Periodicities in Chemistry and Biology, Volume 4 covers the aspects of theoretical chemistry. The book discusses the stably rotating patterns of reaction and diffusion; the chemistry of inorganic systems exhibiting nonmonotonic behavior; and population cycles. The text also describes the mathematical modeling of excitable media in neurobiology and chemistry; oscillating enzyme reactions; and oscillatory properties and excitability of the heart cell membrane. Selected topics from the theory of physico-chemical instabilities are also encompassed. Chemists, mechanical engin

A coordination chemistry approach for modeling trace element adsorption

International Nuclear Information System (INIS)

Bourg, A.C.M.

1986-01-01

The traditional distribution coefficient, Kd, is highly dependent on the water chemistry and the surface properties of the geological system being studied and is therefore quite inappropriate for use in predictive models. Adsorption, one of the many processes included in Kd values, is described here using a coordination chemistry approach. The concept of adsorption of cationic trace elements by solid hydrous oxides can be applied to natural solids. The adsorption process is thus understood in terms of a classical complexation leading to the formation of surface (heterogeneous) ligands. Applications of this concept to some freshwater, estuarine and marine environments are discussed. (author)

Ab initio study of perovskite type oxide materials for solid oxide fuel cells

Science.gov (United States)

Lee, Yueh-Lin

2011-12-01

Perovskite type oxides form a family of materials of significant interest for cathodes and electrolytes of solid oxide fuel cells (SOFCs). These perovskites not only are active catalysts for surface oxygen reduction (OR) reactions but also allow incorporating the spilt oxygen monomers into their bulk, an unusual and poorly understood catalytic mechanism that couples surface and bulk properties. The OR mechanisms can be influenced strongly by defects in perovskite oxides, composition, and surface defect structures. This thesis work initiates a first step in developing a general strategy based on first-principles calculations for detailed control of oxygen vacancy content, transport rates of surface and bulk oxygen species, and surface/interfacial reaction kinetics. Ab initio density functional theory methods are used to model properties relevant for the OR reactions on SOFC cathodes. Three main research thrusts, which focus on bulk defect chemistry, surface defect structures and surface energetics, and surface catalytic properties, are carried to investigate different level of material chemistry for improved understanding of key physics/factors that govern SOFC cathode OR activity. In the study of bulk defect chemistry, an ab initio based defect model is developed for modeling defect chemistry of LaMnO 3 under SOFC conditions. The model suggests an important role for defect interactions, which are typically excluded in previous defect models. In the study of surface defect structures and surface energetics, it is shown that defect energies change dramatically (1˜2 eV lower) from bulk values near surfaces. Based on the existing bulk defect model with the calculated ab initio surface defect energetics, we predict the (001) MnO 2 surface oxygen vacancy concentration of (La0.9Sr0.1 )MnO3 is about 5˜6 order magnitude higher than that of the bulk under typical SOFC conditions. Finally, for surface catalytic properties, we show that area specific resistance, oxygen

Low Temperature Synthesis and Properties of Gadolinium-Doped Cerium Oxide Nanoparticles

DEFF Research Database (Denmark)

Machado, M. F. S.; Moraes, L. P. R.; Monteiro, N. K.

2017-01-01

Gadolinium-doped cerium oxide (GDC) is an attractive ceramic material for solid oxide fuel cells (SOFCs) both as the electrolyte and in composite electrodes operating at low and intermediate temperatures. GDC exhibits high oxygen ion conductivity at a wide range of temperatures and displays a high...... resistance to carbon deposition when hydrocarbons are used as fuels. However, an inconvenience of ceria-based oxides is the high sintering temperature needed to obtain a fully dense ceramic body. In this study, a green chemistry route for the synthesis of 10 mol% GDC nanoparticles is proposed. The aqueous...

One-step synthesis of sea urchin-like alpha-MnO2 using KIO4 as the oxidant and its oxidation of arsenite

NARCIS (Netherlands)

Wang, M.X.; Tan, W.F.; Feng, X.H.; Koopal, L.K.; Liu, M.M.; Liu, F.

2012-01-01

Among several types of manganese oxides alpha-MnO2 is the most active due to its good catalytic, adsorption and ion exchange properties. Sea urchin-like alpha-MnO2 particles were synthesized by a one-step chemistry route at room temperature using MnSO4 in combination with KIO4 as oxidant. The

Study on the solid state chemistry of ternary uranium oxides

International Nuclear Information System (INIS)

Yamashita, Toshiyuki

1988-03-01

With the increase of burnup of uranium oxide fuels, various kinds of fission products are formed, and the oxygen atoms combined with the consumed heavy atoms are freed. The solid state chemical and/or thermodynamic properties of these elements at high temperatures are complex, and have not been well clarified. In the present report, an approach was taken that the chemical interactions between UO 2 and these fission products can be regarded as causing overlapped effects of composing ternary uranium oxides, and formation reactions and phase behavior were studied for several ternary uranium oxides with typical fission product elements such as alkaline earth metals and rare earth elements. Precise determination methods for the composition of ternary uranium oxides were developed. The estimated accuracies for x and y values in M y U 1-y O 2+x were ± 0.006 and ± 0.004, respectively. The thermodynamic properties and the lattice parameters of the phases in the Ca-U-O and Pr-U-O systems were discussed in relation to the composition determined by the methods. Crystal structure analyses of cadmium monouranates were made with X-ray diffraction method. (author) 197 refs

Frontiers of 4d- and 5d-transition metal oxides

CERN Document Server

Cao, Gang

2013-01-01

This book is aimed at advanced undergraduates, graduate students and other researchers who possess an introductory background in materials physics and/or chemistry, and an interest in the physical and chemical properties of novel materials, especially transition metal oxides.New materials often exhibit novel phenomena of great fundamental and technological importance. Contributing authors review the structural, physical and chemical properties of notable 4d- and 5d-transition metal oxides discovered over the last 10 years. These materials exhibit extraordinary physical properties that differ s

Crystal chemistry, properties and synthesis of microporous silicates containing transition elements

International Nuclear Information System (INIS)

Chukanov, Nikita V; Pekov, Igor V; Rastsvetaeva, Ramiza K

2004-01-01

The review surveys and generalises recent data on synthesis methods, physicochemical properties and crystal chemistry of silicate microporous materials containing transition elements (amphoterosilicates). The frameworks of these materials, unlike those of usual aluminosilicate zeolites, are built from tetrahedrally coordinated atoms along with atoms of various elements (Ti, Nb, Zr, Ta, Sn, W, Fe, Mn, Zn, etc.) with coordination numbers of 6 or 5. Many amphoterosilicates possess ion-exchange properties and can serve as catalysts for redox reactions, sorbents, etc. The structural diversity of synthetic and natural amphoterosilicates provides the basis for the preparation of microporous materials with different properties.

The latest general chemistry

International Nuclear Information System (INIS)

Ryu, Geun Bae; Choi, Se Yeong; Kim, Chin Yeong; Yoon, Gil Jung; Lee, Eun Seok; Seo, Moon Gyu

1995-02-01

This book deals with the latest general chemistry, which is comprised of twenty-three chapters, the contents of this book are introduction, theory of atoms and molecule, chemical formula and a chemical reaction formula, structure of atoms, nature of atoms and the periodic table, structure of molecule and spectrum, gas, solution, solid, chemical combination, chemical reaction speed, chemical equilibrium, thermal chemistry, oxidation-reduction, electrochemistry, acid-base, complex, aquatic chemistry, air chemistry, nuclear chemistry, metal and nonmetal, organic chemistry and biochemistry. It has exercise in the end of each chapter.

Photoelectrochemical Hydrogen Production Using New Combinatorial Chemistry Derived Materials

Energy Technology Data Exchange (ETDEWEB)

Jaramillo, Thomas F.; Baeck, Sung-Hyeon; Kleiman-Shwarsctein, Alan; Stucky, Galen D. (PI); McFarland, Eric W. (PI)

2004-10-25

Solar photoelectrochemical water-splitting has long been viewed as one of the “holy grails” of chemistry because of its potential impact as a clean, renewable method of fuel production. Several known photocatalytic semiconductors can be used; however, the fundamental mechanisms of the process remain poorly understood and no known material has the required properties for cost effective hydrogen production. In order to investigate morphological and compositional variations in metal oxides as they relate to opto-electrochemical properties, we have employed a combinatorial methodology using automated, high-throughput, electrochemical synthesis and screening together with conventional solid-state methods. This report discusses a number of novel, high-throughput instruments developed during this project for the expeditious discovery of improved materials for photoelectrochemical hydrogen production. Also described within this report are results from a variety of materials (primarily tungsten oxide, zinc oxide, molybdenum oxide, copper oxide and titanium dioxide) whose properties were modified and improved by either layering, inter-mixing, or doping with one or more transition metals. Furthermore, the morphologies of certain materials were also modified through the use of structure directing agents (SDA) during synthesis to create mesostructures (features 2-50 nm) that increased surface area and improved rates of hydrogen production.

Electron transport properties of indium oxide - indium nitride metal-oxide-semiconductor heterostructures

International Nuclear Information System (INIS)

Wang, C.Y.; Hauguth, S.; Polyakov, V.; Schwierz, F.; Cimalla, V.; Kups, T.; Himmerlich, M.; Schaefer, J.A.; Krischok, S.; Ambacher, O.; Morales, F.M.; Lozano, J.G.; Gonzalez, D.; Lebedev, V.

2008-01-01

The structural, chemical and electron transport properties of In 2 O 3 /InN heterostructures and oxidized InN epilayers are reported. It is shown that the accumulation of electrons at the InN surface can be manipulated by the formation of a thin surface oxide layer. The epitaxial In 2 O 3 /InN heterojunctions show an increase in the electron concentration due to the increasing band banding at the heterointerface. The oxidation of InN results in improved transport properties and in a reduction of the sheet carrier concentration of the InN epilayer very likely caused by a passivation of surface donors. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Properties of neutron-rich nuclei studied by fission product nuclear chemistry

International Nuclear Information System (INIS)

Meyer, R.A.; Henry, E.A.; Griffin, H.C.; Lien, O.G. III; Lane, S.M.; Stevenson, P.C.; Yaffe, R.P.; Skarnemark, G.

1979-09-01

A review is given of the properties of neutron-rich nuclei studied by fission product nuclear chemistry and includes the techniques used in elemental isolation and current research on the structure of nuclei near 132 Sn, particle emission, and coexisting structure in both neutron-poor and neutron-rich nuclei. 35 references

Metformin: A Review of Characteristics, Properties, Analytical Methods and Impact in the Green Chemistry.

Science.gov (United States)

da Trindade, Mariana Teixeira; Kogawa, Ana Carolina; Salgado, Hérida Regina Nunes

2018-01-02

Diabetes mellitus (DM) is considered a public health problem. The initial treatment consists of improving the lifestyle and making changes in the diet. When these changes are not enough, the use of medication becomes necessary. The metformin aims to reduce the hepatic production of glucose and is the preferred treatment for type 2. The objective is to survey the characteristics and properties of metformin, as well as hold a discussion on the existing analytical methods to green chemistry and their impacts for both the operator and the environment. For the survey, data searches were conducted by scientific papers in the literature as well as in official compendium. The characteristics and properties are shown, also, methods using liquid chromatography techniques, titration, absorption spectrophotometry in the ultraviolet and the infrared region. Most of the methods presented are not green chemistry oriented. It is necessary the awareness of everyone involved in the optimization of the methods applied through the implementation of green chemistry to determine the metformin.

Genotoxicity of copper oxide nanoparticles with different surface chemistry on rat bone marrow mesenchymal stem cells

DEFF Research Database (Denmark)

Zhang, Wenjing; Jiang, Pengfei; Chen, Wei

2016-01-01

The surface chemistry of nanoparticles (NPs) is one of the critical factors determining their cellular responses. In this study, the cytotoxicity and genotoxicity of copper oxide (CuO) NPs with a similar size but different surface chemistry to rat bone marrow mesenchymal stem cells (MSCs) were......V and showed a similar tendency to form agglomerates with a size of ∼200 nm in cell culture environment. The cytotoxicity of CuO NPs to MSCs at various concentrations and incubation periods were firstly evaluated. The CuO NPs showed dose-dependent and time-dependent toxicity to MSCs, and their surface...

Tilts, dopants, vacancies and non-stoichiometry: Understanding and designing the properties of complex solid oxide perovskites from first principles

Science.gov (United States)

Bennett, Joseph W.

Perovskite oxides of formula ABO3 have a wide range of structural, electrical and mechanical properties, making them vital materials for many applications, such as catalysis, ultrasound machines and communication devices. Perovskite solid solutions with high piezoelectric response, such as ferroelectrics, are of particular interest as they can be employed as sensors in SONAR devices. Ferroelectric materials are unique in that their chemical and electrical properties can be non-invasively and reversibly changed, by switching the bulk polarization. This makes ferroelectrics useful for applications in non-volatile random access memory (NVRAM) devices. Perovskite solid solutions with a lower piezoelectric response than ferroelectrics are important for communication technology, as they function well as electroceramic capacitors. Also of interest is how these materials act as a component in a solid oxide fuel cell, as they can function as an efficient source of energy. Altering the chemical composition of these solid oxide materials offers an opportunity to change the desired properties of the final ceramic, adding a degree of flexibility that is advantageous for a variety of applications. These solid oxides are complex, sometimes disordered systems that are a challenge to study experimentally. However, as it is their complexity which produces favorable properties, highly accurate modeling which captures the essential features of the disordered structure is necessary to explain the behavior of current materials and predict favorable compositions for new materials. Methodological improvements and faster computer speeds have made first-principles and atomistic calculations a viable tool for understanding these complex systems. Offering a combination of accuracy and computational speed, the density functional theory (DFT) approach can reveal details about the microscopic structure and interactions of complex systems. Using DFT and a combination of principles from both

Fluorescence properties of dansyl groups covalently bonded to the surface of oxidatively functionalized low-density polyethylene film

Science.gov (United States)

Holmes-Farley, S. R.; Whitesides, G. M.

1985-12-01

Brief oxidation of low-density polyethylene film with chromic acid in aqueous sulfuric acid introduced carboxylic acid and ketone and/or aldehyde groups onto the surface of the film. The carboxylic acid moieties can be used to attach more complex functionality to the polymer surface. We are developing this surface-functionalized polyethylene (named polyethylene carboxylic acid, PE-CO2H, to emphasize the functional group that dominates its surface properties) as a substrate with which to study problems in organic surface chemistry--especially wetting, polymer surface reconstruction, and adhesion--using physical-organic techniques. This document describes the preparation, characterization, and fluorescence properties of derivatives of PE-CO2H in which the Dansyl (5-dimethylaminonaphthalene-1-sulfonyl) group has been covalently attached by amide links to the surface carbonyl moieties.

Relationships among oxidation-reduction and acid-base properties of the actinides in high oxidation states

International Nuclear Information System (INIS)

Morss, L.R.

1992-01-01

The first chemical identification of plutonium, its subsequent isolation on the macroscopic scale, and more recent chemical separation schemes were achieved by taking advantage of the differences among the oxidation states of uranium, neptunium, and plutonium. Many acid-base properties modify the relative stabilities of oxidation states of the actinides. In the solid state, strongly basic compounds such as Cs 2 O yield complex oxides with oxidation states of Np(VII), Pu(VI), and Am(VI) whereas more acidic compounds such as CsF yield complex fluorides with lower oxidation states. In aqueous solution, high basicity and strongly covalent complexes favor high oxidation states. In nonaqueous solvent systems, high acidity generally favors low oxidation states. This paper elucidates and attempts to interpret the effects of these acid-base properties in a systematic fashion

Ion sorption onto hydrous ferric oxides: Effect on major element fluid chemistry at Aespoe, Sweden

International Nuclear Information System (INIS)

Bruton, C.J.; Viani, B.E.

1996-06-01

The observed variability of fluid chemistry at the Aespoe Hard Rock Laboratory is not fully described by conservative fluid mixing models. Ion exchange may account for some of the observed discrepancies. It is also possible that variably charged solids such as oxyhydroxides of Fe can serve as sources and sinks of anions and cations through surface complexation. Surface complexation reactions on hydrous ferric oxides involve sorption of both cations and anions. Geochemical modeling of the surface chemistry of hydrous ferric oxides (HFOs) in equilibrium with shallow HBH02 and deep KA0483A waters shows that HFOs can serve as significant, pH-sensitive sources and sinks for cations and anions. Carbonate sorption is favored especially at below-neutral pH. A greater mass of carbonate is sorbed onto HFO surfaces than is contained in the fluid when 10 g goethite, used as a proxy for HFOs, is in contact with 1 kg H 2 O. The masses of sorbent required to significantly impact fluid chemistry through sorption/desorption reactions seem to be reasonable when compared to the occurrences of HFOs at Aespoe. Thus, it is possible that small changes in fluid chemistry can cause significant releases of cations or anions from HFOs into the fluid phase or, alternately, result in uptake of aqueous species onto HFO surfaces. Simulations of the mixing of shallow HBH02 and native KA0483A waters in the presence of a fixed mass of goethite show that surface complexation does not cause the concentrations of Ca, Sr, and SO 4 to deviate from those that are predicted using conservative mixing models. Results for HCO 3 are more difficult to interpret and cannot be addressed adequately at this time

Atmospheric Chemistry and Air Pollution

Directory of Open Access Journals (Sweden)

Jeffrey S. Gaffney

2003-01-01

Full Text Available Atmospheric chemistry is an important discipline for understanding air pollution and its impacts. This mini-review gives a brief history of air pollution and presents an overview of some of the basic photochemistry involved in the production of ozone and other oxidants in the atmosphere. Urban air quality issues are reviewed with a specific focus on ozone and other oxidants, primary and secondary aerosols, alternative fuels, and the potential for chlorine releases to amplify oxidant chemistry in industrial areas. Regional air pollution issues such as acid rain, long-range transport of aerosols and visibility loss, and the connections of aerosols to ozone and peroxyacetyl nitrate chemistry are examined. Finally, the potential impacts of air pollutants on the global-scale radiative balances of gases and aerosols are discussed briefly.

Surface analytical and electrochemical characterization of oxide films formed on Incoloy-800 and carbon steel in simulated secondary water chemistry conditions of PHWRs

International Nuclear Information System (INIS)

Rangarajan, S.; Sinu, C.; Balaji, V.; Narasimhan, S.V.

2010-01-01

The water chemistry in the Steam Generator (SG) Circuits of Indian Pressurized Heavy Water Reactors (PHWRs) is controlled by the all volatile treatment (AVT) procedure, wherein volatile amines are used to maintain the alkaline pH required for minimizing the corrosion of the structural materials. Earlier, Monel and morpholine were used as the Steam Generator material and the alkalizing agent respectively. However, currently they are replaced by Incoloy-800 and Ethanolamine (ETA). ETA was chosen because of its beneficial effects due to low pK b and K d values, loading behaviour on condensate polishing unit (CPU) and also on cost comparison with other amines. Since we have Incoloy-800 on the tube side and Carbon steel(CS) on the shell side in the SG circuits, efforts were taken to study the nature of the oxide films formed on these surfaces and to evaluate the corrosion resistance and electrochemical properties of the same, under simulated secondary water chemistry conditions of PHWRs containing different dissolved oxygen (DO) concentration. In this context, experiments were carried out by exposing finely polished CS and Incoloy -800 coupons to ETA based medium in the presence and absence of Hydrazine (pH: 9.2) at 240 o C under two different DO conditions (< 10 ppb and 200 ppb) for 24 hours. Oxide films formed under these conditions were characterized using SEM, Raman spectroscopy, electrochemical impedance, polarization and Mott-Schottky techniques. Further, studies at a controlled DO level ( < 10 ppb) were carried out for different time durations viz., 7- and 30- days. The composition, surface morphology, oxide thickness, resistance, type of semi-conductivity and defect density of the oxide films were evaluated and correlated with the DO levels and discussed elaborately in this paper. (author)

Comparison of properties of silver-metal oxide electrical contact materials

Directory of Open Access Journals (Sweden)

Ćosović V.

2012-01-01

Full Text Available Changes in physical properties such as density, porosity, hardness and electrical conductivity of the Ag-SnO2 and Ag-SnO2In2O3 electrical contact materials induced by introduction of metal oxide nanoparticles were investigated. Properties of the obtained silver-metal oxide nanoparticle composites are discussed and presented in comparison to their counterparts with the micro metal oxide particles as well as comparable Ag-SnO2WO3 and Ag-ZnO contact materials. Studied silvermetal oxide composites were produced by powder metallurgy method from very fine pure silver and micro- and nanoparticle metal oxide powders. Very uniform microstructures were obtained for all investigated composites and they exhibited physical properties that are comparable with relevant properties of equivalent commercial silver based electrical contact materials. Both Ag-SnO2 and Ag- SnO2In2O3 composites with metal oxide nanoparticles were found to have lower porosity, higher density and hardness than their respective counterparts which can be attributed to better dispersion hardening i.e. higher degree of dispersion of metal oxide in silver matrix.

Effects of interfacial Fe electronic structures on magnetic and electronic transport properties in oxide/NiFe/oxide heterostructures

International Nuclear Information System (INIS)

Liu, Qianqian; Chen, Xi; Zhang, Jing-Yan; Yang, Meiyin; Li, Xu-Jing; Jiang, Shao-Long; Liu, Yi-Wei; Cao, Yi; Wu, Zheng-Long; Feng, Chun; Ding, Lei; Yu, Guang-Hua

2015-01-01

Highlights: • The magnetic and transport properties of oxide/NiFe/oxide films were studied. • The oxide (SiO 2 , MgO and HfO 2 ) has different elemental electronegativity. • Redox reaction at different NiFe/oxide interface is dependent on the oxide layer. • Different interfacial electronic structures shown by XPS influence the properties. - Abstract: We report that the magnetic and electronic transport properties in oxide/NiFe(2 nm)/oxide film (oxide = SiO 2 , MgO or HfO 2 ) are strongly influenced by the electronic structure of NiFe/oxide interface. Magnetic measurements show that there exist magnetic dead layers in the SiO 2 sandwiched film and MgO sandwiched film, whereas there is no magnetic dead layer in the HfO 2 sandwiched film. Furthermore, in the ultrathin SiO 2 sandwiched film no magnetoresistance (MR) is detected, while in the ultrathin MgO sandwiched film and HfO 2 sandwiched film the MR ratios reach 0.35% and 0.88%, respectively. The investigation by X-ray photoelectron spectroscopy reveals that the distinct interfacial redox reactions, which are dependent on the oxide layers, lead to the variation of magnetic and transport properties in different oxide/NiFe/oxide heterostructures

Electronic properties of thermally formed thin iron oxide films

International Nuclear Information System (INIS)

Wielant, J.; Goossens, V.; Hausbrand, R.; Terryn, H.

2007-01-01

The oxide layer, present between an organic coating and the substrate, guarantees adhesion of the coating and plays a determinating role in the delamination rate of the organic coating. The purpose of this study is to compare the resistive and semiconducting properties of thermal oxides formed on steel in two different atmospheres at 250 deg. C: an oxygen rich atmosphere, air, and an oxygen deficient atmosphere, N 2 . In N 2 , a magnetite layer grows while in air a duplex oxide film forms composed by an inner magnetite layer and a thin outer hematite scale. The heat treatment for different amounts of time at high temperature was used as method to sample the thickness variation and change in electronic and semiconducting properties of the thermal oxide layers. Firstly, linear voltammetric measurements were performed to have a first insight in the electrochemical behavior of the thermal oxides in a borate buffer solution. Electrochemical impedance spectroscopy in the same buffer combined with the Mott-Schottky analysis were used to determine the semiconducting properties of the thermal oxides. By spectroscopic ellipsometry (SE) and atomic force microscopy (AFM), respectively, the thickness and roughness of the oxide layers were determined supporting the physical interpretation of the voltammetric and EIS data. These measurements clearly showed that oxide layers with different constitution, oxide resistance, flatband potential and doping concentration can be grown by changing the atmosphere

Characterization and bulk properties of oxides

International Nuclear Information System (INIS)

Sonder, E.; Connolly, T.F.

1979-06-01

The bulk properties of oxides are divided into two classes, intrinsic properties which depend solely on the identity of the material, and extrinsic ones, which differ for different samples of the same compound. Sources of tabulated numerical values of intrinsic properties are given and modern developments in information storage and retrieval are discussed. Extrinsic properties are shown to depend on defects and trace impurities in the samples. Techniques of trace impurity analysis are discussed and realistic limits of detection and accuracies are given for routine analyses

Molecular theory of graphene oxide.

Science.gov (United States)

Sheka, Elena F; Popova, Nadezhda A

2013-08-28

Applied to graphene oxide, the molecular theory of graphene considers its oxide as a final product in the succession of polyderivatives related to a series of oxidation reactions involving different oxidants. The graphene oxide structure is created in the course of a stepwise computational synthesis of polyoxides of the (5,5) nanographene molecule governed by an algorithm that takes into account the molecule's natural radicalization due to the correlation of its odd electrons, the extremely strong influence of the structure on properties, and a sharp response of the molecule behavior on small actions of external factors. Taking these together, the theory has allowed for a clear, transparent and understandable explanation of the hot points of graphene oxide chemistry and suggesting reliable models of both chemically produced and chemically reduced graphene oxides.

Cholesterol oxidation products and their biological importance

Czech Academy of Sciences Publication Activity Database

Kulig, W.; Cwiklik, Lukasz; Jurkiewicz, P.; Rog, T.; Vattulainen, I.

2016-01-01

Roč. 199, Sep (2016), s. 144-160 ISSN 0009-3084 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : cholesterol * oxidation * oxysterols * biological membranes * biophysical properties Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.361, year: 2016

Chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1992-01-01

In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. In this paper the work carried out at Berkeley from the spring of 1942 to the summer of 1945 is described briefly. The aqueous chemistry of plutonium is quite remarkable. Important insights were obtained from tracer experiments, but the full complexity was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were based on aqueous solutions, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, an equilibrium was rapidly established among the four aqueous oxidation states, while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element are reported

Synthesis and luminescent properties of PEO/lanthanide oxide nanoparticle hybrid films

International Nuclear Information System (INIS)

Goubard, F.; Vidal, F.; Bazzi, R.; Tillement, O.; Chevrot, C.; Teyssie, D.

2007-01-01

In this study, we investigate the optical properties of lanthanide oxide nanoparticles dispersed in poly(ethylene oxide) (PEO) network as thermally stable polymeric films. The aim of this work is both to keep a good optical transparency in the visible domain and to obtain luminescent materials after incorporation of nanoparticles. For this purpose, we develop luminescent nanocrystals of oxides containing terbium ion as a doping element in Gd 2 O 3 . These sub-5-nm lanthanide oxides nanoparticles have been prepared by direct oxide precipitation in high-boiling polyalcohol solutions and characterized by luminescence spectroscopy. PEO/lanthanide oxide nanohybrid films are prepared by radical polymerization of poly(ethylene glycol) methacrylate after introduction of lanthanide oxide particles. As a first result; the obtained films present interesting luminescence properties with a very low lanthanide oxide content (up to 0.29 wt%). Furthermore, these films are still transparent and keep their original mechanical properties. Prior to describe the specific applications to optical use, we report here the dynamic mechanical analysis (DMA), X-ray diffraction (XRD) analysis, transmission electron microscopy (TEM), and luminescent properties of. nanohybrid films

Effect of the chemistry and structure of the native oxide surface film on the corrosion properties of commercial AZ31 and AZ61 alloys

Energy Technology Data Exchange (ETDEWEB)

Feliu, Sebastian, E-mail: sfeliu@cenim.csic.es [Centro Nacional de Investigaciones Metalurgicas CSIC, Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Maffiotte, C. [CIEMAT-DT edificio 30, Avda. Complutense, 22, 28040 Madrid (Spain); Samaniego, A.; Galvan, Juan Carlos [Centro Nacional de Investigaciones Metalurgicas CSIC, Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Barranco, Violeta [Centro Nacional de Investigaciones Metalurgicas CSIC, Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Instituto de Ciencias de Materiales de Madrid, ICMM, Consejo Superior de Investigaciones Cientificas, CSIC, Sor Juana Ines de la Cruz, 3, Cantoblanco, 28049, Madrid (Spain)

2011-08-01

The purpose of this study has been to advance in knowledge of the chemical composition, structure and thickness of the thin native oxide film formed spontaneously in contact with the laboratory atmosphere on the surface of freshly polished commercial AZ31 and AZ61 alloys with a view to furthering the understanding of protection mechanisms. For comparative purposes, and to more fully describe the behaviour of the native oxide film, the external oxide films formed as a result of the manufacturing process (as-received condition) have been characterised. The technique applied in this research to study the thin oxide films (thickness of just a few nanometres) present on the surface of the alloys has basically been XPS (X-ray photoelectron spectroscopy) in combination with ion sputtering. Corrosion properties of the alloys were studied in 0.6 M NaCl by measuring charge transfer resistance values, which are deduced from EIS (electrochemical impedance spectroscopy) measurements after 1 h of exposure. Alloy AZ61 generally showed better corrosion resistance than AZ31, and the freshly polished alloys showed better corrosion resistance than the alloys in as-received condition. This is attributed to a combination of (1) higher thickness of the native oxide film on the AZ61 alloy and (2) greater uniformity of the oxide film in the polished condition. The formation of an additional oxide layer composed by a mixture of spinel (MgAl{sub 2}O{sub 4}) and MgO seems to diminish the protective properties of the passive layer on the surface of the alloys in as-received condition.

Effect of the chemistry and structure of the native oxide surface film on the corrosion properties of commercial AZ31 and AZ61 alloys

International Nuclear Information System (INIS)

Feliu, Sebastian; Maffiotte, C.; Samaniego, A.; Galvan, Juan Carlos; Barranco, Violeta

2011-01-01

The purpose of this study has been to advance in knowledge of the chemical composition, structure and thickness of the thin native oxide film formed spontaneously in contact with the laboratory atmosphere on the surface of freshly polished commercial AZ31 and AZ61 alloys with a view to furthering the understanding of protection mechanisms. For comparative purposes, and to more fully describe the behaviour of the native oxide film, the external oxide films formed as a result of the manufacturing process (as-received condition) have been characterised. The technique applied in this research to study the thin oxide films (thickness of just a few nanometres) present on the surface of the alloys has basically been XPS (X-ray photoelectron spectroscopy) in combination with ion sputtering. Corrosion properties of the alloys were studied in 0.6 M NaCl by measuring charge transfer resistance values, which are deduced from EIS (electrochemical impedance spectroscopy) measurements after 1 h of exposure. Alloy AZ61 generally showed better corrosion resistance than AZ31, and the freshly polished alloys showed better corrosion resistance than the alloys in as-received condition. This is attributed to a combination of (1) higher thickness of the native oxide film on the AZ61 alloy and (2) greater uniformity of the oxide film in the polished condition. The formation of an additional oxide layer composed by a mixture of spinel (MgAl 2 O 4 ) and MgO seems to diminish the protective properties of the passive layer on the surface of the alloys in as-received condition.

Computer simulation of the structure and properties of non-crystalline oxides

International Nuclear Information System (INIS)

Belashchenko, D.K.

1997-01-01

The structure data and some properties of non-crystalline (liquid and amorphous) oxide systems are discussed that were obtained using computer simulation methods. The simple oxide models, the homological serii of simple oxides, the models of binary and multi-components oxide systems are considered. Also the results of the simulation of ionic transfer in electric field are discussed. Ionic theory of oxides allows to predict the structure, thermodynamic and other properties for many oxide systems except the phosphate and vanadate oxides and some others

Redox reactivity and coordination chemistry of uranium

International Nuclear Information System (INIS)

Nocton, G.

2009-09-01

The study and the understanding of actinides chemistry have important implications in the nuclear field both for the development of new actinides materials and the retreatment of the nuclear wastes. One of the major issues in that chemistry is that the actinides elements are known to undergo redox reaction and to form assemblies of different size and different topologies. In that context uranium can be a good model of the heavier radioelement because it is much less radioactive. So, this work concerns the synthesis and the study of the spectroscopy and the magnetic properties of several uranium based polymetallic assemblies synthesized by taking advantage of the redox properties and the coordination chemistry of uranium. The hydrolysis reactivity of trivalent uranium has been studied in absence of sterically hindered ligands and led to the synthesis of oxo/hydroxo uranium assemblies with different sizes by changing the starting complex or the reaction conditions. By following the same strategy, the controlled oxidation of trivalent uranium complexes led to an original azido/nitrido uranium complex. The coordination chemistry of the pentavalent uranyl polymer {[UO 2 py 5 ][KI 2 py 3 ]} n has also been studied with different ligand and in different conditions and led to several cation-cation complexes for which the stability is sufficient for studying there dismutation by proton NMR. By changing the ancillary ligands stable monomeric complexes of pentavalent uranyl complexes were also obtained. The magnetic properties of all the complexes, monomers and polymetallic complexes were studied and an antiferromagnetic coupling was observed for the cation-cation pentavalent uranyl dimer [UO 2 (dbm) 2 (K 18 C 6 )] 2 . (author)

The chemistry of plutonium revealed

International Nuclear Information System (INIS)

Connick, R.E.

1990-01-01

In 1941 one goal of the Manhattan Project was to unravel the chemistry of the synthetic element plutonium as rapidly as possible. Important insights were obtained from tracer experiments, but the full complexity of plutonium chemistry was not revealed until macroscopic amounts (milligrams) became available. Because processes for separation from fission products were aqueous solution based, such solution chemistry was emphasized, particularly precipitation and oxidation-reduction behavior. The latter turned out to be unusually intricate when it was discovered that two more oxidation states existed in aqueous solution than had previously been suspected. Further, it was found that an equilibrium was rapidly established among the four aqueous oxidation states while at the same time any three were not in equilibrium. These and other observations made while doing a crash study of a previously unknown element will be reported

Electronic properties of hafnium oxide: A contribution from defects and traps

Energy Technology Data Exchange (ETDEWEB)

Gritsenko, Vladimir A., E-mail: grits@isp.nsc.ru; Perevalov, Timofey V.; Islamov, Damir R., E-mail: damir@isp.nsc.ru

2016-02-15

In the present article, we give a review of modern data and latest achievements pertaining to the study of electronic properties of oxygen vacancies in hafnium oxide. Hafnium oxide is a key dielectric for use in many advanced silicon devices. Oxygen vacancies in hafnium oxide largely determine the electronic properties of the material. We show that the electronic transitions between the states due to oxygen vacancies largely determine the optical absorption and luminescent properties of hafnium oxide. We discuss the role of oxygen vacancies as traps that facilitate charge transport in hafnium oxide films. Also, we demonstrate the fact that the electrical conductivity in hafnium oxide is controlled by the phonon-assisted tunnelling of charge carriers between traps that were identified as oxygen vacancies.

Surface chemistry manipulation of gold nanorods preserves optical properties for bio-imaging applications

Energy Technology Data Exchange (ETDEWEB)

Polito, Anthony B.; Maurer-Gardner, Elizabeth I.; Hussain, Saber M., E-mail: saber.hussain@us.af.mil [Air Force Research Laboratory, Molecular Bioeffects Branch, Bioeffects Division, Human Effectiveness Directorate (United States)

2015-12-15

Due to their anisotropic shape, gold nanorods (GNRs) possess a number of advantages for biosystem use including, enhanced surface area and tunable optical properties within the near-infrared (NIR) region. However, cetyl trimethylammonium bromide-related cytotoxicity, overall poor cellular uptake following surface chemistry modifications, and loss of NIR optical properties due to material intracellular aggregation in combination remain as obstacles for nanobased biomedical GNR applications. In this article, we report that tannic acid-coated 11-mercaptoundecyl trimethylammonium bromide (MTAB) GNRs (MTAB-TA) show no significant decrease in either in vitro cell viability or stress activation after exposures to A549 human alveolar epithelial cells. In addition, MTAB-TA GNRs demonstrate a substantial level of cellular uptake while displaying a unique intracellular clustering pattern. This clustering pattern significantly reduces intracellular aggregation, preserving the GNRs NIR optical properties, vital for biomedical imaging applications. These results demonstrate how surface chemistry modifications enhance biocompatibility, allow for higher rate of internalization with low intracellular aggregation of MTAB-TA GNRs, and identify them as prime candidates for use in nanobased bio-imaging applications.Graphical Abstract.

Plutonium chemistry: a synthesis of experimental data and a quantitative model for plutonium oxide solubility

International Nuclear Information System (INIS)

Haschke, J.M.; Oversby, V.M.

2002-01-01

The chemistry of plutonium is important for assessing potential behavior of radioactive waste under conditions of geologic disposal. This paper reviews experimental data on dissolution of plutonium oxide solids, describes a hybrid kinetic-equilibrium model for predicting steady-state Pu concentrations, and compares laboratory results with predicted Pu concentrations and oxidation-state distributions. The model is based on oxidation of PuO 2 by water to produce PuO 2+x , an oxide that can release Pu(V) to solution. Kinetic relationships between formation of PuO 2+x , dissolution of Pu(V), disproportionation of Pu(V) to Pu(IV) and Pu(VI), and reduction of Pu(VI) are given and used in model calculations. Data from tests of pyrochemical salt wastes in brines are discussed and interpreted using the conceptual model. Essential data for quantitative modeling at conditions relevant to nuclear waste repositories are identified and laboratory experiments to determine rate constants for use in the model are discussed

Synthesis and luminescent properties of PEO/lanthanide oxide nanoparticle hybrid films

Energy Technology Data Exchange (ETDEWEB)

Goubard, F. [LPPI, Universite de Cergy-Pontoise, 5 Mail Gay-Lussac, Neuville-sur-Oise, 95031 Cergy-Pontoise cedex (France)]. E-mail: fabrice.goubard@u-cergy.fr; Vidal, F. [LPPI, Universite de Cergy-Pontoise, 5 Mail Gay-Lussac, Neuville-sur-Oise, 95031 Cergy-Pontoise cedex (France); Bazzi, R. [LPCML, Universite Lyon 1, 43 Bd. du 11 Novembre 1918, 69622 Villeurbanne (France); Tillement, O. [LPCML, Universite Lyon 1, 43 Bd. du 11 Novembre 1918, 69622 Villeurbanne (France); Nano-H, 23 rue Royal, 69001 Lyon (France); Chevrot, C. [LPPI, Universite de Cergy-Pontoise, 5 Mail Gay-Lussac, Neuville-sur-Oise, 95031 Cergy-Pontoise cedex (France); Teyssie, D. [LPPI, Universite de Cergy-Pontoise, 5 Mail Gay-Lussac, Neuville-sur-Oise, 95031 Cergy-Pontoise cedex (France)

2007-10-15

In this study, we investigate the optical properties of lanthanide oxide nanoparticles dispersed in poly(ethylene oxide) (PEO) network as thermally stable polymeric films. The aim of this work is both to keep a good optical transparency in the visible domain and to obtain luminescent materials after incorporation of nanoparticles. For this purpose, we develop luminescent nanocrystals of oxides containing terbium ion as a doping element in Gd{sub 2}O{sub 3}. These sub-5-nm lanthanide oxides nanoparticles have been prepared by direct oxide precipitation in high-boiling polyalcohol solutions and characterized by luminescence spectroscopy. PEO/lanthanide oxide nanohybrid films are prepared by radical polymerization of poly(ethylene glycol) methacrylate after introduction of lanthanide oxide particles. As a first result; the obtained films present interesting luminescence properties with a very low lanthanide oxide content (up to 0.29 wt%). Furthermore, these films are still transparent and keep their original mechanical properties. Prior to describe the specific applications to optical use, we report here the dynamic mechanical analysis (DMA), X-ray diffraction (XRD) analysis, transmission electron microscopy (TEM), and luminescent properties of. nanohybrid films.

X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites.

Science.gov (United States)

Gandhiraman, Ram P; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E; Chen, Bin; Meyyappan, M

2014-08-14

The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties as the graphene oxide transformation to reduced-graphene oxide is a key step in the synthesis of the electrode materials. Polarized behavior of the synchrotron X-rays and the angular dependency of the near-edge X-ray absorption fine structures (NEXAFS) have been utilized to study the orientation of the σ and π bonds of the graphene oxide and graphene oxide-metal oxide nanocomposites. The core-level transitions of individual metal oxides and that of the graphene oxide nanocomposite showed that the interaction of graphene oxide with the metal oxide nanostructures has not altered the electronic structure of either of them. As the restoration of the π network is important for good electrical conductivity, the C K edge NEXAFS spectra of reduced graphene oxide nanocomposites confirms the same through increased intensity of the sp 2 -derived unoccupied states π* band. A pronounced angular dependency of the reduced sample and the formation of excitonic peaks confirmed the formation of extended conjugated network.

Low Temperature Synthesis and Properties of Gadolinium-Doped Cerium Oxide Nanoparticles

DEFF Research Database (Denmark)

Machado, Marina F. S.; P. R. Moraes, Leticia; Monteiro, Natalia K.

2017-01-01

Gadolinium-doped cerium oxide (GDC) is an attractive ceramic material for solid oxide fuel cells (SOFCs) both as the electrolyte or in composite electrodes. The Ni/GDC cermet can be tuned as a catalytic layer, added to the conventional Ni/yttria-stabilized zirconia (YSZ), for the internal steam...... sintering temperature needed to obtain a fully dense ceramic body, which can result in undesired reactions with YSZ. In this study, a green chemistry route for the synthesis of 10 mol% GDC nanoparticles is proposed. Such a low temperature synthesis provides control over particle size and sinterability...

Analytical chemistry

Energy Technology Data Exchange (ETDEWEB)

Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

1989-02-15

This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

Analytical chemistry

International Nuclear Information System (INIS)

Chae, Myeong Hu; Lee, Hu Jun; Kim, Ha Seok

1989-02-01

This book give explanations on analytical chemistry with ten chapters, which deal with development of analytical chemistry, the theory of error with definition and classification, sample and treatment gravimetry on general process of gravimetry in aqueous solution and non-aqueous solution, precipitation titration about precipitation reaction and types, complexometry with summary and complex compound, oxidation-reduction equilibrium on electrode potential and potentiometric titration, solvent extraction and chromatograph and experiment with basic operation for chemical experiment.

Mechanical properties of phosphorene nanoribbons and oxides

International Nuclear Information System (INIS)

Hao, Feng; Chen, Xi

2015-01-01

Mechanical properties of phosphorene nanoribbons and oxides are investigated by using density functional theory. It is found that the ideal strength of nanoribbon decreases in comparison with that of 2D phosphorene. The Young's modulus of armchair nanoribbon has a remarkable size effect because of the edge relaxations. The analysis of the stress-strain relation indicates that, owing to chemisorbed oxygen atoms, the ideal strength and Young's modulus of 2D phosphorene oxide are greatly reduced along the zigzag direction, especially upon high oxidation ratios. In addition, strain and oxidation have significant impacts on phonon dispersion

Mechanical properties of phosphorene nanoribbons and oxides

Energy Technology Data Exchange (ETDEWEB)

Hao, Feng [Department of Earth and Environmental Engineering, Columbia University, New York, New York 10027 (United States); Chen, Xi, E-mail: xichen@columbia.edu [International Center for Applied Mechanics, SV Laboratory, School of Aerospace, Xi' an Jiaotong University, Xi' an 710049 (China); Department of Earth and Environmental Engineering, Columbia University, New York, New York 10027 (United States)

2015-12-21

Mechanical properties of phosphorene nanoribbons and oxides are investigated by using density functional theory. It is found that the ideal strength of nanoribbon decreases in comparison with that of 2D phosphorene. The Young's modulus of armchair nanoribbon has a remarkable size effect because of the edge relaxations. The analysis of the stress-strain relation indicates that, owing to chemisorbed oxygen atoms, the ideal strength and Young's modulus of 2D phosphorene oxide are greatly reduced along the zigzag direction, especially upon high oxidation ratios. In addition, strain and oxidation have significant impacts on phonon dispersion.

CHEMISTRY OF SO2 AND DESOX PROCESSES ON OXIDE NANOPARTICLES.

Energy Technology Data Exchange (ETDEWEB)

RODRIGUEZ, J.A.

2006-06-30

On bulk stoichiometric oxides, SO{sub 2} mainly reacts with the O centers to form SO{sub 3} or SO{sub 4} species that decompose at elevated temperatures. Adsorption on the metal cations occurs below 300 K and does not lead to cleavage of the S-O bonds. In bulk oxides, the occupied cation bands are too stable for effective bonding interactions with the LUMO of SO{sub 2}. The effects of quantum confinement on the electronic properties of oxide nanoparticles and the structural defects that usually accompany these systems in general favor the bonding and dissociation of SO{sub 2}. Thus, nanoparticles of MgO, CaO, SrO, Al{sub 2}O{sub 3}, Fe{sub 2}O{sub 3} and CeO{sub 2} are all more efficient for sequestering SO{sub 2} than the corresponding bulk oxides. Structural imperfections in pure or metal-doped ceria nanoparticles accelerate the reduction of SO{sub 2} by CO by facilitating the formation and migration of O vacancies in the oxide surface.

Ferroelectrics: A pathway to switchable surface chemistry and catalysis

Science.gov (United States)

Kakekhani, Arvin; Ismail-Beigi, Sohrab; Altman, Eric I.

2016-08-01

It has been known for more than six decades that ferroelectricity can affect a material's surface physics and chemistry thereby potentially enhancing its catalytic properties. Ferroelectrics are a class of materials with a switchable electrical polarization that can affect surface stoichiometry and electronic structure and thus adsorption energies and modes; e.g., molecular versus dissociative. Therefore, ferroelectrics may be utilized to achieve switchable surface chemistry whereby surface properties are not fixed but can be dynamically controlled by, for example, applying an external electric field or modulating the temperature. Several important examples of applications of ferroelectric and polar materials in photocatalysis and heterogeneous catalysis are discussed. In photocatalysis, the polarization direction can control band bending at water/ferroelectric and ferroelectric/semiconductor interfaces, thereby facilitating charge separation and transfer to the electrolyte and enhancing photocatalytic activity. For gas-surface interactions, available results suggest that using ferroelectrics to support catalytically active transition metals and oxides is another way to enhance catalytic activity. Finally, the possibility of incorporating ferroelectric switching into the catalytic cycle itself is described. In this scenario, a dynamic collaboration of two polarization states can be used to drive reactions that have been historically challenging to achieve on surfaces with fixed chemical properties (e.g., direct NOx decomposition and the selective partial oxidation of methane). These predictions show that dynamic modulation of the polarization can help overcome some of the fundamental limitations on catalytic activity imposed by the Sabatier principle.

Transuranic Computational Chemistry.

Science.gov (United States)

Kaltsoyannis, Nikolas

2018-02-26

Recent developments in the chemistry of the transuranic elements are surveyed, with particular emphasis on computational contributions. Examples are drawn from molecular coordination and organometallic chemistry, and from the study of extended solid systems. The role of the metal valence orbitals in covalent bonding is a particular focus, especially the consequences of the stabilization of the 5f orbitals as the actinide series is traversed. The fledgling chemistry of transuranic elements in the +II oxidation state is highlighted. Throughout, the symbiotic interplay of experimental and computational studies is emphasized; the extraordinary challenges of experimental transuranic chemistry afford computational chemistry a particularly valuable role at the frontier of the periodic table. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Charge transport in metal oxide nanocrystal-based materials

Science.gov (United States)

Runnerstrom, Evan Lars

matrix, and that the morphology and properties of the nanocomposites can be manipulated by changing the chemical composition of the deposition solution. Careful application of AC impedance spectroscopy techniques and DC measurements are used to show that the nanocomposites exhibit mixed ionic and electronic conductivity, where electronic charge is transported through the ITO nanocrystal phase, and ionic charge is transported through the polymer matrix phase. The synthetic methods developed here and understanding of charge transport ultimately lead to the fabrication of a solid state nanocomposite electrochromic device based on nanocrystals of ITO and cerium oxide. Part II of this dissertation considers electron transport within individual metal oxide nanocrystals themselves. It primarily examines relationships between synthetic chemistry, doping mechanisms in metal oxides, and the accompanying physics of free carrier scattering within the interior of highly doped metal oxide nanocrystals, with particular mind paid to ITO nanocrystals. Additionally, synthetic methods as well as metal oxide defect chemistry influences the balance between activation and compensation of dopants, which limits the nanocrystals' free carrier concentration. Furthermore, because of ionized impurity scattering of the oscillating electrons by dopant ions, scattering must be treated in a fundamentally different way in semiconductor metal oxide materials when compared with conventional metals. (Abstract shortened by ProQuest.).

Radiation chemistry and its application

International Nuclear Information System (INIS)

Majima, Tetsuro

2013-01-01

Effects of radiation to human body have been seriously discussed nowadays. These are important issues for the realization of sustainable society. It should be emphasized that various reactive intermediates generated by radiation play important roles in each cases. Radiation chemical studies will provide various reaction-mechanistic aspects on these important issues. Our research group has continuously carried out reaction-mechanistic studies using radiation chemical methods. From these studies, we have obtained a variety of results on basic molecular systems, reactions, materials that are close to practical application, biological systems and so on. Reactive species are generated from the radiation reactions in solution, and can be used as one-electron oxidative and reductive reagent to give selectively radical cation and anion of solute molecules such as various organic and inorganic molecules. Therefore, the radiation chemistry has contributed significantly to chemistry in which one-electron oxidation and reduction play the important role. The kinetics of such redox processes and the following reduction play the important role. The kinetics of such redox processes and the following reactions can be studied in real time with the transition absorption measurement by the pulse radiolysis technique. Even though the target compounds cannot be oxidized and reduced in chemical or electrochemical oxidation and reduction, their one-electron redox can be performed by the electron beam radiation. Therefore, radiation chemistry is very useful technique for basic science. Moreover, application potentials of radiation chemistry are so high for various research subjects. Moreover, application potentials of radiation chemistry are so high for various research subjects

Silica metal-oxide vesicles catalyze comprehensive prebiotic chemistry.

Science.gov (United States)

Bizzarri, Bruno Mattia; Botta, Lorenzo; Pérez-Valverde, Maritza Iveth; Saladino, Raffaele; Di Mauro, Ernesto; Garcia Ruiz, Juan Manuel

2018-03-30

It has recently been demonstrated that mineral self-assembled structures catalyzing prebiotic chemical reactions may form in natural waters derived from serpentinization, a geological process widespread in the early stages of Earth-like planets. We have synthesized self-assembled membranes by mixing microdrops of metal solutions with alkaline silicate solutions in the presence of formamide (NH2CHO), a single carbon molecule, at 80ºC. We found that these bilayer membranes, made of amorphous silica and metal oxide-hydroxide nanocrystals, catalyze the condensation of formamide, yielding the four nucleobases of RNA, three aminoacids and several carboxylic acids in a single pot experiment. Besides manganese, iron and magnesium, two abundant elements in the earliest Earth crust that are key in serpentinization reactions, are enough to produce all these biochemical compounds. These results suggest that the transition from inorganic geochemistry to prebiotic organic chemistry is common on a universal scale and, most probably, earlier than ever thought for our planet. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mentha suaveolens Ehrh. (Lamiaceae) Essential Oil and Its Main Constituent Piperitenone Oxide: Biological Activities and Chemistry.

Science.gov (United States)

Božović, Mijat; Pirolli, Adele; Ragno, Rino

2015-05-13

Since herbal medicines play an important role in the treatment of a wide range of diseases, there is a growing need for their quality control and standardization. Mentha suaveolens Ehrh. (MS) is an aromatic herb with fruit and a spearmint flavor, used in the Mediterranean areas as a traditional medicine. It has an extensive range of biological activities, including cytotoxic, antimicrobial, antioxidant, anti-inflammatory, hypotensive and insecticidal properties, among others. This study aims to review the scientific findings and research reported to date on MS that prove many of the remarkable various biological actions, effects and some uses of this species as a source of bioactive natural compounds. On the other hand, piperitenone oxide (PO), the major chemical constituent of the carvone pathway MS essential oil, has been reported to exhibit numerous bioactivities in cells and animals. Thus, this integrated overview also surveys and interprets the present knowledge of chemistry and analysis of this oxygenated monoterpene, as well as its beneficial bioactivities. Areas for future research are suggested.

Chemistry of Fluorinated Carbon Acids: Synthesis, Physicochemical Properties, and Catalysis.

Science.gov (United States)

Yanai, Hikaru

2015-01-01

The bis[(trifluoromethyl)sulfonyl]methyl (Tf2CH; Tf=SO2CF3) group is known to be one of the strongest carbon acid functionalities. The acidity of such carbon acids in the gas phase is stronger than that of sulfuric acid. Our recent investigations have demonstrated that this type of carbon acids work as novel acid catalysts. In this paper, recent achievements in carbon acid chemistry by our research group, including synthesis, physicochemical properties, and catalysis, are summarized.

Structural and magnetic properties of core-shell iron-iron oxide nanoparticles

DEFF Research Database (Denmark)

Kuhn, Luise Theil; Bojesen, A.; Timmermann, L.

2002-01-01

We present studies of the structural and magnetic properties of core-shell iron-iron oxide nanoparticles. alpha-Fe nanoparticles were fabricated by sputtering and subsequently covered with a protective nanocrystalline oxide shell consisting of either maghaemite (gamma-Fe2O3) or partially oxidized...... magnetite (Fe3O4). We observed that the nanoparticles were stable against further oxidation, and Mossbauer spectroscopy at high applied magnetic fields and low temperatures revealed a stable form of partly oxidized magnetite. The nanocrystalline structure of the oxide shell results in strong canting...... of the spin structure in the oxide shell, which thereby modifies the magnetic properties of the core-shell nanoparticles....

Self-assembly of a superparamagnetic raspberry-like silica/iron oxide nanocomposite using epoxy-amine coupling chemistry.

Science.gov (United States)

Cano, Manuel; de la Cueva-Méndez, Guillermo

2015-02-28

The fabrication of colloidal nanocomposites would benefit from controlled hetero-assembly of ready-made particles through covalent bonding. Here we used epoxy-amine coupling chemistry to promote the self-assembly of superparamagnetic raspberry-like nanocomposites. This adaptable method induced the covalent attachment of iron oxide nanoparticles sparsely coated with amine groups onto epoxylated silica cores in the absence of other reactants.

Metal oxide nanostructures and their gas sensing properties: a review.

Science.gov (United States)

Sun, Yu-Feng; Liu, Shao-Bo; Meng, Fan-Li; Liu, Jin-Yun; Jin, Zhen; Kong, Ling-Tao; Liu, Jin-Huai

2012-01-01

Metal oxide gas sensors are predominant solid-state gas detecting devices for domestic, commercial and industrial applications, which have many advantages such as low cost, easy production, and compact size. However, the performance of such sensors is significantly influenced by the morphology and structure of sensing materials, resulting in a great obstacle for gas sensors based on bulk materials or dense films to achieve highly-sensitive properties. Lots of metal oxide nanostructures have been developed to improve the gas sensing properties such as sensitivity, selectivity, response speed, and so on. Here, we provide a brief overview of metal oxide nanostructures and their gas sensing properties from the aspects of particle size, morphology and doping. When the particle size of metal oxide is close to or less than double thickness of the space-charge layer, the sensitivity of the sensor will increase remarkably, which would be called "small size effect", yet small size of metal oxide nanoparticles will be compactly sintered together during the film coating process which is disadvantage for gas diffusion in them. In view of those reasons, nanostructures with many kinds of shapes such as porous nanotubes, porous nanospheres and so on have been investigated, that not only possessed large surface area and relatively mass reactive sites, but also formed relatively loose film structures which is an advantage for gas diffusion. Besides, doping is also an effective method to decrease particle size and improve gas sensing properties. Therefore, the gas sensing properties of metal oxide nanostructures assembled by nanoparticles are reviewed in this article. The effect of doping is also summarized and finally the perspectives of metal oxide gas sensor are given.

Dielectric and piezoelectric properties of neodymium oxide doped ...

Indian Academy of Sciences (India)

Unknown

Abstract. The dielectric and electromechanical properties of lead zirconate titanate [Pb(Zr, Ti)O3] ceramic added with neodymium oxide have been systematically studied employing the vector impedance spectroscopic. (VIS) technique. The specimens were prepared using the mixed oxide route by adding different mol% of.

Characterizing physical properties and heterogeneous chemistry of single particles in air using optical trapping-Raman spectroscopy

Science.gov (United States)

Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.

2017-12-01

Heterogeneous reactions of solid particles in a gaseous environment are of increasing interest; however, most of the heterogeneous chemistry studies of airborne solids were conducted on particle ensembles. A close examination on the heterogeneous chemistry between single particles and gaseous-environment species is the key to elucidate the fundamental mechanisms of hydroscopic growth, cloud nuclei condensation, secondary aerosol formation, etc., and reduce the uncertainty of models in radiative forcing, climate change, and atmospheric chemistry. We demonstrate an optical trapping-Raman spectroscopy (OT-RS) system to study the heterogeneous chemistry of the solid particles in air at single-particle level. Compared to other single-particle techniques, optical trapping offers a non-invasive, flexible, and stable method to isolate single solid particle from substrates. Benefited from two counter-propagating hollow beams, the optical trapping configuration is adaptive to trap a variety of particles with different materials from inorganic substitution (carbon nanotubes, silica, etc.) to organic, dye-doped polymers and bioaerosols (spores, pollen, etc.), with different optical properties from transparent to strongly absorbing, with different sizes from sub-micrometers to tens of microns, or with distinct morphologies from loosely packed nanotubes to microspheres and irregular pollen grains. The particles in the optical trap may stay unchanged, surface degraded, or optically fragmented according to different laser intensity, and their physical and chemical properties are characterized by the Raman spectra and imaging system simultaneously. The Raman spectra is able to distinguish the chemical compositions of different particles, while the synchronized imaging system can resolve their physical properties (sizes, shapes, morphologies, etc.). The temporal behavior of the trapped particles also can be monitored by the OT-RS system at an indefinite time with a resolution from

Oxidation of a new Biogenic VOC: Chamber Studies of the Atmospheric Chemistry of Methyl Chavicol

Science.gov (United States)

Bloss, William; Alam, Mohammed; Adbul Raheem, Modinah; Rickard, Andrew; Hamilton, Jacqui; Pereira, Kelly; Camredon, Marie; Munoz, Amalia; Vazquez, Monica; Vera, Teresa; Rodenas, Mila

2013-04-01

The oxidation of volatile organic compounds (VOCs) leads to formation of ozone and SOA, with consequences for air quality, health, crop yields, atmospheric chemistry and radiative transfer. Recent observations have identified Methyl Chavicol ("MC": Estragole; 1-allyl-4-methoxybenzene, C10H12O) as a major BVOC above pine forests in the USA, and oil palm plantations in Malaysian Borneo. Palm oil cultivation, and hence MC emissions, may be expected to increase with societal food and bio fuel demand. We present the results of a series of simulation chamber experiments to assess the atmospheric fate of MC. Experiments were performed in the EUPHORE facility, monitoring stable product species, radical intermediates, and aerosol production and composition. We determine rate constants for reaction of MC with OH and O3, and ozonolysis radical yields. Stable product measurements (FTIR, PTRMS, GC-SPME) are used to determine the yields of stable products formed from OH- and O3- initiated oxidation, and to develop an understanding of the initial stages of the MC degradation chemistry. A surrogate mechanism approach is used to simulate MC degradation within the MCM, evaluated in terms of ozone production measured in the chamber experiments, and applied to quantify the role of MC in the real atmosphere.

Nanostructured Metal Oxides for Stoichiometric Degradation of Chemical Warfare Agents.

Science.gov (United States)

Štengl, Václav; Henych, Jiří; Janoš, Pavel; Skoumal, Miroslav

2016-01-01

Metal oxides have very important applications in many areas of chemistry, physics and materials science; their properties are dependent on the method of preparation, the morphology and texture. Nanostructured metal oxides can exhibit unique characteristics unlike those of the bulk form depending on their morphology, with a high density of edges, corners and defect surfaces. In recent years, methods have been developed for the preparation of metal oxide powders with tunable control of the primary particle size as well as of a secondary particle size: the size of agglomerates of crystallites. One of the many ways to take advantage of unique properties of nanostructured oxide materials is stoichiometric degradation of chemical warfare agents (CWAs) and volatile organic compounds (VOC) pollutants on their surfaces.

Preparation and investigations of thermal properties of copper oxide ...

Indian Academy of Sciences (India)

The effects of copper oxide, aluminium oxide and graphite on the thermal and structural properties of the organic ... solar energy, and heat regulation of electronics, biomedical ..... We gratefully acknowledge the financial support provided by.

Cation Effects on the Layer Structure of Biogenic Mn-Oxides

Energy Technology Data Exchange (ETDEWEB)

Zhu, M.; Ginder-Vogel, M; Parikh, S; Feng, X; Sparks, D

2010-01-01

Biologically catalyzed Mn(II) oxidation produces biogenic Mn-oxides (BioMnO{sub x}) and may serve as one of the major formation pathways for layered Mn-oxides in soils and sediments. The structure of Mn octahedral layers in layered Mn-oxides controls its metal sequestration properties, photochemistry, oxidizing ability, and topotactic transformation to tunneled structures. This study investigates the impacts of cations (H{sup +}, Ni(II), Na{sup +}, and Ca{sup 2+}) during biotic Mn(II) oxidation on the structure of Mn octahedral layers of BioMnO{sub x} using solution chemistry and synchrotron X-ray techniques. Results demonstrate that Mn octahedral layer symmetry and composition are sensitive to previous cations during BioMnO{sub x} formation. Specifically, H{sup +} and Ni(II) enhance vacant site formation, whereas Na{sup +} and Ca{sup 2+} favor formation of Mn(III) and its ordered distribution in Mn octahedral layers. This study emphasizes the importance of the abiotic reaction between Mn(II) and BioMnO{sub x} and dependence of the crystal structure of BioMnO{sub x} on solution chemistry.

Temperature-dependent electrical property transition of graphene oxide paper

International Nuclear Information System (INIS)

Huang Xingyi; Jiang Pingkai; Zhi Chunyi; Golberg, Dmitri; Bando, Yoshio; Tanaka, Toshikatsu

2012-01-01

Reduction of graphene oxide is primarily important because different reduction methods may result in graphene with totally different properties. For systematically exploring the reduction of graphene oxide, studies of the temperature-dependent electrical properties of graphene oxide (GO) are urgently required. In this work, for the first time, broadband dielectric spectroscopy was used to carry out an in situ investigation on the transition of the electrical properties of GO paper from −40 to 150 °C. The results clearly reveal a very interesting four-stage transition of electrical properties of GO paper with increasing temperature: insulator below 10 °C (stage 1), semiconductor at between 10 and 90 °C (stage 2), insulator at between 90 and 100 °C (stage 3), and semiconductor again at above 100 °C (stage 4). Subsequently, the transition mechanism was discussed in combination with detailed dielectric properties, microstructure and thermogravimetric analyses. It is suggested that the temperature-dependent transition of electronic properties of GO is closely associated with the ion mobility, water molecules removal and the reduction of GO in the GO paper. Most importantly, the present work clearly demonstrates the reduction of GO paper starts at above 100 °C. (paper)

Quantitative analysis chemistry

International Nuclear Information System (INIS)

Ko, Wansuk; Lee, Choongyoung; Jun, Kwangsik; Hwang, Taeksung

1995-02-01

This book is about quantitative analysis chemistry. It is divided into ten chapters, which deal with the basic conception of material with the meaning of analysis chemistry and SI units, chemical equilibrium, basic preparation for quantitative analysis, introduction of volumetric analysis, acid-base titration of outline and experiment examples, chelate titration, oxidation-reduction titration with introduction, titration curve, and diazotization titration, precipitation titration, electrometric titration and quantitative analysis.

From Graphene Oxide to Reduced Graphene Oxide: Impact on the Physiochemical and Mechanical Properties of Graphene-Cement Composites.

Science.gov (United States)

Gholampour, Aliakbar; Valizadeh Kiamahalleh, Meisam; Tran, Diana N H; Ozbakkaloglu, Togay; Losic, Dusan

2017-12-13

Graphene materials have been extensively explored and successfully used to improve performances of cement composites. These formulations were mainly optimized based on different dosages of graphene additives, but with lack of understanding of how other parameters such as surface chemistry, size, charge, and defects of graphene structures could impact the physiochemical and mechanical properties of the final material. This paper presents the first experimental study to evaluate the influence of oxygen functional groups of graphene and defectiveness of graphene structures on the axial tension and compression properties of graphene-cement mortar composites. A series of reduced graphene oxide (rGO) samples with different levels of oxygen groups (high, mild, and low) were prepared by the reduction of graphene oxide (GO) using different concentrations of hydrazine (wt %, 0.1, 0.15, 0.2, 0.3, and 0.4%) and different reduction times (5, 10, 15, 30, and 60 min) and were added to cement mortar composites at an optimal dosage of 0.1%. A series of characterization methods including scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, thermogravimetric analysis, and Fourier transform infrared spectroscopy were performed to determine the distribution and mixing of the prepared rGO in the cement matrix and were correlated with the observed mechanical properties of rGO-cement mortar composites. The measurement of the axial tension and compression properties revealed that the oxygen level of rGO additives has a significant influence on the mechanical properties of cement composites. An addition of 0.1% rGO prepared by 15 min reduction and 0.2% (wt %) hydrazine with mild level of oxygen groups resulted in a maximum enhancement of 45.0 and 83.7%, respectively, in the 28-day tensile and compressive strengths in comparison with the plain cement mortar and were higher compared to the composite prepared with GO (37.5 and 77.7%, respectively). These

Powder processing of high Tc oxide superconductors and their properties

International Nuclear Information System (INIS)

Vajpei, A.C.; Upadhyaya, G.S.

1992-01-01

Powder processing of ceramics is an established technology and in the area of high T c superconductors, its importance is felt even more significantly. The present monograph is an attempt in this direction to explore the perspectives and practice of powder processing routes towards control and optimization of the microstructure and pertinent properties of high T c oxide superconductors. The monograph consists of 6 chapters. After a very brief introduction (Chapter 1), Chapter 2 describes various classes of high T c oxide superconductors and their phase equilibria. Chapter 3 highlights the preparation of oxide superconductor powders through various routes and details their subtle distinctions. Chapter 4 briefly covers characterisation of the oxide superconductors, laying emphasis on the process-analysis and microstructure. Chapter 5 describes in detail various fabrication techniques for bulk superconductors through the powder routes. The last Chapter (Chapter 6) describing properties of bulk oxide superconductors, discusses the role of subtituents, compositional variations and processing methods on such properties. References are given at the end of each chapter. (orig.)

Study of the properties of internal oxidized Cu - Al - Ti - Hf alloys

International Nuclear Information System (INIS)

Solopov, V.I.; Daneliya, E.P.; Daneliya, G.V.; Lebasova, O.P.

1982-01-01

Investigation results of mechanical properties and electric conductivity of rods of internally oxidized alloys Cu-Al-Ti-Hf depending on chemical composition, varying in the limits ensuring the formation of disperse enough and evenly distributed over the volume oxide phase. (0-1%Al, 0-0.5%Ti, 0-0.3%Hf, the restcopper), in the process of internal oxidation are presented. Internally oxidized alloys Cu-Al-Ti-Hf have increased strength properties with insignificant increase of specific electric resistance as compared with the known internally oxidized alloys Cu-Al. At that, the best combination of physicomechanical properties is achieved at small contents of titanium (0.01-0.05%) and hafnium (0.01-0.1%)

Chemistry and physical properties of estolides

Directory of Open Access Journals (Sweden)

Isbell, Terry A.

2011-03-01

Full Text Available Estolides are a developing class of natural and synthetic compounds that have been synthesized from hydroxy oils like castor and lesquerella or by the condensation of fatty acids across the olefin of a second fatty acid. Castor and lesquerella estolides are derived from either their triglycerides or their free fatty acids utilizing their hydroxyl moiety to establish the estolide bond. The triglyceride estolides have pour points of 9 to –36ºC but suffer poor oxidative stability with RPVOT times of 29 – 52 minutes even with 1% of an anti-oxidant package incorporated into the samples. In contrast to the triglyceride estolides of castor and lesquerella, the estolides from lesquerolic and ricinoleic acids have very good pour points of –36 to –54ºC. Estolides derived from the acid catalyzed condensation of oleic acid with a variety of fatty acids can be made in good yield and posses a wide range of physical properties. Of particular interest are the saturated capped estolides of oleic that have both good low temperature properties (pour point –5 to – 39ºC and good oxidative stability. Estolides from meadowfoam fatty acids do not have good low temperature properties but have been extensively used in cosmetics where they provide good moisturizing properties.

Los estólidos son una familia de compuestos sintetizados a partir de aceites hidroxilados como los de ricino o lesquerella o mediante la condensación de ácidos grasos sobre el doble enlace de un segundo ácido graso insaturado. Los estólidos de ricino y lesquerela se derivan tanto de sus triglicéridos como de sus ácidos grasos libres empleándose el residuo hidroxilo para formar los ésteres estólidos de los mismos. Los triglicéridos estólidos tienen puntos de fluidez crítica de entre 9 y -36ºC y baja estabilidad, con tiempos de oxidación en recipiente vacío a presión (RPVOT de entre 29 y 52 minutos incluso con la adición de un 1% de una mezcla antioxidante a las

Non-OH Chemistry in Oxidation Flow Reactors for the Study of Atmospheric Chemistry Systematically Examined by Modeling

Science.gov (United States)

Peng, Zhe; Day, Douglas A.; Ortega, Amber M.; Palm, Brett B.; Hu, Weiwei; Stark, Harald; Li, Rui; Tsigaridis, Kostas; Brune, William H.; Jimenez, Jose L.

2016-01-01

Oxidation flow reactors (OFRs) using low-pressure Hg lamp emission at 185 and 254 nm produce OH radicals efficiently and are widely used in atmospheric chemistry and other fields. However, knowledge of detailed OFR chemistry is limited, allowing speculation in the literature about whether some non-OH reactants, including several not relevant for tropospheric chemistry, may play an important role in these OFRs. These non-OH reactants are UV radiation, O(1D), O(3P), and O3. In this study, we investigate the relative importance of other reactants to OH for the fate of reactant species in OFR under a wide range of conditions via box modeling. The relative importance of non-OH species is less sensitive to UV light intensity than to relative humidity (RH) and external OH reactivity (OHRext), as both non-OH reactants and OH scale roughly proportional to UV intensity. We show that for field studies in forested regions and also the urban area of Los Angeles, reactants of atmospheric interest are predominantly consumed by OH. We find that O(1D), O(3P), and O3 have relative contributions to VOC consumption that are similar or lower than in the troposphere. The impact of O atoms can be neglected under most conditions in both OFR and troposphere. Under pathological OFR conditions of low RH and/or high OHRext, the importance of non-OH reactants is enhanced because OH is suppressed. Some biogenics can have substantial destructions by O3, and photolysis at non-tropospheric wavelengths (185 and 254 nm) may also play a significant role in the degradation of some aromatics under pathological conditions. Working under low O2 with the OFR185 mode allows OH to completely dominate over O3 reactions even for the biogenic species most reactive with O3. Non-tropospheric VOC photolysis may have been a problem in some laboratory and source studies, but can be avoided or lessened in future studies by diluting source emissions and working at lower precursor concentrations in lab studies, and by

Antiparallel Dynamic Covalent Chemistries.

Science.gov (United States)

Matysiak, Bartosz M; Nowak, Piotr; Cvrtila, Ivica; Pappas, Charalampos G; Liu, Bin; Komáromy, Dávid; Otto, Sijbren

2017-05-17

The ability to design reaction networks with high, but addressable complexity is a necessary prerequisite to make advanced functional chemical systems. Dynamic combinatorial chemistry has proven to be a useful tool in achieving complexity, however with some limitations in controlling it. Herein we introduce the concept of antiparallel chemistries, in which the same functional group can be channeled into one of two reversible chemistries depending on a controllable parameter. Such systems allow both for achieving complexity, by combinatorial chemistry, and addressing it, by switching from one chemistry to another by controlling an external parameter. In our design the two antiparallel chemistries are thiol-disulfide exchange and thio-Michael addition, sharing the thiol as the common building block. By means of oxidation and reduction the system can be reversibly switched from predominantly thio-Michael chemistry to predominantly disulfide chemistry, as well as to any intermediate state. Both chemistries operate in water, at room temperature, and at mildly basic pH, which makes them a suitable platform for further development of systems chemistry.

BWR fuel performance under advanced water chemistry conditions – a delicate journey towards zero fuel failures – a review

International Nuclear Information System (INIS)

Hettiarachchi, S.

2015-01-01

Boiling Water Reactors (BWRs) have undergone a variety of chemistry evolutions over the past few decades as a result of the need to control stress corrosion cracking of reactor internals, radiation fields and personnel exposure. Some of the advanced chemistry changes include hydrogen addition, zinc addition, iron reduction using better filtration technologies, and more recently noble metal chemical addition to many of the modern day operating BWRs. These water chemistry evolutions have resulted in changes in the crud distribution on fuel cladding material, Co-60 levels and the Rod oxide thickness (ROXI) measurements using the conventional eddy current techniques. A limited number of Post-Irradiation Examinations (PIE) of fuel rods that exhibited elevated oxide thickness using eddy current techniques showed that the actual oxide thickness by metallography is much lower. The difference in these observations is attributed to the changing magnetic properties of the crud affecting the rod oxide thickness measurement by the eddy current technique. This paper will review and summarize the BWR fuel cladding performance under these advanced and improved water chemistry conditions and how these changes have affected the goal to reach zero fuel failures. The paper will also provide a brief summary of some of the results of hot cell PIE, results of crud composition evaluation, crud spallation, oxide thickness measurements, hydrogen content in the cladding and some fuel failure observations. (author) Key Words: Boiling Water Reactor, Fuel Performance, Hydrogen Addition, Zinc Addition, Noble Metal Chemical Addition, Zero Leakers

In situ Investigation of Oxide Films on Zirconium Alloy in PWR Primary Water Chemistry

Energy Technology Data Exchange (ETDEWEB)

Kim, Taeho; Choi, Kyoung Joon; Yoo, Seung Chang; Kim, Ji Hyun [Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

2015-05-15

Zirconium alloys are used as fuel cladding materials in nuclear power reactors, because these materials have a very low thermal neutron capture cross section as well as desirable mechanical properties. However, the Fukushima accident shows that the oxidation behavior of zirconium alloy is an important issue because the zirconium alloy functions as a shield of nuclear material (i.e., uranium, fission gas), and the degradation on zirconium cladding directly causes severe accident on nuclear power plant. Therefore, to ensure the safety of nuclear power reactors, the performance and sustainability of nuclear fuel should be understood. Currently, the water-metal interface is regarded as the rate-controlling site governing the rapid oxidation transition in high-burn-up fuels. Zirconium oxide is formed at the water-metal interface, and its structure and phase play an important role in determining its mechanical properties. In the early stage of the oxidation process, zirconium oxide with both tetragonal and monoclinic phases is formed. With an increase in the oxidation time to 150 h, the unstable tetragonal phase disappears and the monoclinic phase is dominant and possibly because of the stress relaxation according to previous and present results.

Tin Oxide Chemistry from the Last Decade of the Nineteenth Century to the First Decade of the Twenty-First Century: Towards the Development of a Big-Picture Approach to the Teaching and Learning of Chemistry while Focussing on a Specific Compound or Class of Compounds

Science.gov (United States)

de Berg, Kevin C.

2010-01-01

The discovery of the electron in 1897 deeply impacted the nature of chemistry in the twentieth century. A revolution in the theoretical structure of chemistry as well as in the instrumental tools used in chemical analysis occurred as a result of this discovery. The impact of this revolution on tin oxide chemistry over approximately a 100 year…

The intercalation chemistry of layered iron chalcogenide superconductors

Energy Technology Data Exchange (ETDEWEB)

Vivanco, Hector K.; Rodriguez, Efrain E., E-mail: efrain@umd.edu

2016-10-15

The iron chalcogenides FeSe and FeS are superconductors composed of two-dimensional sheets held together by van der Waals interactions, which makes them prime candidates for the intercalation of various guest species. We review the intercalation chemistry of FeSe and FeS superconductors and discuss their synthesis, structure, and physical properties. Before we review the latest work in this area, we provide a brief background on the intercalation chemistry of other inorganic materials that exhibit enhanced superconducting properties upon intercalation, which include the transition metal dichalcogenides, fullerenes, and layered cobalt oxides. From past studies of these intercalated superconductors, we discuss the role of the intercalates in terms of charge doping, structural distortions, and Fermi surface reconstruction. We also briefly review the physical and chemical properties of the host materials—mackinawite-type FeS and β-FeSe. The three types of intercalates for the iron chalcogenides can be placed in three categories: 1.) alkali and alkaline earth cations intercalated through the liquid ammonia technique; 2.) cations intercalated with organic amines such as ethylenediamine; and 3.) layered hydroxides intercalated during hydrothermal conditions. A recurring theme in these studies is the role of the intercalated guest in electron doping the chalcogenide host and in enhancing the two-dimensionality of the electronic structure by spacing the FeSe layers apart. We end this review discussing possible new avenues in the intercalation chemistry of transition metal monochalcogenides, and the promise of these materials as a unique set of new inorganic two-dimensional systems.

Different magnetic properties of rhombohedral and cubic Ni2+ doped indium oxide nanomaterials

Directory of Open Access Journals (Sweden)

Qingbo Sun

2011-12-01

Full Text Available Transition metal ions doped indium oxide nanomaterials were potentially used as a kind of diluted magnetic semiconductors in transparent spintronic devices. In this paper, the influences of Ni2+ doped contents and rhombohedral or cubic crystalline structures of indium oxide on magnetic properties were investigated. We found that the magnetic properties of Ni2+ doped indium oxide could be transferred from room temperature ferromagnetisms to paramagnetic properties with increments of doped contents. Moreover, the different crystalline structures of indium oxide also greatly affected the room temperature ferromagnetisms due to different lattice constants and almost had no effects on their paramagnetic properties. In addition, both the ferromagnetic and paramagnetic properties were demonstrated to be intrinsic and not caused by impurities.

Precursor directed synthesis - ``molecular'' mechanisms in the Soft Chemistry approaches and their use for template-free synthesis of metal, metal oxide and metal chalcogenide nanoparticles and nanostructures

Science.gov (United States)

Seisenbaeva, Gulaim A.; Kessler, Vadim G.

2014-05-01

This review provides an insight into the common reaction mechanisms in Soft Chemistry processes involved in nucleation, growth and aggregation of metal, metal oxide and chalcogenide nanoparticles starting from metal-organic precursors such as metal alkoxides, beta-diketonates, carboxylates and their chalcogene analogues and demonstrates how mastering the precursor chemistry permits us to control the chemical and phase composition, crystallinity, morphology, porosity and surface characteristics of produced nanomaterials.This review provides an insight into the common reaction mechanisms in Soft Chemistry processes involved in nucleation, growth and aggregation of metal, metal oxide and chalcogenide nanoparticles starting from metal-organic precursors such as metal alkoxides, beta-diketonates, carboxylates and their chalcogene analogues and demonstrates how mastering the precursor chemistry permits us to control the chemical and phase composition, crystallinity, morphology, porosity and surface characteristics of produced nanomaterials. To Professor David Avnir on his 65th birthday.

Effects of water chemistry and fluid dynamics on wall thinning behavior. Part 1. Development of FAC model focused on water chemistry and composition of material

International Nuclear Information System (INIS)

Fujiwara, Kazutoshi; Domae, Masafumi; Ohta, Joji; Yoneda, Kimitoshi; Inada, Fumio

2009-01-01

Flow Accelerated Corrosion (FAC), which is one of the important subjects at fossil and nuclear power plans, is caused by the accelerated dissolution of protective oxide film due to the turbulent flow. The influence factors on FAC such as water chemistry, material, and fluid dynamics are closely related to the oxide property so that the risk of FAC can be reduced by the suitable control of water chemistry. There are some FAC models and evaluation codes of FAC rate. Some of them are used in wall thinning management of nuclear power plant in some country. Nevertheless, these FAC codes include many empirical parameters so that some uncertainty to evaluate the synergistic effectiveness of factors are the controversial point for the application of FAC code to wall thinning management in Japanese nuclear power plant. In this study, a FAC model that can evaluate the effect of temperature, NH3 concentration, chromium content, and dissolved oxygen concentration on FAC rate was developed by considering the diffusion of dissolved species. The critical dissolved oxygen concentration, which can inhibit FAC, was also calculated by this model. (author)

Molecular-level chemistry of model single-crystal oxide surfaces with model halogenated compounds

Science.gov (United States)

Adib, Kaveh

Synchrotron-based X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD) and low energy electron diffraction (LEED) have been used to investigate, at a molecular level, the chemistry of different terminations of single crystal iron-oxide surfaces with probe molecules (CCl4 and D2O). Comparisons of the reactivity of these surfaces towards CCl4, indicate that the presence of an uncapped surface Fe cation (strong Lewis acid site) and an adjacent oxygen site capped by that cation can effect the C-Cl bond cleavage in CCl4, resulting in dissociatively adsorbed Cl-adatoms and carbon-containing fragments. If in addition to these sites, an uncapped surface oxygen (Lewis base) site is also available, the carbon-containing moiety can then move that site, coordinate itself with that uncapped oxygen, and stabilize itself. At a later step, the carbon-containing fragment may form a strong covalent bond with the uncapped oxygen and may even abstract that surface oxygen. On the other hand, if an uncapped oxygen is not available to stabilize the carbon-containing fragment, the surface coordination will not occur and upon the subsequent thermal annealing of the surface the Cl-adatoms and the carbon-containing fragments will recombine and desorb as CCl4. Finally, the presence of surface deuteroxyls blocking the strong Lewis acid and base sites of the reactive surface, passivates this surface. Such a deuteroxylated surface will be unreactive towards CCl 4. Such a molecular level understanding of the surface chemistry of metal-oxides will have applications in the areas of selective catalysis, including environmental catalysis, and chemical sensor technology.

Graphene oxide decorated electrospun gelatin nanofibers: Fabrication, properties and applications

Energy Technology Data Exchange (ETDEWEB)

Jalaja, K. [Department of Chemistry, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram, Kerala 695 547 (India); Sreehari, V.S. [Indian Institute of Science Education and Research Bhopal, Bhauri, Madhya Pradesh 462066 (India); Kumar, P.R. Anil [Tissue culture laboratory, Biomedical Technology Wing, Sree Chitra Tirunal Institute for Medical Sciences and Technology, Poojappura, Thiruvananthapuram, Kerala 695 012 (India); Nirmala, R. James, E-mail: nirmala@iist.ac.in [Department of Chemistry, Indian Institute of Space Science and Technology, Valiamala, Thiruvananthapuram, Kerala 695 547 (India)

2016-07-01

Gelatin nanofiber fabricated by electrospinning process is found to mimic the complex structural and functional properties of natural extracellular matrix for tissue regeneration. In order to improve the physico-chemical and biological properties of the nanofibers, graphene oxide is incorporated in the gelatin to form graphene oxide decorated gelatin nanofibers. The current research effort is focussed on the fabrication and evaluation of physico-chemical and biological properties of graphene oxide-gelatin composite nanofibers. The presence of graphene oxide in the nanofibers was established by transmission electron microscopy (TEM). We report the effect of incorporation of graphene oxide on the mechanical, thermal and biological performance of the gelatin nanofibers. The tensile strength of gelatin nanofibers was increased from 8.29 ± 0.53 MPa to 21 ± 2.03 MPa after the incorporation of GO. In order to improve the water resistance of nanofibers, natural based cross-linking agent, namely, dextran aldehyde was employed. The cross-linked composite nanofibers showed further increase in the tensile strength up to 56.4 ± 2.03 MPa. Graphene oxide incorporated gelatin nanofibers are evaluated for bacterial activity against gram positive (Staphylococcus aureus) and gram negative (Escherichia coli) bacteria and cyto compatibility using mouse fibroblast cells (L-929 cells). The results indicate that the graphene oxide incorporated gelatin nanofibers do not prevent bacterial growth, nevertheless support the L-929 cell adhesion and proliferation. - Highlights: • Graphene oxide nano reinforced gelatin nanofibers are fabricated by electrospinning. • Graphene oxide (0.5%) loading resulted in increased tensile strength. • GO/gelatin nanofibers are cross-linked with dextran aldehyde. • Composite nanofibers favoured adhesion of L-929 cells. • GO/gelatin mats do not prevent bacterial growth.

Aromatic-radical oxidation chemistry

Energy Technology Data Exchange (ETDEWEB)

Glassman, I.; Brezinsky, K. [Princeton Univ., NJ (United States)

1993-12-01

The research effort has focussed on discovering an explanation for the anomalously high CO{sub 2} concentrations observed early in the reaction sequence of the oxidation of cyclopentadiene. To explain this observation, a number of plausible mechanisms have been developed which now await experimental verification. One experimental technique for verifying mechanisms is to probe the reacting system by perturbing the radical concentrations. Two forms of chemical perturbation of the oxidation of cyclopentadiene were begun during this past year--the addition of NO{sub 2} and CO to the reacting mixture.

Studies of physicochemical properties of graphite oxide and thermally exfoliated/reduced graphene oxide

Directory of Open Access Journals (Sweden)

Drewniak Sabina Elżbieta

2015-12-01

Full Text Available The aim of the experimental research studies was to determine some electrical properties of graphite oxide and thermally exfoliated/reduced graphene oxide. The authors tried to interpret the obtained physicochemical results. For that purpose, both resistance measurements and investigation studies were carried out in order to characterize the samples. The resistance was measured at various temperatures in the course of composition changes of gas atmospheres (which surround the samples. The studies were also supported by such methods as: scanning electron microscopy (SEM, Raman spectroscopy (RS, atomic force microscopy (AFM and thermogravimetry (TG. Moreover, during the experiments also the elemental analyses (EA of the tested samples (graphite oxide and thermally exfoliated/reduced graphene oxide were performed.

Progress report 1981-1982. Reactor Chemistry Department

International Nuclear Information System (INIS)

1983-08-01

Review of the activities performed by the Reactor Chemistry Department of the National Atomic Energy Commission of Argentina during 1981-1982. This Department provides services and assistance in all matters related to water chemistry and nuclear reactors chemistry, in all their phases: design, construction, commissioning and decommissioning. During this period, the following tasks were performed: study of the metallic oxide-water interphases; determination of the goethite and magnetite surficial charges; synthesis of the monodispersed nickel ferrites; study of the iron oxides dissolution mechanism in presence of different complexing agents; chemical decontamination of structural metals; thermodynamics of the water-nitrogen system; physico-chemical studies of aqueous solutions at high temperatures; hydrothermal decomposition of ionic exchange resines and study of the equilibria of the anionic exchange for the chemistry of pressurized reactor's primary loops. The appendix includes information on the Reactor Chemistry Department staff, its publications, services, seminars, courses and conferences performed during 1981-1982. (R.J.S.) [es

Chemistry of americium

Energy Technology Data Exchange (ETDEWEB)

Schulz, W.W.

1976-01-01

Essential features of the descriptive chemistry of americium are reviewed. Chapter titles are: discovery, atomic and nuclear properties, collateral reading, production and uses, chemistry in aqueous solution, metal, alloys, and compounds, and, recovery, separation, purification. Author and subject indexes are included. (JCB)

Physical properties of beryllium oxide - Irradiation effects

International Nuclear Information System (INIS)

Elston, J.; Caillat, R.

1958-01-01

This work has been carried out in view of determining several physical properties of hot-pressed beryllium oxide under various conditions and the change of these properties after irradiation. Special attention has been paid on to the measurement of the thermal conductivity coefficient and thermal diffusivity coefficient. Several designs for the measurement of the thermal conductivity coefficient have been achieved. They permit its determination between 50 and 300 deg. C, between 400 and 800 deg. C. Some measurements have been made above 1000 deg. C. In order to measure the thermal diffusivity coefficient, we heat a perfectly flat surface of a sample in such a way that the heat flux is modulated (amplitude and frequency being adjustable). The thermal diffusivity coefficient is deduced from the variations of temperature observed on several spots. Tensile strength; compressive strength; expansion coefficient; sound velocity and crystal parameters have been also measured. Some of the measurements have been carried out after neutron irradiation. Some data have been obtained on the change of the properties of beryllium oxide depending on the integrated neutron flux. (author) [fr

Composition-structure-property relation of oxide glasses

DEFF Research Database (Denmark)

Hermansen, Christian

also increases such properties. Yet, these rules are not strictly followed even for the simplest binary oxide glasses, such as alkali silicates, borates and phosphates. In this thesis it is argued that the missing link between composition and properties is the glass structure. Structural models...... are proposed based on topological selection rules and experimentally verified. The relation between structure and properties is evaluated using topological constraint theory, which in its essence is a theory that quantifies the two intuitions of the glass scientist. The end result is a quantitative model...

Recyclable surfaces for amine conjugation chemistry via redox reaction

Energy Technology Data Exchange (ETDEWEB)

Choi, Inseong; Yeo, Woon Seok [Dept. of Bioscience and Biotechnology, Bio/Molecular Informatics Center, Konkuk University, Seoul (Korea, Republic of); Bae, Se Won [Green Materials and Process Group, Research Institute of Sustainable Manufacturing System, Korea Institute of Industrial Technology, Cheonan (Korea, Republic of)

2017-02-15

In this study, we extended this strategy to present a switchable surface that allows surface functionalization and removal of functional groups repeatedly. The substrate presenting a benzoquinone acid group is first used to immobilize with an amine-containing (bio)molecule using well-known conjugation chemistry. The benzoquinone group is then converted to the corresponding hydroquinone by treating with a reducing agent. We have described a strategy for the dynamic control of surface properties with recyclability via a simple reduction/ oxidation reaction. A stimuli-responsive quinone derivative was harnessed for the repeated immobilization and release of (bio)molecules, and thus, for the repeated dynamic change of the surface properties according to the characteristics of the immobilized (bio)molecules.

Measurement and control of in-plane surface chemistry during the oxidation of H-terminated (111) Si

Science.gov (United States)

Gokce, Bilal; Adles, Eric J.; Aspnes, David E.; Gundogdu, Kenan

2010-01-01

In-plane directional control of surface chemistry during interface formation can lead to new opportunities regarding device structures and applications. Control of this type requires techniques that can probe and hence provide feedback on the chemical reactivity of bonds not only in specific directions but also in real time. Here, we demonstrate both control and measurement of the oxidation of H-terminated (111) Si. Control is achieved by externally applying uniaxial strain, and measurement by second-harmonic generation (SHG) together with the anisotropic-bond model of nonlinear optics. In this system anisotropy results because bonds in the strain direction oxidize faster than those perpendicular to it, leading in addition to transient structural changes that can also be detected at the bond level by SHG. PMID:20876145

General chemistry

International Nuclear Information System (INIS)

Kwon, Yeong Sik; Lee, Dong Seop; Ryu, Haung Ryong; Jang, Cheol Hyeon; Choi, Bong Jong; Choi, Sang Won

1993-07-01

The book concentrates on the latest general chemistry, which is divided int twenty-three chapters. It deals with basic conception and stoichiometry, nature of gas, structure of atoms, quantum mechanics, symbol and structure of an electron of ion and molecule, chemical thermodynamics, nature of solid, change of state and liquid, properties of solution, chemical equilibrium, solution and acid-base, equilibrium of aqueous solution, electrochemistry, chemical reaction speed, molecule spectroscopy, hydrogen, oxygen and water, metallic atom; 1A, IIA, IIIA, carbon and atom IVA, nonmetal atom and an inert gas, transition metals, lanthanons, and actinoids, nuclear properties and radioactivity, biochemistry and environment chemistry.

Comparative experimental and modeling study of the low- to moderate-temperature oxidation chemistry of 2,5-dimethylfuran, 2-methylfuran, and furan

KAUST Repository

Tran, Luc-Sy; Wang, Zhandong; Carstensen, Hans-Heinrich; Hemken, Christian; Battin-Leclerc, Fré dé rique; Kohse-Hö inghaus, Katharina

2017-01-01

The reaction chemistry of furanic fuels, proposed as next-generation bio-derived fuels, has been a target of recent studies. However, quantitative intermediate species profiles at low- to moderate-temperature (LMT) conditions remain scarce. The present paper reports the first systematic full speciation dataset in the temperature range 730–1170 K for three furanic fuels, 2,5-dimethylfuran (DMF), 2-methylfuran (MF), and furan, measured for different equivalence ratios under near-identical LMT conditions in a flow reactor at 1 bar. More than 35 species including reactants, intermediate species, and products were analyzed using electron ionization (EI) molecular-beam mass spectrometry (MBMS). These experimental results provided motivation to extend a previous single joint mechanism for the three furanic fuels, developed for the high-temperature regime in low-pressure premixed flames, to include the LMT oxidation chemistry. A decisive difference of the present mechanism versus all previously reported models is a more complete description of fuel radical reactions for LMT oxidation, obtained from theoretical calculations of thermodynamic properties and rate constants. The experimentally observed differences in fuel conversion behavior and species distribution between the three fuels have been compared to model predictions using the newly extended mechanism. The dependence of fuel conversion on equivalence ratio decreases significantly from DMF to furan, a behavior consistent with the different number of lateral methyl groups in the fuel structure. All three furanic fuels, especially DMF, produce several highly toxic oxygenated species including acrolein, methyl vinyl ketone, furfural, and phenol. These toxic species were found to be products of the primary reactions of these fuels, and these undesirable trends could be explained satisfactorily by the present model, pointing to some caution with regard to the potential emission spectra under LMT conditions.

Comparative experimental and modeling study of the low- to moderate-temperature oxidation chemistry of 2,5-dimethylfuran, 2-methylfuran, and furan

KAUST Repository

Tran, Luc-Sy

2017-04-21

The reaction chemistry of furanic fuels, proposed as next-generation bio-derived fuels, has been a target of recent studies. However, quantitative intermediate species profiles at low- to moderate-temperature (LMT) conditions remain scarce. The present paper reports the first systematic full speciation dataset in the temperature range 730–1170 K for three furanic fuels, 2,5-dimethylfuran (DMF), 2-methylfuran (MF), and furan, measured for different equivalence ratios under near-identical LMT conditions in a flow reactor at 1 bar. More than 35 species including reactants, intermediate species, and products were analyzed using electron ionization (EI) molecular-beam mass spectrometry (MBMS). These experimental results provided motivation to extend a previous single joint mechanism for the three furanic fuels, developed for the high-temperature regime in low-pressure premixed flames, to include the LMT oxidation chemistry. A decisive difference of the present mechanism versus all previously reported models is a more complete description of fuel radical reactions for LMT oxidation, obtained from theoretical calculations of thermodynamic properties and rate constants. The experimentally observed differences in fuel conversion behavior and species distribution between the three fuels have been compared to model predictions using the newly extended mechanism. The dependence of fuel conversion on equivalence ratio decreases significantly from DMF to furan, a behavior consistent with the different number of lateral methyl groups in the fuel structure. All three furanic fuels, especially DMF, produce several highly toxic oxygenated species including acrolein, methyl vinyl ketone, furfural, and phenol. These toxic species were found to be products of the primary reactions of these fuels, and these undesirable trends could be explained satisfactorily by the present model, pointing to some caution with regard to the potential emission spectra under LMT conditions.

DOE fundamentals handbook: Chemistry

International Nuclear Information System (INIS)

1993-01-01

The Chemistry Handbook was developed to assist nuclear facility operating contractors in providing operators, maintenance personnel, and the technical staff with the necessary fundamentals training to ensure a basic understanding of chemistry. The handbook includes information on the atomic structure of matter; chemical bonding; chemical equations; chemical interactions involved with corrosion processes; water chemistry control, including the principles of water treatment; the hazards of chemicals and gases, and basic gaseous diffusion processes. This information will provide personnel with a foundation for understanding the chemical properties of materials and the way these properties can impose limitations on the operation of equipment and systems

Ni-doped (CeO2−δ)–YSZ mesoarchitectured with nanocrystalline framework: the effect of thermal treatment on structure, surface chemistry and catalytic properties in the partial oxidation of methane (CPOM)

International Nuclear Information System (INIS)

Somacescu, Simona; Florea, Mihaela; Osiceanu, Petre; Calderon-Moreno, Jose Maria; Ghica, Corneliu; Serra, Jose Manuel

2015-01-01

Ni-doped (CeO 2−δ )–YSZ (5 mol% Ni oxide, 10 mol% ceria) mesoarchitectures (MA) with nanocrystalline framework have been synthesized by an original, facile and cheap approach based on Triton X100 nonionic surfactant as template and water as solvent at a strong basic pH value. Following the hydrothermal treatment under autogenous pressure (∼18 bars), Ni, Ce, Y, and Zr were well ordered as MA with nanocrystalline framework, assuring thermal stability. A comprehensive investigation of structure, texture, morphology, and surface chemistry was performed by means of a variety of complementary techniques (X-Ray Diffraction, XRD; Raman Spectroscopy, RS; Brunauer—Emmett—Teller, BET; Temperature—Programmed Reduction, TPR; Transmission Electron Microscopy, TEM and DF-STEM; X-ray Photoelectron Spectroscopy, XPS; Catalytic activity and selectivity). N 2 sorption measurements highlighted that the mesoporous structure is formed at 600 °C and remains stable at 800 °C. At 900 °C, the MA collapses, favoring the formation of macropores. The XRD and Raman Spectroscopy of all samples showed the presence of a pure, single phase with fluorite-type structure. At 900 °C, an increased tetragonal distortion of the cubic lattice was observed. The surface chemistry probed by XPS exhibits a mixture of oxidation states (Ce 3+  + Ce 4+ ) with high percentage of Ce 3+ valence state ∼35 % and (Ni 3+ and Ni 2+ ) oxidation states induced by the thermal treatment. These nanoparticles assembled into MA show high stability and selectivity over time in catalytic partial oxidation of methane (CPOM). These promising performances suggest an interesting prospect for introduction as anode within IT-SOFC assemblies.Graphical Abstract

Topological properties and functionalities in oxide thin films and interfaces

Science.gov (United States)

Uchida, Masaki; Kawasaki, Masashi

2018-04-01

As symbolized by the Nobel Prize in Physics 2016, ‘topology’ has been recognized as an essential standpoint to understand and control the physics of condensed matter. This concept may be spreading even into application areas such as novel electronics. In this trend, there has been reported a number of studies for oxide films and heterostructures with topologically non-trivial electronic or magnetic states. In this review, we overview the trends of new topological properties and functionalities in oxide materials by sorting out a number of examples. The technological advances in oxide film growth achieved over the last few decades are now opening the door for harnessing novel topological properties.

Properties of protective oxide scales containing cerium on Incoloy 800H in oxidizing and sulfidizing environments. I. Constant-extension-rate study of mechanical properties

NARCIS (Netherlands)

Haanappel, V.A.C.; Fransen, T.; Geerdink, Bert; Gellings, P.J.

1988-01-01

The mechanical properties of ceramic coatings containing cerium oxide, prepared by the sol-gel method and used to protect Incoloy 800H against aggressive environments, are reported. Deformation and cracking behavior in oxidizing and sulfidizing environments has been investigated by

Nanostructured energetic materials derived from sol-gel chemistry

International Nuclear Information System (INIS)

Simpson, R L; Tillotson, T M; Hrubesh, L W; Gash, A E

2000-01-01

Initiation and detonation properties are dramatically affected by an energetic material's microstructural properties. Sol-gel chemistry allows intimacy of mixing to be controlled and dramatically improved over existing methodologies. One material goal is to create very high power energetic materials which also have high energy densities. Using sol-gel chemistry we have made a nanostructured composite energetic material. Here a solid skeleton of fuel, based on resorcinol-formaldehyde, has nanocrystalline ammonium perchlorate, the oxidizer, trapped within its pores. At optimum stoichiometry it has approximately the energy density of HMX. Transmission electron microscopy indicated no ammonium perchlorate crystallites larger than 20 nm while near-edge soft x-ray absorption microscopy showed that nitrogen was uniformly distributed, at least on the scale of less than 80 nm. Small-angle neutron scattering studies were conducted on the material. Those results were consistent with historical ones for this class of nanostructured materials. The average skeletal primary particle size was on the order of 2.7 nm, while the nanocomposite showed the growth of small 1 nm size crystals of ammonium perchlorate with some clustering to form particles greater than 10 nm

A short textbook of colloid chemistry

CERN Document Server

Jirgensons, B

1962-01-01

A Short Textbook of Colloid Chemistry, Second Revised Edition details the factual aspect of colloid chemistry that includes the basic facts, established empirical and mathematical relationships, and practical applications. The chapters of the title are organized into two parts. In the first part, the text discusses the general concepts of colloid chemistry, such as the history and scope, basic terms, and basic methods in experiment with colloids. Part Two covers the technical aspect of colloid chemistry, such as the optical properties, electrical properties, and viscosity. The book will be of

Effects of wood fiber surface chemistry on strength of wood–plastic composites

Energy Technology Data Exchange (ETDEWEB)

Migneault, Sébastien, E-mail: sebastien.migneault@uqat.ca [University of Quebec in Abitibi-Temiscamingue (UQAT), 445 boulevard de l’Université, Rouyn-Noranda, Québec J9X 5E4 (Canada); Koubaa, Ahmed, E-mail: ahmed.koubaa@uqat.ca [UQAT (Canada); Perré, Patrick, E-mail: patrick.perre@ecp.fr [École centrale de Paris, Grande Voie des Vignes, F-92 295 Chatenay-Malabry Cedex (France); Riedl, Bernard, E-mail: Bernard.Riedl@sbf.ulaval.ca [Université Laval, 2425 rue de la Terrasse, Québec City, Québec G1V 0A6 (Canada)

2015-07-15

Highlights: • Infrared spectroscopy and X-ray photoelectron spectroscopy analyses showed variations of surface chemical characteristics according to fiber origin. • Surface chemical characteristics of fibers could partly explain the differences in mechanical properties of the wood–plastic composites. • Fibers with carbohydrate rich surface led to stronger wood–plastic composites because the coupling between the matrix and fibers using coupling agent is achieved with polar sites mostly available on carbohydrates. • Conversely, lignin or extractives rich surface do not have oxidized functions for the esterification reaction with coupling agent and thus led to wood–plastic composites with lower mechanical properties. • Other factors such as mechanical interlocking and fiber morphology interfere with the effects of fiber surface chemistry. - Abstract: Because wood–plastic composites (WPC) strength relies on fiber-matrix interaction at fiber surface, it is likely that fiber surface chemistry plays an important role in WPC strength development. The objective of the present study is to investigate the relationships between fiber surface chemical characteristics and WPC mechanical properties. Different fibers were selected and characterized for surface chemical characteristics using X-ray photoelectron spectroscopy (XPS) and infrared spectroscopy (FTIR). WPC samples were manufactured at 40% fiber content and with six different fibers. High density polyethylene was used as matrix and maleated polyethylene (MAPE) was used as compatibility agent. WPC samples were tested for mechanical properties and fiber-matrix interface was observed with scanning electron microscope. It was found WPC strength decreases as the amount of unoxidized carbon (assigned to lignin and extractives) measured with XPS on fiber surface increases. In the opposite case, WPC strength increases with increasing level of oxidized carbon (assigned to carbohydrates) on fiber surface. The same

Effects of wood fiber surface chemistry on strength of wood–plastic composites

International Nuclear Information System (INIS)

Migneault, Sébastien; Koubaa, Ahmed; Perré, Patrick; Riedl, Bernard

2015-01-01

Highlights: • Infrared spectroscopy and X-ray photoelectron spectroscopy analyses showed variations of surface chemical characteristics according to fiber origin. • Surface chemical characteristics of fibers could partly explain the differences in mechanical properties of the wood–plastic composites. • Fibers with carbohydrate rich surface led to stronger wood–plastic composites because the coupling between the matrix and fibers using coupling agent is achieved with polar sites mostly available on carbohydrates. • Conversely, lignin or extractives rich surface do not have oxidized functions for the esterification reaction with coupling agent and thus led to wood–plastic composites with lower mechanical properties. • Other factors such as mechanical interlocking and fiber morphology interfere with the effects of fiber surface chemistry. - Abstract: Because wood–plastic composites (WPC) strength relies on fiber-matrix interaction at fiber surface, it is likely that fiber surface chemistry plays an important role in WPC strength development. The objective of the present study is to investigate the relationships between fiber surface chemical characteristics and WPC mechanical properties. Different fibers were selected and characterized for surface chemical characteristics using X-ray photoelectron spectroscopy (XPS) and infrared spectroscopy (FTIR). WPC samples were manufactured at 40% fiber content and with six different fibers. High density polyethylene was used as matrix and maleated polyethylene (MAPE) was used as compatibility agent. WPC samples were tested for mechanical properties and fiber-matrix interface was observed with scanning electron microscope. It was found WPC strength decreases as the amount of unoxidized carbon (assigned to lignin and extractives) measured with XPS on fiber surface increases. In the opposite case, WPC strength increases with increasing level of oxidized carbon (assigned to carbohydrates) on fiber surface. The same

Electron donating and acid-base properties of cerium oxide and its mixed oxides with alumina

International Nuclear Information System (INIS)

Sugunan, S.; Jalaja, J.M.

1994-01-01

The electron donating properties of cerium oxide activated at 300, 500 and 800 degC and of its mixed oxides with alumina were examined based on the adsorption of electron acceptors exhibiting different electron affinities. The surface acidity/basicity of the oxides was determined by titrimetry; the H 0,max values are given. The limit of electron transfer from the oxide surface lies within the region of 1.77 and 2.40 eV in terms of the electron affinity of the electron acceptor. Cerium oxide promotes the electron donor nature of alumina while leaving the limit of electron transfer unchanged. 2 tabs., 4 figs., 13 refs

Phosphorene Oxide: Stability and electronic properties of a novel 2D material

OpenAIRE

Wang, Gaoxue; Pandey, Ravindra; Karna, Shashi P.

2014-01-01

Phosphorene, the monolayer form of the (black) phosphorus, was recently exfoliated from its bulk counterpart. Phosphorene oxide, by analogy to graphene oxide, is expected to have novel chemical and electronic properties, and may provide an alternative route to synthesis of phosphorene. In this letter, we investigate physical and chemical properties of the phosphorene oxide including its formation by the oxygen adsorption on the bare phosphorene. Analysis of the phonon dispersion curves finds ...

Mercury oxidation from bromine chemistry in the free troposphere over the southeastern US

Directory of Open Access Journals (Sweden)

S. Coburn

2016-03-01

Full Text Available The elevated deposition of atmospheric mercury over the southeastern United States is currently not well understood. Here we measure partial columns and vertical profiles of bromine monoxide (BrO radicals, a key component of mercury oxidation chemistry, to better understand the processes and altitudes at which mercury is being oxidized in the atmosphere. We use data from a ground-based MAX-DOAS instrument located at a coastal site ∼  1 km from the Gulf of Mexico in Gulf Breeze, FL, where we had previously detected tropospheric BrO (Coburn et al., 2011. Our profile retrieval assimilates information about stratospheric BrO from the WACCM chemical transport model (CTM, and uses only measurements at moderately low solar zenith angles (SZAs to estimate the BrO slant column density contained in the reference spectrum (SCDRef. The approach has 2.6 degrees of freedom, and avoids spectroscopic complications that arise at high SZA; knowledge about SCDRef further helps to maximize sensitivity in the free troposphere (FT. A cloud-free case study day with low aerosol load (9 April 2010 provided optimal conditions for distinguishing marine boundary layer (MBL: 0–1 km and free-tropospheric (FT: 1–15 km BrO from the ground. The average daytime tropospheric BrO vertical column density (VCD of ∼  2.3  ×  1013 molec cm−2 (SZA  <  70° is consistent with our earlier reports on other days. The vertical profile locates essentially all tropospheric BrO above 4 km, and shows no evidence for BrO inside the MBL (detection limit  <  0.5 pptv. BrO increases to  ∼  3.5 pptv at 10–15 km altitude, consistent with recent aircraft observations. Our case study day is consistent with recent aircraft studies, in that the oxidation of gaseous elemental mercury (GEM by bromine radicals to form gaseous oxidized mercury (GOM is the dominant pathway for GEM oxidation throughout the troposphere above Gulf

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors

Nuclear chemistry

International Nuclear Information System (INIS)

Vertes, A.; Kiss, I.

1987-01-01

This book is an introduction to the application of nuclear science in modern chemistry. The first group of chapters discuss the basic phenomena and concepts of nuclear physics with emphasis on their relation to chemical problems, including the main properties and the composition of atomic nuclei, nuclear reactions, radioactive decay and interactions of radiation with matter. These chapters provide the basis for understanding the following chapters which encompass the wide scope of nuclear chemistry. The methods of the investigation of chemical structure based on the interaction of nuclear radiation with matter including positronium chemistry and other exotic atoms is elaborated in particular detail. Separate chapters are devoted to the use of radioactive tracers, the chemical consequences of nuclear processes (i.e. hot atom chemistry), radiation chemistry, isotope effects and their applications, and the operation of nuclear reactors. (Auth.)

Magnetic properties of partially oxidized Fe films

Science.gov (United States)

Garcia, Miguel Angel; Lopez-Dominguez, Victor; Hernando, Antonio

Hybrid magnetic nanostructures exhibit appealing properties due to interface and proximity effects. A simple and interesting system of hybrid magnetic nanomaterials are partially oxidized ferromagnetic films. We have fabricated Fe films by thermal evaporation and performed a partial oxidation to magnetite (Fe3O4) by annealing in air at different times and temperatures. The magnetic properties of the films evolve from those of pure metallic iron to pure magnetite, showing intermediate states where the proximity effects control the magnetic behavior. At some stages, the magnetization curves obtained by SQUID and MOKE magnetometry exhibit important differences due to the dissimilar contribution of both phases to the magneto-optical response of the system This work has been supported by the Ministerio Español de Economia y Competitividad (MINECO) MAT2013-48009-C4-1. V.L.D and M.A.G. acknowledges financial support from BBVA foundation.

Mechanical properties of melt-derived erbium oxide

International Nuclear Information System (INIS)

Neuman, A.D.; Blacic, M.J.; Platero, M.; Romero, R.S.; McClellan, K.J.; Petrovic, J.J.

1998-01-01

Erbium oxide (Er 2 O 3 ) is a rare earth oxide that is chemically and thermally stable and has a melting point of 2,430 C. There is relatively little information available regarding single crystal growth of erbia or the properties of erbia. In this study, erbia single crystals have been grown in a Xenon Optical Floating Zone Unit (XeOFZ) capable of melting materials at temperatures up to 3,000 C. Erbia was melt synthesized in the XeOFZ unit in a container less fashion, proving for little chance of contamination. Crystals were grown in compressed air and in reducing atmospheres. A recurring problem with melt synthesis of erbia is the appearance of flakes at the edges of the melt zone during growth; these flakes disrupt the growth process. The processing details and an initial survey of the physical properties of erbia single crystals is discussed

Unravelling the surface chemistry of metal oxide nanocrystals, the role of acids and bases.

Science.gov (United States)

De Roo, Jonathan; Van den Broeck, Freya; De Keukeleere, Katrien; Martins, José C; Van Driessche, Isabel; Hens, Zeger

2014-07-09

We synthesized HfO2 nanocrystals from HfCl4 using a surfactant-free solvothermal process in benzyl alcohol and found that the resulting nanocrystals could be transferred to nonpolar media using a mixture of carboxylic acids and amines. Using solution (1)H NMR, FTIR, and elemental analysis, we studied the details of the transfer reaction and the surface chemistry of the resulting sterically stabilized nanocrystals. As-synthesized nanocrystals are charge-stabilized by protons, with chloride acting as the counterion. Treatment with only carboxylic acids does not lead to any binding of ligands to the HfO2 surface. On the other hand, we find that the addition of amines provides the basic environment in which carboxylic acids can dissociate and replace chloride. This results in stable, aggregate-free dispersions of HfO2 nanocrystals, sterically stabilized by carboxylate ligands. Moreover, titrations with deuterated carboxylic acid show that the charge on the carboxylate ligands is balanced by coadsorbed protons. Hence, opposite from the X-type/nonstoichiometric nanocrystals picture prevailing in literature, one should look at HfO2/carboxylate nanocrystals as systems where carboxylic acids are dissociatively adsorbed to bind to the nanocrystals. Similar results were obtained with ZrO2 NCs. Since proton accommodation on the surface is most likely due to the high Brønsted basicity of oxygen, our model could be a more general picture for the surface chemistry of metal oxide nanocrystals with important consequences on the chemistry of ligand exchange reactions.

Successive change regularity of actinide properties with atomic number

International Nuclear Information System (INIS)

Yang Xuexian

1990-08-01

The development and achievements on chemistry of actinide elements are summarised. The relations of properties of actinides to their electronic configurations of valence electronic shells are discussed. Some anomalies of solid properties, the radius contraction, the stable state effect of f 7n -orbits (n = 0, 1, 2) and the tetrad effect of oxidation states, etc., with atomic number (Z) are described. 31 figures appended show directly the successive change regularity of actinide properties with Z

Graphene oxide-modified ZnO particles: synthesis, characterization, and antibacterial properties

Directory of Open Access Journals (Sweden)

Zhong LL

2015-08-01

Full Text Available Linlin Zhong, Kyusik Yun Department of Bionanotechnology, Gachon University, Gyeonggi-do, Republic of Korea Abstract: Nanosized ZnO particles with diameters of 15 nm were prepared with a solution precipitation method at low cost and high yield. The synthesis of the particles was functionalized by the organic solvent dimethylformamide, and the particles were covalently bonded to the surface of graphene oxide. The morphology of the graphene oxide sheets and ZnO particles was confirmed with field emission scanning electron microscopy and biological atomic force microscopy. Fourier transform infrared spectroscopy and X-ray diffraction were used to analyze the physical and chemical properties of the ZnO/graphene oxide composites that differed from those of the individual components. Enhanced electrochemical properties were detected with cyclic voltammetry, with a redox peak of the composites at 0.025 mV. Excellent antibacterial activity of ZnO/graphene oxide composites was observed with a microdilution method in which minimum inhibitory concentrations of 6.25 µg/mL for Escherichia coli and Salmonella typhimurium, 12.5 µg/mL for Bacillus subtilis, and 25 µg/mL for Enterococcus faecalis. After further study of the antibacterial mechanism, we concluded that a vast number of reactive oxygen species formed on the surface of composites, improving antibacterial properties. Keywords: graphene oxide, ZnO, characterization, antibacterial property

Role of oxidizing agent in the chemistry of in-situ uranium leaching

International Nuclear Information System (INIS)

Carlson, R.H.; Norris, R.D.; Schellinger, R.

1982-01-01

Synthetic two-component mixtures (uraninite and iron sulfide) as well as native uranium ores obtained from Texas and Wyoming have been examined. Physical/chemical ore properties are correlated with observed laboratory leach response. Data show a large inherent selectivity of oxidant for uranium in the early stages of a leach period. Uranium head grade was found to increase in a nearly linear fashion with hydrogen peroxide concentration in the leach solution. As uranium in the ore is depleted, uranium response decreases and the oxidant serves mainly to leach iron sulfide gangue material. 6 refs

Laboratory studies of stratospheric aerosol chemistry

Science.gov (United States)

Molina, Mario J.

1996-01-01

In this report we summarize the results of the two sets of projects funded by the NASA grant NAG2-632, namely investigations of various thermodynamic and nucleation properties of the aqueous acid system which makes up stratospheric aerosols, and measurements of reaction probabilities directly on ice aerosols with sizes corresponding to those of polar stratospheric cloud particles. The results of these investigations are of importance for the assessment of the potential stratospheric effects of future fleets of supersonic aircraft. In particular, the results permit to better estimate the effects of increased amounts of water vapor and nitric acid (which forms from nitrogen oxides) on polar stratospheric clouds and on the chemistry induced by these clouds.

Field-emission properties of transparent tungsten oxide nano-urchins

Energy Technology Data Exchange (ETDEWEB)

Kim, Do-Hyung [Kyungpook National University, Nano-applied Physics Laboratory, Department of Physics, Daegu (Korea, Republic of)

2012-09-15

The field-emission properties of transparent tungsten oxide nano-urchin (NU) films deposited on conducting glass substrates were examined. The novel crystalline tungsten oxide NUs consisted of nanowires added to a spherical shell. The WO{sub 2.72} NUs showed better field-emission properties than the WO{sub 3} NUs with a low turn-on field of approximately 5.8 V/{mu}m and a current density as high as 1.3 mA/cm{sup 2} at 7.2 V/mm. The WO{sub x} NUs films could be used in FE applications using a large-area glass substrate without the need for a catalyst and a mechanical rubbing or lift-up process. These results have implications for the enhancement of FE properties by further tuning the WO{sub x} phases. (orig.)

Rare earth oxide aero- and xerogels. Tuning porosity and catalytic properties

Energy Technology Data Exchange (ETDEWEB)

Neumann, Bjoern

2013-11-15

Heterogeneous catalysts to this day are still largely developed on the basis of trial and error. This is due to the great difficulty of creating custom-designed structures at the nanometer scale using traditional preparation methods. In the course of recent rapid developments in the material sciences, however, it has become possible to create materials with custom-designed properties from the macroscopic down into the nanometer range. The purpose of the present study was to make use of this potential for catalysis. The task was to modify the porosity and composition of selected rare earth oxides that promise well as catalysts with the goal of obtaining good results in terms of oxidative reactions and oxidative coupling. One major focus was on chemical sol-gel methods and in particular on what is referred to as the epoxide addition method. Extensive work was put into the characterisation and catalytic testing of aerogels and xerogels of pure rare earth oxides as well as of hybrid systems of rare earth oxides and aluminium oxide. Furthermore, thin xerogel films and macroporous monoliths were produced, the latter using a direct foaming method. The results of this work confirm the high potential of sol-gel chemistry for making porous materials of variable and controllable porosity and composition available for heterogeneous catalysis and creating more powerful catalysts. [German] Bis heute werden heterogene Katalysatoren ueberwiegend per ''trial and error'' entwickelt. Dies liegt daran, dass es mit Hilfe der traditionellen Herstellungsmethoden sehr schwierig ist, auf der Nanometerskala Strukturen gezielt herzustellen. Im Zuge der rasanten Entwicklungen in den Materialwissenschaften ist es jedoch moeglich geworden, verschiedenste Materialen mit massgeschneiderten Eigenschaften vom makroskopischen bis hinein in den Nanometerbereich herzustellen. Ziel dieser Arbeit war es, dieses Potential fuer die Katalyse zu nutzen. Dabei bestand die Aufgabe darin

Investigations of nitrogen oxide plasmas: Fundamental chemistry and surface reactivity and monitoring student perceptions in a general chemistry recitation

Science.gov (United States)

Blechle, Joshua M.

Part I of this dissertation focuses on investigations of nitrogen oxide plasma systems. With increasing concerns over the environmental presence of NxOy species, there is growing interest in utilizing plasma-assisted conversion techniques. Advances, however, have been limited because of the lack of knowledge regarding the fundamental chemistry of these plasma systems. Understanding the kinetics and thermodynamics of processes in these systems is vital to realizing their potential in a range of applications. Unraveling the complex chemical nature of these systems, however, presents numerous challenges. As such, this work serves as a foundational step in the diagnostics and assessment of these NxOy plasmas. The partitioning of energy within the plasma system is essential to unraveling these complications as it provides insight into both gas and surface reactivity. To obtain this information, techniques such as optical emission spectroscopy (OES), broadband absorption spectroscopy (BAS), and laser induced fluorescence (LIF) were utilized to determine species energetics (vibrational, rotational, translational temperatures). These temperature data provide mechanistic insight and establish the relationships between system parameters and energetic outcomes. Additionally, these data are also correlated to surface reactivity data collected with the Imaging of Radicals Interacting with Surfaces (IRIS) technique. IRIS data demonstrate the relationship between internal temperatures of radicals and their observed surface scatter coefficients (S), the latter of which is directly related to surface reactivity (R) [R = 1-S]. Furthermore, time-resolved (TR) spectroscopic techniques, specifically TR-OES, revealed kinetic trends in NO and N2 formation from a range of precursors (NO, N2O, N2/O2). By examining the rate constants associated with the generation and destruction of various plasma species we can investigate possible mechanistic implications. All told, such data provides

Incorporation of polydimethylsiloxane with reduced graphene oxide and zinc oxide for tensile and electrical properties

Science.gov (United States)

Danial, N. S.; Ramli, Muhammad. M.; Halin, D. S. C.; Hong, H. C.; Isa, S. Salwa M.; Abdullah, M. M. A. B.; Anhar, N. A. M.; Talip, L. F. A.; Mazlan, N. S.

2017-09-01

Polydimethylsiloxane (PDMS) is an organosilicon polymer that is commonly used to incorporate with other fillers. PDMS in high viscous liquid form is mechanically stirred with reduced graphene oxide (rGO) and mixed with zinc oxide (ZnO) with specific ratio, thus rendering into two types of samples. The mechanical and electrical properties of both samples are characterized. The result shows that PDMS sample with 50 mg rGO has the highest tensile strength with the value of 9.1 MPa. For electrical properties, sample with the lowest resistance is PDMS with 50 mg rGO and ZnO with the value of l.67×l05 Ω. This experiment shows the significant role of conductive fillers like rGO and ZnO incorporated in polymeric material such as PDMS to improve its electrical properties.

Ni-doped (CeO{sub 2−δ})–YSZ mesoarchitectured with nanocrystalline framework: the effect of thermal treatment on structure, surface chemistry and catalytic properties in the partial oxidation of methane (CPOM)

Energy Technology Data Exchange (ETDEWEB)

Somacescu, Simona, E-mail: ssimona@icf.ro [Romanian Academy, “Ilie Murgulescu” Institute of Physical Chemistry (Romania); Florea, Mihaela [University of Bucharest, Department of Organic Chemistry, Biochemistry and Catalysis, Faculty of Chemistry (Romania); Osiceanu, Petre; Calderon-Moreno, Jose Maria [Romanian Academy, “Ilie Murgulescu” Institute of Physical Chemistry (Romania); Ghica, Corneliu [National Institute of Materials Physics (Romania); Serra, Jose Manuel [Universidad Politécnica de Valencia - Consejo Superior de Investigaciones Científicas, Instituto de Tecnología Química (Spain)

2015-11-15

Ni-doped (CeO{sub 2−δ})–YSZ (5 mol% Ni oxide, 10 mol% ceria) mesoarchitectures (MA) with nanocrystalline framework have been synthesized by an original, facile and cheap approach based on Triton X100 nonionic surfactant as template and water as solvent at a strong basic pH value. Following the hydrothermal treatment under autogenous pressure (∼18 bars), Ni, Ce, Y, and Zr were well ordered as MA with nanocrystalline framework, assuring thermal stability. A comprehensive investigation of structure, texture, morphology, and surface chemistry was performed by means of a variety of complementary techniques (X-Ray Diffraction, XRD; Raman Spectroscopy, RS; Brunauer—Emmett—Teller, BET; Temperature—Programmed Reduction, TPR; Transmission Electron Microscopy, TEM and DF-STEM; X-ray Photoelectron Spectroscopy, XPS; Catalytic activity and selectivity). N{sub 2} sorption measurements highlighted that the mesoporous structure is formed at 600 °C and remains stable at 800 °C. At 900 °C, the MA collapses, favoring the formation of macropores. The XRD and Raman Spectroscopy of all samples showed the presence of a pure, single phase with fluorite-type structure. At 900 °C, an increased tetragonal distortion of the cubic lattice was observed. The surface chemistry probed by XPS exhibits a mixture of oxidation states (Ce{sup 3+} + Ce{sup 4+}) with high percentage of Ce{sup 3+} valence state ∼35 % and (Ni{sup 3+} and Ni{sup 2+}) oxidation states induced by the thermal treatment. These nanoparticles assembled into MA show high stability and selectivity over time in catalytic partial oxidation of methane (CPOM). These promising performances suggest an interesting prospect for introduction as anode within IT-SOFC assemblies.Graphical Abstract.

The influence of oxidation properties on the electron emission characteristics of porous silicon

International Nuclear Information System (INIS)

He, Li; Zhang, Xiaoning; Wang, Wenjiang; Wei, Haicheng

2016-01-01

Highlights: • Evaluated the oxidation properties of porous silicon from semi-quantitative methods. • Discovered the relationship between oxidation properties and emission characteristics. • Revealed the micro-essence of the electron emission of the porous silicon. - Abstract: In order to investigate the influence of oxidation properties such as oxygen content and its distribution gradient on the electron emission characteristics of porous silicon (PS) emitters, emitters with PS thickness of 8 μm, 5 μm, and 3 μm were prepared and then oxidized by electrochemical oxidation (ECO) and ECO-RTO (rapid thermal oxidation) to get different oxidation properties. The experimental results indicated that the emission current density, efficiency, and stability of the PS emitters are mainly determined by oxidation properties. The higher oxygen content and the smaller oxygen distribution gradient in the PS layer, the larger emission current density and efficiency we noted. The most favorable results occurred for the PS emitter with the smallest oxygen distribution gradient and the highest level of oxygen content, with an emission current density of 212.25 μA/cm"2 and efficiency of 59.21‰. Additionally, it also demonstrates that thick PS layer benefits to the emission stability due to its longer electron acceleration tunnel. The FN fitting plots indicated that the effective emission areas of PS emitters can be enlarged and electron emission thresholds is decreased because of the higher oxygen content and smaller distribution gradient, which were approved by the optical micrographs of top electrode of PS emitters before and after electron emission.

The influence of oxidation properties on the electron emission characteristics of porous silicon

Energy Technology Data Exchange (ETDEWEB)

He, Li [Key Laboratory of Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Zhang, Xiaoning, E-mail: znn@mail.xjtu.edu.cn [Key Laboratory of Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Wang, Wenjiang [Key Laboratory of Physical Electronics and Devices of the Ministry of Education, Xi’an Jiaotong University, Xi’an 710049 (China); Wei, Haicheng [School of Electrical and Information Engineering, Beifang University of Nationalities, Yinchuan750021 (China)

2016-09-30

Highlights: • Evaluated the oxidation properties of porous silicon from semi-quantitative methods. • Discovered the relationship between oxidation properties and emission characteristics. • Revealed the micro-essence of the electron emission of the porous silicon. - Abstract: In order to investigate the influence of oxidation properties such as oxygen content and its distribution gradient on the electron emission characteristics of porous silicon (PS) emitters, emitters with PS thickness of 8 μm, 5 μm, and 3 μm were prepared and then oxidized by electrochemical oxidation (ECO) and ECO-RTO (rapid thermal oxidation) to get different oxidation properties. The experimental results indicated that the emission current density, efficiency, and stability of the PS emitters are mainly determined by oxidation properties. The higher oxygen content and the smaller oxygen distribution gradient in the PS layer, the larger emission current density and efficiency we noted. The most favorable results occurred for the PS emitter with the smallest oxygen distribution gradient and the highest level of oxygen content, with an emission current density of 212.25 μA/cm{sup 2} and efficiency of 59.21‰. Additionally, it also demonstrates that thick PS layer benefits to the emission stability due to its longer electron acceleration tunnel. The FN fitting plots indicated that the effective emission areas of PS emitters can be enlarged and electron emission thresholds is decreased because of the higher oxygen content and smaller distribution gradient, which were approved by the optical micrographs of top electrode of PS emitters before and after electron emission.

Polysubstituted 4,6-bis(hetero)arylpyrimidines as dual inhibitors of nitric oxide and prostaglandin E-2 production

Czech Academy of Sciences Publication Activity Database

Kolman, Viktor; Jansa, Petr; Kalčic, Filip; Janeba, Zlatko; Zídek, Zdeněk

2017-01-01

Roč. 67, Jul 1 (2017), s. 53-57 ISSN 1089-8603 R&D Projects: GA TA ČR(CZ) TE01020028 Institutional support: RVO:61388963 ; RVO:68378041 Keywords : pyrimidine derivatives * nitric oxide * prostaglandin E-2 * dual inhibitors * anti-inflammatory properties Subject RIV: CE - Biochemistry; CC - Organic Chemistry (UEM-P) OBOR OECD: Biochemistry and molecular biology; Organic chemistry (UEM-P) Impact factor: 4.181, year: 2016

Conference 'Chemistry of hydrides' Proceedings

International Nuclear Information System (INIS)

1991-07-01

This collection of thesis of conference of Chemistry hydrides presents the results of investigations concerning of base questions of chemistry of nonorganic hydrides, including synthesis questions, studying of physical and chemical properties, thermodynamics, analytical chemistry, investigation of structure, equilibriums in the systems of metal-hydrogen, behaviour of nonorganic hydrides in non-water mediums and applying investigations in the chemistry area and technology of nonorganic hydrides

Optical properties of tetrapod nanostructured zinc oxide by chemical ...

African Journals Online (AJOL)

... deposited onto indium tin oxide (ITO) coated glass substrate by thermal chemical vapor deposition (TCVD) technique. This work studies the effects of annealing temperature ranging from 100–500 ºC towards its physical and optical properties. FESEM images showed that the structural properties of tetrapod nanostructured ...

Laboratory Studies of the Reactive Chemistry and Changing CCN Properties of Secondary Organic Aerosol, Including Model Development

Energy Technology Data Exchange (ETDEWEB)

Scot Martin

2013-01-31

The chemical evolution of secondary-organic-aerosol (SOA) particles and how this evolution alters their cloud-nucleating properties were studied. Simplified forms of full Koehler theory were targeted, specifically forms that contain only those aspects essential to describing the laboratory observations, because of the requirement to minimize computational burden for use in integrated climate and chemistry models. The associated data analysis and interpretation have therefore focused on model development in the framework of modified kappa-Koehler theory. Kappa is a single parameter describing effective hygroscopicity, grouping together several separate physicochemical parameters (e.g., molar volume, surface tension, and van't Hoff factor) that otherwise must be tracked and evaluated in an iterative full-Koehler equation in a large-scale model. A major finding of the project was that secondary organic materials produced by the oxidation of a range of biogenic volatile organic compounds for diverse conditions have kappa values bracketed in the range of 0.10 +/- 0.05. In these same experiments, somewhat incongruently there was significant chemical variation in the secondary organic material, especially oxidation state, as was indicated by changes in the particle mass spectra. Taken together, these findings then support the use of kappa as a simplified yet accurate general parameter to represent the CCN activation of secondary organic material in large-scale atmospheric and climate models, thereby greatly reducing the computational burden while simultaneously including the most recent mechanistic findings of laboratory studies.

Hot functional test chemistry - long term experience

International Nuclear Information System (INIS)

Vonkova, K.; Kysela, J.; Marcinsky, M.; Martykan, M.

2010-01-01

Primary circuit materials undergo general corrosion in high temperature, deoxygenated, neutral or mildly alkaline solutions to form thin oxide films. These oxide layers (films) serve as protective film and mitigate the further corrosion of primary materials. Inner chromium-rich oxide layer has low cation diffusion coefficients and thus control iron and nickel transport from the metal surface to the outer layer and their dissolution into the coolant. Much less corrosion products are generated by the compact, integral and stable oxide (passivation) layer. For the latest Czech and Slovak stations commissioned (Temelin and Mochovce) a modified Hot Functional Test (HFT) chemistry was developed in the NRI Rez. Chromium rich surface layer formatted due to modified HTF chemistry ensures lower corrosion rates and radiation field formation and thus also mitigates crud formation during operation. This procedure was also designed to prepare the commissioned unit for the further proper water chemistry practise. Mochovce 1 (SK) was the first station commissioned using these recommendations in 1998. Mochovce 2 (1999) and Temelin 1 and 2 (CZ - 2000 and 2002) were subsequently commissioned using these guidelines too. The main principles of the controlled primary water chemistry applied during the hot functional tests are reviewed and importance of the water chemistry, technological and other relevant parameters is stressed regarding to the quality of the passive layer formed on the primary system surfaces. Samples from Mochovce indicated that duplex oxide layers up to 20 μm thick were produced, which were mainly magnetite substituted with nickel and chromium (e.g. 60-65% Fe, 18-28% Cr, 9-12% Ni, <1% Mn and 1-2% Si on a stainless steel primary circuit sample). Long term operation experience from both nuclear power plants are discussed in this paper. Radiation field, occupational radiation exposure and corrosion layers evolution during the first c. ten years of operation are

Non-OH chemistry in oxidation flow reactors for the study of atmospheric chemistry systematically examined by modeling

Directory of Open Access Journals (Sweden)

Z. Peng

2016-04-01

Full Text Available Oxidation flow reactors (OFRs using low-pressure Hg lamp emission at 185 and 254 nm produce OH radicals efficiently and are widely used in atmospheric chemistry and other fields. However, knowledge of detailed OFR chemistry is limited, allowing speculation in the literature about whether some non-OH reactants, including several not relevant for tropospheric chemistry, may play an important role in these OFRs. These non-OH reactants are UV radiation, O(1D, O(3P, and O3. In this study, we investigate the relative importance of other reactants to OH for the fate of reactant species in OFR under a wide range of conditions via box modeling. The relative importance of non-OH species is less sensitive to UV light intensity than to water vapor mixing ratio (H2O and external OH reactivity (OHRext, as both non-OH reactants and OH scale roughly proportionally to UV intensity. We show that for field studies in forested regions and also the urban area of Los Angeles, reactants of atmospheric interest are predominantly consumed by OH. We find that O(1D, O(3P, and O3 have relative contributions to volatile organic compound (VOC consumption that are similar or lower than in the troposphere. The impact of O atoms can be neglected under most conditions in both OFR and troposphere. We define “riskier OFR conditions” as those with either low H2O (< 0.1 % or high OHRext ( ≥  100 s−1 in OFR185 and > 200 s−1 in OFR254. We strongly suggest avoiding such conditions as the importance of non-OH reactants can be substantial for the most sensitive species, although OH may still dominate under some riskier conditions, depending on the species present. Photolysis at non-tropospheric wavelengths (185 and 254 nm may play a significant (> 20 % role in the degradation of some aromatics, as well as some oxidation intermediates, under riskier reactor conditions, if the quantum yields are high. Under riskier conditions, some biogenics can have

Using Graphs of Gibbs Energy versus Temperature in General Chemistry Discussions of Phase Changes and Colligative Properties

Science.gov (United States)

Hanson, Robert M.; Riley, Patrick; Schwinefus, Jeff; Fischer, Paul J.

2008-01-01

The use of qualitative graphs of Gibbs energy versus temperature is described in the context of chemical demonstrations involving phase changes and colligative properties at the general chemistry level. (Contains 5 figures and 1 note.)

Magnetic and structural properties of yellow europium oxide compound and Eu(OH)3

International Nuclear Information System (INIS)

Lee, Dongwook; Seo, Jiwon; Valladares, Luis de los Santos; Avalos Quispe, O.; Barnes, Crispin H.W.

2015-01-01

A new material based on a yellow europium oxide compound was prepared from europium oxide in a high vacuum environment. The structural and magnetic properties of the material were investigated. Owing to the absence of a crystal structure, the material exhibited a disordered magnetic behavior. In a reaction with deionized (DI) water without applied heat, the compound assumed a white color as soon as the DI water reached the powder, and the structure became polycrystalline Eu(OH) 3 . The magnetic properties, such as the thermal hysteresis, disappeared after the reaction with DI water, and the magnetic susceptibility of the yellow oxide compound weakened. The magnetic properties of Eu(OH) 3 were also examined. Although Eu 3+ is present in Eu(OH) 3 , a high magnetic moment due to the crystal field effect was observed. - Graphical abstract: (top left) Optical image of the yellow europium oxide compound. (top right) Optical image of the product of DI water and yellow europium oxide. (bottom) Magnetization curves as a function of temperature measured in various magnetic field. - Highlights: • We prepared a new material based on a yellow europium oxide compound from europium oxide. • We characterized the magnetic properties of the material which exhibits a disordered magnetic behavior such as thermal hysteresis. • The compound turned white (Eu(OH) 3 ) as soon as the DI water reached the powder. • The thermal hysteresis disappeared after the reaction with DI water and the magnetic susceptibility of the yellow oxide compound weakened

Impact of isoprene and nitrogen oxides on O3 chemistry at the local and the regional scale : the ESCOMPTE experiment

Science.gov (United States)

Cortinovis, J.; Solmon, F.; Personne, E.; Serça, D.; Rosset, R.

2003-04-01

Concentrations of nitrogen oxides (NOx = NO+NO2) and volatile organic compounds (VOCs) play a crucial role in the atmospheric chemistry through the production-destruction of tropospheric O3. In rural areas, NOx concentrations are much lower than in urban areas, whereas VOCs emissions can be relatively high. This is due to a relative longer residence time of VOCs, and to the substantial contribution of Biogenic VOCs (BVOCs) representing more than 85% of all the VOCs emitted at the Earth surface (half of it being isoprene). For these reasons, O3 production in rural areas is most of the time NOx-limited. Taking into account biogenic emissions of isoprene in global scale atmospheric chemistry modeling adds from 10 to 40% to the ozone produced when compared to the same simulation without isoprene. This suggests that BVOCs and NOx emissions must be accounted for in models of atmospheric pollution forecasting at local and regional scales. In this study, we present a sensitivity analysis on the impact of the isoprene and nitrogen oxides emissions at the local and the regional scale. This study is done from data collected during the ESCOMPTE campaign which took place in June and July 2001 in the Marseille region (Southwest France) characterized by both strong natural and anthropogenic sources of trace gases. Isoprene emission experimental data from a Quercus Pubescens Mediterranean forest are used to constrain the 1Dz Soil-Vegetation-Atmospheric-Transfer ISBA model. This SVAT is used in the 3D MESO-NH-Chemistry model to simulate scenarios of pollution at the regional scale including the measured biogenic source for isoprene, and GENEMIS anthropogenic sources for other trace gases. To focus on the chemistry aspect of these simulations, the atmospheric dynamics are set to an "ideal" configuration. We have investigated the impact of the relative position and distance between the biogenic and anthropogenic sources on the O3 budget. According to this, and to the intensity of the

Molybdenum: the element and aqueous solution chemistry

International Nuclear Information System (INIS)

Sykes, A.G.

1987-01-01

This chapter on the chemistry of the coordination compounds of molybdenum concentrates on the element itself, its recovery from ores and its use in the manufacture of steels. Most of the chapter is devoted to the aqueous solution chemistry of molybdenum in oxidation states II, III and IV. (UK)

Chemistry at the dirac point of graphene

Science.gov (United States)

Sarkar, Santanu

Graphene holds great potential as an electronic material because of its excellent transport properties, which derive from its unique Fermi surface and ballistic conductance. It exhibits extremely high mobility [~250,000 cm*2/(V*s)]. Despite its extraordinary properties, the absence of a band-gap in graphene makes it unsuitable for its use as an active element in conventional field effect transistors (FETs). Another problem with pristine graphene is its lack of solution processability, which inhibits it applications in numerous fields such as printed electronics, transparent conductors, nano-biodevices, and thin film technologies involving fuel cells, capacitors and solar cells. My thesis is focused on addressing theses issue by application of covalent chemistry on graphene. We have applied the Kolbe electro-oxidation strategy to achieve an efficient quasi-reversible electrochemical grafting of the naphthylmethyl radicals to graphene. The method facilitates reversible bandgap engineering in graphene and preparation of electrochemically erasable organic dielectric films. We have discovered that the zero-band-gap electronic structure of graphene enables it to function as either the diene or the dienophile in the Diels-Alder (DA) reaction, and this versatile synthetic method offers a powerful strategy for the reversible modification of the electronic properties of graphene under very mild conditions. We show that the application of the Diels-Alder (DA) chemistry to graphene, which is capable of simultaneous formation of a pair of sp3-carbon centers (balanced divacancies) in graphene, can selectively produce DA-modified graphene FET devices with mobility between 1,000-6,000 cm2V-1s-1 (with a variable range hopping transport mechanism). Most of the covalent chemistry applied on graphene leads to the change in hybridization of graphene sp2 carbon to sp3 (destructive hybridization) and the FET devices based on such covalently modified graphene shows a drastic reduction of

Computational chemistry

Science.gov (United States)

Arnold, J. O.

1987-01-01

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

Tailoring the Electrochemical Properties of Carbon Nanotube Modified Indium Tin Oxide via in Situ Grafting of Aryl Diazonium.

Science.gov (United States)

Hicks, Jacqueline M; Wong, Zhi Yi; Scurr, David J; Silman, Nigel; Jackson, Simon K; Mendes, Paula M; Aylott, Jonathan W; Rawson, Frankie J

2017-05-23

Our ability to tailor the electronic properties of surfaces by nanomodification is paramount for various applications, including development of sensing, fuel cell, and solar technologies. Moreover, in order to improve the rational design of conducting surfaces, an improved understanding of structure/function relationships of nanomodifications and effect they have on the underlying electronic properties is required. Herein, we report on the tuning and optimization of the electrochemical properties of indium tin oxide (ITO) functionalized with single-walled carbon nanotubes (SWCNTs). This was achieved by controlling in situ grafting of aryl amine diazonium films on the nanoscale which were used to covalently tether SWCNTs. The structure/function relationship of these nanomodifications on the electronic properties of ITO was elucidated via time-of-flight secondary ion mass spectrometry and electrochemical and physical characterization techniques which has led to new mechanistic insights into the in situ grafting of diazonium. We discovered that the connecting bond is a nitro group which is covalently linked to a carbon on the aryl amine. The increased understanding of the surface chemistry gained through these studies enabled us to fabricate surfaces with optimized electron transfer kinetics. The knowledge gained from these studies allows for the rational design and tuning of the electronic properties of ITO-based conducting surfaces important for development of various electronic applications.

Chemistry of the actinide elements. Second edition

International Nuclear Information System (INIS)

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

1987-01-01

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

Experimental investigation and thermodynamic simulation of the uranium oxide-zirconium oxide-iron oxide system in air

Czech Academy of Sciences Publication Activity Database

Petrov, Y. B.; Udalov, Y. P.; Šubrt, Jan; Bakardjieva, Snejana; Sázavský, P.; Kiselová, M.; Selucký, P.; Bezdička, Petr; Joumeau, C.; Piluso, P.

2011-01-01

Roč. 37, č. 2 (2011), s. 212-229 ISSN 1087-6596 Institutional research plan: CEZ:AV0Z40320502 Keywords : uranium oxide * zirconium oxide * iron oxide * fusibility curve * oxygen partial pressure * crystallization * phase composition Subject RIV: CA - Inorganic Chemistry Impact factor: 0.492, year: 2011

Phosphorene oxide: stability and electronic properties of a novel two-dimensional material.

Science.gov (United States)

Wang, Gaoxue; Pandey, Ravindra; Karna, Shashi P

2015-01-14

Phosphorene, the monolayer form of (black) phosphorus, was recently exfoliated from its bulk counterpart. Phosphorene oxide, by analogy to graphene oxide, is expected to have novel chemical and electronic properties, and may provide an alternative route to the synthesis of phosphorene. In this research, the physical and chemical properties of phosphorene oxide including its formation by oxygen adsorption on the bare phosphorene was investigated. Analysis of the phonon dispersion curves finds stoichiometric and non-stoichiometric oxide configurations to be stable at ambient conditions, thus suggesting that the oxygen adsorption may not degrade the phosphorene. The nature of the band gap of the oxides depends on the degree of functionalization of phosphorene; an indirect gap is predicted for the non-stoichiometric configurations, whereas a direct gap is predicted for the stoichiometric oxide. Application of mechanical strain or an external electric field leads to tunability of the band gap of the phosphorene oxide. In contrast to the case of the bare phosphorene, dependence of the diode-like asymmetric current-voltage response on the degree of stoichiometry is predicted for the phosphorene oxide.

Reaction chemistry of cerium

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-01-01

It is truly ironic that a synthetic organic chemist likely has far greater knowledge of the reaction chemistry of cerium(IV) than an inorganic colleague. Cerium(IV) reagents have long since been employed as oxidants in effecting a wide variety of organic transformations. Conversely, prior to the late 1980s, the number of well characterized cerium(IV) complexes did not extend past a handful of known species. Though in many other areas, interest in the molecular chemistry of the 4f-elements has undergone an explosive growth over the last twenty years, the chemistry of cerium(IV) has for the most part been overlooked. This report describes reactions of cerium complexes and structure.

Intermolecular potential energy surface and thermophysical properties of ethylene oxide.

Science.gov (United States)

Crusius, Johann-Philipp; Hellmann, Robert; Hassel, Egon; Bich, Eckard

2014-10-28

A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C2H4O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide.

Graphene Oxide flakes: methods and techniques for properties at interfaces

OpenAIRE

Paola, Zuppella; Sara, Zuccon; Marco, Nardello; Jody, Corso Alain; Simone, Silvestrini; Michele, Maggini; Guglielmina, Pelizzo Maria

2014-01-01

Graphene Oxide and reduced Graphene Oxide are intriguing materials for photonics and electronic devices both for intrinsic characteristics and as precursors for the synthesis of graphene. Whatever the application and the engineering purpose, a fine control of the chemical and physical properties is required since the performances of graphene based systems depend on the reduction state of Graphene Oxide and can be strongly affected by interfaces interactions and neighboring effects. Then, a me...

Study on IR Properties of Reduced Graphene Oxide

Science.gov (United States)

Ma, Deyue; Li, Xiaoxia; Guo, Yuxiang; Zeng, Yurun

2018-01-01

Firstly, the reduced graphene oxide was prepared by modified hummer method and characterized. Then, the complex refractive index of reduced graphene oxide in IR band was tested and its IR absorption and radiation properties were researched by correlated calculation. The results show that reduced graphene oxide prepared by hummer method are multilayered graphene with defects and functional groups on its surface. Its absorption in near and far IR bands is strong, but it’s weaker in middle IR band. At the IR atmosphere Window, its normal spectral emissivity decreases with wavelength increasing, and its total normal spectral emissivity in 3 ∼ 5μm and 8 ∼ 14μm are 0.75 and 0.625, respectively. Therefore, reduced graphene oxide can be used as IR absorption and coating materials and have a great potential in microwave and infrared compatible materials.

The chemistry of the actinide elements. Volume I

International Nuclear Information System (INIS)

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

1986-01-01

The Chemistry of the Actinide Elements is a comprehensive, contemporary and authoritative exposition of the chemistry and related properties of the 5f series of elements: actinium, thorium, protactinium, uranium and the first eleven. This second edition has been completely restructured and rewritten to incorporate current research in all areas of actinide chemistry and chemical physics. The descriptions of each element include accounts of their history, separation, metallurgy, solid-state chemistry, solution chemistry, thermo-dynamics and kinetics. Additionally, separate chapters on spectroscopy, magnetochemistry, thermodynamics, solids, the metallic state, complex ions and organometallic compounds emphasize the comparative chemistry and unique properties of the actinide series of elements. Comprehensive lists of properties of all actinide compounds and ions in solution are given, and there are special sections on such topics as biochemistry, superconductivity, radioisotope safety, and waste management, as well as discussion of the transactinides and future elements

Influence of Graphene Oxide on the Tribological and Electrical Properties of PMMA Composites

Directory of Open Access Journals (Sweden)

Jiale Song

2013-01-01

Full Text Available The graphene oxide (GO was obtained by Hummers' method using natural graphite as raw materials. Then, the GO/poly(methyl methacrylate (PMMA nanocomposites were prepared by in situ polymerization. The tribological and electrical properties of nanocomposites were studied. As a result, the frictional coefficient of GO/PMMA nanocomposites was prominently improved with the content of the graphene oxide increasing. The electrical properties of nanocomposites were slightly increased when adding the graphene oxide.

SnSe Nanocrystals: Synthesis, Structure, Optical Properties, and Surface Chemistry

KAUST Repository

Baumgardner, William J.; Choi, Joshua J.; Lim, Yee-Fun; Hanrath, Tobias

2010-01-01

The colloidal synthesis of SnSe nanoparticles is accomplished through the injection of bis[bis(trimethylsilyl)amino]tin(II) into hot trioctylphosphine: selenium in the presence of oleylamine. Through the manipulation of reaction temperature particles are grown with the average diameter reliably tuned to 4-10 nm. Quantum confinement is examined by establishing a relationship between particle size and band gap while the in depth growth dynamics are illuminated through UV-vis-NIR spectroscopy. Surface chemistry effects are explored, including the demonstration of useful ligand exchanges and the development of routes toward anisotropic particle growth. Finally, transient current-voltage properties of SnSe nanocrystal films in the dark and light are examined. © 2010 American Chemical Society.

SnSe Nanocrystals: Synthesis, Structure, Optical Properties, and Surface Chemistry

KAUST Repository

Baumgardner, William J.

2010-07-21

The colloidal synthesis of SnSe nanoparticles is accomplished through the injection of bis[bis(trimethylsilyl)amino]tin(II) into hot trioctylphosphine: selenium in the presence of oleylamine. Through the manipulation of reaction temperature particles are grown with the average diameter reliably tuned to 4-10 nm. Quantum confinement is examined by establishing a relationship between particle size and band gap while the in depth growth dynamics are illuminated through UV-vis-NIR spectroscopy. Surface chemistry effects are explored, including the demonstration of useful ligand exchanges and the development of routes toward anisotropic particle growth. Finally, transient current-voltage properties of SnSe nanocrystal films in the dark and light are examined. © 2010 American Chemical Society.

Design, Properties and Recent Application of Macrocycles in Medicinal Chemistry.

Science.gov (United States)

Ermert, Philipp

2017-10-25

Macrocyclic compounds have recently received increasing attention in drug discovery as these compounds offer the potential to modulate difficult targets and to access novel chemotypes. Approaches towards libraries of macrocyclic compounds based on modular organic synthesis and applications of these technology platforms to find and improve biologically active compounds are introduced in this minireview. Alternatively, lead compounds may be obtained by truncation and modification of macrocyclic natural products. Selected medicinal chemistry programs are discussed, illustrating a macrocyclization approach toward ligands with improved properties. The design of such ligands is often informed by X-ray crystal structures of protein-ligand complexes. Efforts to understand cellular permeability and oral bioavailability of cyclic peptides and non-peptidic macrocycles are summarized.

Properties of Polydisperse Tin-doped Dysprosium and Indium Oxides

Directory of Open Access Journals (Sweden)

Malinovskaya Tatyana

2017-01-01

Full Text Available The results of investigations of the complex permittivity, diffuse-reflectance, and characteristics of crystal lattices of tin-doped indium and dysprosium oxides are presented. Using the methods of spectroscopy and X-ray diffraction analysis, it is shown that doping of indium oxide with tin results in a significant increase of the components of the indium oxide complex permittivity and an appearance of the plasma resonance in its diffuse-reflectance spectra. This indicates the appearance of charge carriers with the concentration of more than 1021 cm−3 in the materials. On the other hand, doping of the dysprosium oxide with the same amount of tin has no effect on its optical and electromagnetic properties.

Technological aspects of the radiation chemistry

International Nuclear Information System (INIS)

Chmielewski, A.G.

2006-01-01

Main technological aspects of the radiation chemistry are reviewed: network formation in polymers and caoutchouc, production of the sterile hydrogels, sterilisation of the expendable medical equipment and the environmental protection technologies (e.g. purification of the combustion gases from the sulfur oxides). Achievements of the are reviewed Institute of Nuclear Chemistry and Technology, Warsaw (Poland) in these fields are presented

Aerosol Fragmentation Driven by Coupling of Acid-Base and Free-Radical Chemistry in the Heterogeneous Oxidation of Aqueous Citric Acid by OH Radicals.

Science.gov (United States)

Liu, Matthew J; Wiegel, Aaron A; Wilson, Kevin R; Houle, Frances A

2017-08-10

A key uncertainty in the heterogeneous oxidation of carboxylic acids by hydroxyl radicals (OH) in aqueous-phase aerosol is how the free-radical reaction pathways might be altered by acid-base chemistry. In particular, if acid-base reactions occur concurrently with acyloxy radical formation and unimolecular decomposition of alkoxy radicals, there is a possibility that differences in reaction pathways impact the partitioning of organic carbon between the gas and aqueous phases. To examine these questions, a kinetic model is developed for the OH-initiated oxidation of citric acid aerosol at high relative humidity. The reaction scheme, containing both free-radical and acid-base elementary reaction steps with physically validated rate coefficients, accurately predicts the experimentally observed molecular composition, particle size, and average elemental composition of the aerosol upon oxidation. The difference between the two reaction channels centers on the reactivity of carboxylic acid groups. Free-radical reactions mainly add functional groups to the carbon skeleton of neutral citric acid, because carboxylic acid moieties deactivate the unimolecular fragmentation of alkoxy radicals. In contrast, the conjugate carboxylate groups originating from acid-base equilibria activate both acyloxy radical formation and carbon-carbon bond scission of alkoxy radicals, leading to the formation of low molecular weight, highly oxidized products such as oxalic and mesoxalic acid. Subsequent hydration of carbonyl groups in the oxidized products increases the aerosol hygroscopicity and accelerates the substantial water uptake and volume growth that accompany oxidation. These results frame the oxidative lifecycle of atmospheric aerosol: it is governed by feedbacks between reactions that first increase the particle oxidation state, then eventually promote water uptake and acid-base chemistry. When coupled to free-radical reactions, acid-base channels lead to formation of low molecular

Fundamental aspects of actinide-zirconium pyrochlore oxides: Systematic comparison of the Pu, Am, Cm, Bk and Cf systems

International Nuclear Information System (INIS)

Haire, R.G.; Raison, P.E.

2000-01-01

Zirconium- and hafnium-based oxide materials have gained attraction for various nuclear applications. These materials have features in common with one of the early, well-publicized inorganic ceramics for immobilizing nuclear waste. Our interests have addressed the fundamental structural and chemical properties of these oxide systems. We pursued both the crystal chemical constraints of the oxide matrices, as well as the importance of the chemistry of the f-elements. By incorporating five actinide elements in our studies, we were able to compare systematically the materials science of these materials with the fundamental chemistry and electronic configurations of these actinides employed. It is expected that this basic information will be useful technologically in the realm of tailor-made materials for different applications

Chemistry management of generator stator water system

International Nuclear Information System (INIS)

Sankar, N.; Santhanam, V.S.; Ayyar, S.R.; Umapathi, P.; Jeena, P.; Hari Krishna, K.; Rajendran, D.

2015-01-01

Chemistry management of water cooled turbine generators with hollow copper conductors is very essential to avoid possible re-deposition of released copper oxides on stator windings, which otherwise may cause flow restrictions by partial plugging of copper hollow conductors and impair cooling. The phenomenon which is of more concern is not strictly of corrosion failure, but the consequences caused by the re-deposition of copper oxides that were formed by reaction of copper with oxygen. There were also some Operating experiences (OE) related to Copper oxide fouling in the system resulting shut down/off-line of plants. In Madras Atomic Power Station (MAPS), the turbine generator stator windings are of Copper material and cooled by demineralized water passing through the hollow conductors. The heated water from the stator is cooled by process water. A part of the stator water is continuously passed through a mixed bed polisher to remove any soluble ionic contaminants to maintain the purity of system water and also maintain copper content as low as possible to avoid possible re-deposition of released copper oxides on stator windings. The chemistry regime employed is neutral water with dissolved oxygen content between 1000-2000 ppb. Chemistry management of Stator water system was reviewed to know its effectiveness. Detailed chemical analyses of the spent resins from the polishing unit were carried out in various campaigns which indicated only part exhaustion of the polishing unit resins and reasonably low levels of copper entrapment in the resins, thus highlighting the effectiveness of the in-practice chemistry regime. (author)

Metal Oxide Nano structures: Synthesis, Properties, and Applications

International Nuclear Information System (INIS)

Xu, L. H.; Patil, D. S.; Yang, J.; Xiao, J.

2015-01-01

In recent years, nano structured materials have attracted wide attention due to their fascinating optical and electrical properties, which make these materials potentially suitable for applications in electronics, optics, photonics, and sensors. Some metal oxides show a wide variety of morphologies such as nano wires, nano rods, nano tubes, nano rings, and nano belts. Synthesis and investigation of these metal-oxide nano structures are beneficial not only for understanding the fundamental phenomena in low dimensional systems, but also for developing new-generation nano devices with high performance.

Effect of surfactant for magnetic properties of iron oxide nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Haracz, S. [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89B, 61-614 Poznań (Poland); Hilgendorff, M. [Freie Universität Berlin, Fachbereich Physik, Arnimalle 14, 14195 Berlin (Germany); Rybka, J.D. [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89B, 61-614 Poznań (Poland); Giersig, M. [Faculty of Chemistry, Adam Mickiewicz University, Umultowska 89B, 61-614 Poznań (Poland); Freie Universität Berlin, Fachbereich Physik, Arnimalle 14, 14195 Berlin (Germany)

2015-12-01

Highlights: • Dynamic behavior of magnetic nanoparticles. • Synthesis of iron oxide nanoparticles. • Effect of surfactant for magnetic properties. - Abstract: For different medical applications nanoparticles (NPs) with well-defined magnetic properties have to be used. Coating ligand can change the magnetic moment on the surface of nanostructures and therefore the magnetic behavior of the system. Here we investigated magnetic NPs in a size of 13 nm conjugated with four different kinds of surfactants. The surface anisotropy and the magnetic moment of the system were changed due to the presence of the surfactant on the surface of iron oxide NPs.

Materials Chemistry

CERN Document Server

Fahlman, Bradley D

2011-01-01

The 2nd edition of Materials Chemistry builds on the strengths that were recognized by a 2008 Textbook Excellence Award from the Text and Academic Authors Association (TAA). Materials Chemistry addresses inorganic-, organic-, and nano-based materials from a structure vs. property treatment, providing a suitable breadth and depth coverage of the rapidly evolving materials field. The 2nd edition continues to offer innovative coverage and practical perspective throughout. After briefly defining materials chemistry and its history, seven chapters discuss solid-state chemistry, metals, semiconducting materials, organic "soft" materials, nanomaterials, and materials characterization. All chapters have been thoroughly updated and expanded with, for example, new sections on ‘soft lithographic’ patterning, ‘click chemistry’ polymerization, nanotoxicity, graphene, as well as many biomaterials applications. The polymer and ‘soft’ materials chapter represents the largest expansion for the 2nd edition. Each ch...

Sulfur Chemistry in Combustion I

DEFF Research Database (Denmark)

Johnsson, Jan Erik; Glarborg, Peter

2000-01-01

of the sulphur compounds in fossil fuels and the possibilities to remove them will be given. Then the combustion of sulphur species and their influence on the combustion chemistry and especially on the CO oxidation and the NOx formation will be described. Finally the in-situ removal of sulphur in the combustion...... process by reaction between SO2 and calcium containing sorbents and the influence on the NOx chemistry will be treated....

Physical properties of pyrolytically sprayed tin-doped indium oxide coatings

NARCIS (Netherlands)

Haitjema, H.; Elich, J.J.P.

1991-01-01

The optical and electrical properties of tin-doped indium oxide coatings obviously depend on a number of production parameters. This dependence has been studied to obtain a more general insight into the relationships between the various coating properties. The coatings have been produced by spray

The chemistry of silicon

CERN Document Server

Rochow, E G; Emeléus, H J; Nyholm, Ronald

1975-01-01

Pergamon Texts in Organic Chemistry, Volume 9: The Chemistry of Silicon presents information essential in understanding the chemical properties of silicon. The book first covers the fundamental aspects of silicon, such as its nuclear, physical, and chemical properties. The text also details the history of silicon, its occurrence and distribution, and applications. Next, the selection enumerates the compounds and complexes of silicon, along with organosilicon compounds. The text will be of great interest to chemists and chemical engineers. Other researchers working on research study involving s

Modeling the radical chemistry in an oxidation flow reactor: radical formation and recycling, sensitivities, and the OH exposure estimation equation.

Science.gov (United States)

Li, Rui; Palm, Brett B; Ortega, Amber M; Hlywiak, James; Hu, Weiwei; Peng, Zhe; Day, Douglas A; Knote, Christoph; Brune, William H; de Gouw, Joost A; Jimenez, Jose L

2015-05-14

Oxidation flow reactors (OFRs) containing low-pressure mercury (Hg) lamps that emit UV light at both 185 and 254 nm ("OFR185") to generate OH radicals and O3 are used in many areas of atmospheric science and in pollution control devices. The widely used potential aerosol mass (PAM) OFR was designed for studies on the formation and oxidation of secondary organic aerosols (SOA), allowing for a wide range of oxidant exposures and short experiment duration with reduced wall loss effects. Although fundamental photochemical and kinetic data applicable to these reactors are available, the radical chemistry and its sensitivities have not been modeled in detail before; thus, experimental verification of our understanding of this chemistry has been very limited. To better understand the chemistry in the OFR185, a model has been developed to simulate the formation, recycling, and destruction of radicals and to allow the quantification of OH exposure (OHexp) in the reactor and its sensitivities. The model outputs of OHexp were evaluated against laboratory calibration experiments by estimating OHexp from trace gas removal and were shown to agree within a factor of 2. A sensitivity study was performed to characterize the dependence of the OHexp, HO2/OH ratio, and O3 and H2O2 output concentrations on reactor parameters. OHexp is strongly affected by the UV photon flux, absolute humidity, reactor residence time, and the OH reactivity (OHR) of the sampled air, and more weakly by pressure and temperature. OHexp can be strongly suppressed by high OHR, especially under low UV light conditions. A OHexp estimation equation as a function of easily measurable quantities was shown to reproduce model results within 10% (average absolute value of the relative errors) over the whole operating range of the reactor. OHexp from the estimation equation was compared with measurements in several field campaigns and shows agreement within a factor of 3. The improved understanding of the OFR185 and

Chemistry

International Nuclear Information System (INIS)

Ferris, L.M.

1976-01-01

Research progress is reported in programs on fuel-salt chemistry, properties of compounds in the Li--Te system, Te spectroscopy UF 4 --H equilibria, porous electrode studies of molten salts, fuel salt-coolant salt reactions, thermodynamic properties of transition-metal fluorides, and properties of sodium fluoroborate. Developmental work on analytical methods is summarized including in-line analysis of molten MSBR fuel, analysis of coolant-salts for tritium, analysis of molten LiF--BeF 2 --ThF 4 for Fe and analysis of LiF--BeF--ThF 4 for Te

Emulsifying Property and Antioxidative Activity of Cuttlefish Skin Gelatin Modified with Oxidized Linoleic Acid and Oxidized Tannic Acid

NARCIS (Netherlands)

Aewsiri, T.; Benjakul, S.; Visessanguan, W.; Wierenga, P.A.; Gruppen, H.

2013-01-01

Cuttlefish skin gelatins modified with oxidized linoleic acid (OLA) and oxidized tannic acid (OTA) were characterized and determined for emulsifying properties and antioxidative activity. Modification of gelatin with 5% OTA increased the total phenolic content and 1,1-diphenyl-2-picrylhydrazyl,

Defect Chemistry and Electrical Conductivity of Sm-Doped La1-xSrxCoO3-δ for Solid Oxide Fuel Cells

DEFF Research Database (Denmark)

Björketun, Mårten; Castelli, Ivano Eligio; Rossmeisl, Jan

2017-01-01

We have calculated the electrical conductivity of the solid oxide fuel cell (SOFC) cathode contact material La1-xSrxCoO3-δ at 900 K. Experimental trends in conductivity against x, and against δ for fixed x, are correctly reproduced for x ≲ 0.8. Furthermore, we have studied the chemistry of neutral...

Ammonia chemistry in a flameless jet

Energy Technology Data Exchange (ETDEWEB)

Zieba, Mariusz; Schuster, Anja; Scheffknecht, Guenter [Institute of Process Engineering and Power Plant Technology, University of Stuttgart, Pfaffenwaldring 23, D-70569 Stuttgart (Germany); Brink, Anders; Hupa, Mikko [Process Chemistry Centre, Aabo Akademi University, Biskopsgatan 8, 20500 Aabo (Finland)

2009-10-15

In this paper, the nitrogen chemistry in an ammonia (NH{sub 3}) doped flameless jet is investigated using a kinetic reactor network model. The reactor network model is used to explain the main differences in ammonia chemistry for methane (CH{sub 4})-containing fuels and methane-free fuels. The chemical pathways of nitrogen oxides (NO{sub x}) formation and destruction are identified using rate-of-production analysis. The results show that in the case of natural gas, ammonia reacts relatively late at fuel lean condition leading to high NO{sub x} emissions. In the pre-ignition zone, the ammonia chemistry is blocked due to the absence of free radicals which are consumed by methane-methyl radical (CH{sub 3}) conversion. In the case of methane-free gas, the ammonia reacted very rapidly and complete decomposition was reached in the fuel rich region of the jet. In this case the necessary radicals for the ammonia conversion are generated from hydrogen (H{sub 2}) oxidation. (author)

Journal of Applied Chemistry and Agricultural Research: Submissions

African Journals Online (AJOL)

Journal of Applied Chemistry and Agricultural Research: Submissions ... and water quality (pollution studies), phyisco-chemical properties of naturally occurring products, colloid chemistry, nutritional chemistry and metallurgy. ... For example:

computational chemistry capacity building in an underprivileged ...

African Journals Online (AJOL)

dell

ABSTRACT. Computational chemistry is a fast developing branch of modern chemistry, focusing on the study of molecules to enable better understanding of the properties of substances. Its applications comprise a variety of fields, from drug design to the design of compounds with desired properties. (e.g., catalysts with ...

Radiation chemistry of some novel antioxidants from turmeric and other natural products: physico-chemistry properties and antioxidant activities

International Nuclear Information System (INIS)

Indira Priyadarsini, K.; Guha, S.N.; Rao, M.N.A.

1998-01-01

Using pulse radiolysis the free radical reactions of the structurally related phenols were studied with biologically relevant oxidants both in aqueous-organic solutions and neutral surfactant solutions. The resulting phenoxyl radicals were characterised by their lifetimes, absorption spectra, one-electron reduction potential and reaction with other antioxidants. The physicochemical properties of the phenoxyl radicals were compared with the antioxidant activities of these compounds

Effect of thermal treatment conditions on properties of vanadium molybdenum oxide catalyst in acrolein oxidation reaction to acrylic acid

International Nuclear Information System (INIS)

Gorshkova, T.P.; Tarasova, D.V.; Olen'kova, I.P.; Andrushkevich, T.V.; Nikoro, T.A.

1984-01-01

The effect of thermal treatment conditions (temperature and gas medium) on properties of vanadium molybdenum oxide catalyst in acrolein oxidation reaction to acrylic acid is investigated. It is shown that active and selective catalysts are formed in the course of thermal decomposition of the drying product of ammonium metavanadate and paramolybdate under the conditions ensuring the vanadium ion reduction up to tetravalent state with conservation of molybdenum oxidation degree equal to 6. It is possible to realize it either by treatment of the catalyst calcinated in the air flow at 300 deg by the reaction mixture at the activation stage or by gas-reducer flow treatment at 280 deg. Thermal treatment in the reducing medium of the oxidized catalyst does not lead to complete regeneration of its properties

Size-dependent magnetic properties of branchlike nickel oxide nanocrystals

Directory of Open Access Journals (Sweden)

Dan Liu

2017-01-01

Full Text Available Branchlike nickel oxide nanocrystals with narrow size distribution are obtained by a solution growth method. The size-dependent of magnetic properties of the nickel oxides were investigated. The results of magnetic characterization indicate that the NiO nanocrystals with size below 12.8 nm show very weak ferromagnetic state at room temperature due to the uncompensated spins. Both of the average blocking temperature (Tb and the irreversible temperature (Tirr increase with the increase of nanoparticle sizes, while both the remnant magnetization and the coercivity at 300 K increase with the decrease of the particle sizes. Moreover, the disappearance of two-magnon (2M band and redshift of one-phonon longitudinal (1LO and two-phonon LO in vibrational properties due to size reduction are observed. Compared to the one with the spherical morphological, it is also found that nano-structured nickel oxides with the branchlike morphology have larger remnant magnetization and the coercivity at 5 K due to their larger surface-to-volume ratio and greater degree of broken symmetry at the surface or the higher proportion of broken bonds.

An introduction to serious nuclear accident chemistry

Directory of Open Access Journals (Sweden)

Mark Russell St. John Foreman

2015-12-01

Full Text Available A review of the chemistry occurring inside a nuclear power plant during a serious reactor accident is presented. This includes some aspects of the behavior of nuclear fuel, its cladding, cesium and iodine. This review concentrates on the chemistry of an accident in a water-cooled reactor loaded with uranium dioxide or mixed metal oxide fuel.

Alcohol combustion chemistry

KAUST Repository

Sarathy, Mani

2014-10-01

Alternative transportation fuels, preferably from renewable sources, include alcohols with up to five or even more carbon atoms. They are considered promising because they can be derived from biological matter via established and new processes. In addition, many of their physical-chemical properties are compatible with the requirements of modern engines, which make them attractive either as replacements for fossil fuels or as fuel additives. Indeed, alcohol fuels have been used since the early years of automobile production, particularly in Brazil, where ethanol has a long history of use as an automobile fuel. Recently, increasing attention has been paid to the use of non-petroleum-based fuels made from biological sources, including alcohols (predominantly ethanol), as important liquid biofuels. Today, the ethanol fuel that is offered in the market is mainly made from sugar cane or corn. Its production as a first-generation biofuel, especially in North America, has been associated with publicly discussed drawbacks, such as reduction in the food supply, need for fertilization, extensive water usage, and other ecological concerns. More environmentally friendly processes are being considered to produce alcohols from inedible plants or plant parts on wasteland. While biofuel production and its use (especially ethanol and biodiesel) in internal combustion engines have been the focus of several recent reviews, a dedicated overview and summary of research on alcohol combustion chemistry is still lacking. Besides ethanol, many linear and branched members of the alcohol family, from methanol to hexanols, have been studied, with a particular emphasis on butanols. These fuels and their combustion properties, including their ignition, flame propagation, and extinction characteristics, their pyrolysis and oxidation reactions, and their potential to produce pollutant emissions have been intensively investigated in dedicated experiments on the laboratory and the engine scale

Pure and multi metal oxide nanoparticles: synthesis, antibacterial and cytotoxic properties.

Science.gov (United States)

Stankic, Slavica; Suman, Sneha; Haque, Francia; Vidic, Jasmina

2016-10-24

Th antibacterial activity of metal oxide nanoparticles has received marked global attention as they can be specifically synthesized to exhibit significant toxicity to bacteria. The importance of their application as antibacterial agents is evident keeping in mind the limited range and effectiveness of antibiotics, on one hand, and the plethora of metal oxides, on the other, along with the propensity of nanoparticles to induce resistance being much lower than that of antibiotics. Effective inhibition against a wide range of bacteria is well known for several nano oxides consisting of one metal (Fe 3 O 4 , TiO 2 , CuO, ZnO), whereas, research in the field of multi-metal oxides still demands extensive exploration. This is understandable given that the relationship between physicochemical properties and biological activity seems to be complex and difficult to generalize even for metal oxide nanoparticles consisting of only one metal component. Also, despite the broad scope that metal oxide nanoparticles have as antibacterial agents, there arise problems in practical applications taking into account the cytotoxic effects. In this respect, the consideration of polymetallic oxides for biological applications becomes even greater since these can provide synergetic effects and unify the best physicochemical properties of their components. For instance, strong antibacterial efficiency specific of one metal oxide can be complemented by non-cytotoxicity of another. This review presents the main methods and technological advances in fabrication of nanostructured metal oxides with a particular emphasis to multi-metal oxide nanoparticles, their antibacterial effects and cytotoxicity.

Pure and multi metal oxide nanoparticles: synthesis, antibacterial and cytotoxic properties

Directory of Open Access Journals (Sweden)

Slavica Stankic

2016-10-01

Full Text Available Abstract Th antibacterial activity of metal oxide nanoparticles has received marked global attention as they can be specifically synthesized to exhibit significant toxicity to bacteria. The importance of their application as antibacterial agents is evident keeping in mind the limited range and effectiveness of antibiotics, on one hand, and the plethora of metal oxides, on the other, along with the propensity of nanoparticles to induce resistance being much lower than that of antibiotics. Effective inhibition against a wide range of bacteria is well known for several nano oxides consisting of one metal (Fe3O4, TiO2, CuO, ZnO, whereas, research in the field of multi-metal oxides still demands extensive exploration. This is understandable given that the relationship between physicochemical properties and biological activity seems to be complex and difficult to generalize even for metal oxide nanoparticles consisting of only one metal component. Also, despite the broad scope that metal oxide nanoparticles have as antibacterial agents, there arise problems in practical applications taking into account the cytotoxic effects. In this respect, the consideration of polymetallic oxides for biological applications becomes even greater since these can provide synergetic effects and unify the best physicochemical properties of their components. For instance, strong antibacterial efficiency specific of one metal oxide can be complemented by non-cytotoxicity of another. This review presents the main methods and technological advances in fabrication of nanostructured metal oxides with a particular emphasis to multi-metal oxide nanoparticles, their antibacterial effects and cytotoxicity.

Importance of sulfate radical anion formation and chemistry in heterogeneous OH oxidation of sodium methyl sulfate, the smallest organosulfate

Science.gov (United States)

Chung Kwong, Kai; Chim, Man Mei; Davies, James F.; Wilson, Kevin R.; Nin Chan, Man

2018-02-01

Organosulfates are important organosulfur compounds present in atmospheric particles. While the abundance, composition, and formation mechanisms of organosulfates have been extensively investigated, it remains unclear how they transform and evolve throughout their atmospheric lifetime. To acquire a fundamental understanding of how organosulfates chemically transform in the atmosphere, this work investigates the heterogeneous OH radical-initiated oxidation of sodium methyl sulfate (CH3SO4Na) droplets, the smallest organosulfate detected in atmospheric particles, using an aerosol flow tube reactor at a high relative humidity (RH) of 85 %. Aerosol mass spectra measured by a soft atmospheric pressure ionization source (direct analysis in real time, DART) coupled with a high-resolution mass spectrometer showed that neither functionalization nor fragmentation products are detected. Instead, the ion signal intensity of the bisulfate ion (HSO4-) has been found to increase significantly after OH oxidation. We postulate that sodium methyl sulfate tends to fragment into a formaldehyde (CH2O) and a sulfate radical anion (SO4 ṡ -) upon OH oxidation. The formaldehyde is likely partitioned back to the gas phase due to its high volatility. The sulfate radical anion, similar to OH radical, can abstract a hydrogen atom from neighboring sodium methyl sulfate to form the bisulfate ion, contributing to the secondary chemistry. Kinetic measurements show that the heterogeneous OH reaction rate constant, k, is (3.79 ± 0.19) × 10-13 cm3 molecule-1 s-1 with an effective OH uptake coefficient, γeff, of 0.17 ± 0.03. While about 40 % of sodium methyl sulfate is being oxidized at the maximum OH exposure (1.27 × 1012 molecule cm-3 s), only a 3 % decrease in particle diameter is observed. This can be attributed to a small fraction of particle mass lost via the formation and volatilization of formaldehyde. Overall, we firstly demonstrate that the heterogeneous OH oxidation of an

Physical Chemistry Chemical Kinetics and Reaction Mechanism

CERN Document Server

Trimm, Harold H

2011-01-01

Physical chemistry covers diverse topics, from biochemistry to materials properties to the development of quantum computers. Physical chemistry applies physics and math to problems that interest chemists, biologists, and engineers. Physical chemists use theoretical constructs and mathematical computations to understand chemical properties and describe the behavior of molecular and condensed matter. Their work involves manipulations of data as well as materials. Physical chemistry entails extensive work with sophisticated instrumentation and equipment as well as state-of-the-art computers. This

Structural, optical, morphological and dielectric properties of cerium oxide nanoparticles

International Nuclear Information System (INIS)

Prabaharan, Devadoss Mangalam Durai Manoharadoss; Sadaiyandi, Karuppasamy; Mahendran, Manickam; Sagadevan, Suresh

2016-01-01

Cerium oxide (CeO 2 ) nanoparticles were prepared by the precipitation method. The average crystallite size of cerium oxide nanoparticles was calculated from the X-ray diffraction (XRD) pattern and found to be 11 nm. The FT-IR spectrum clearly indicated the strong presence of cerium oxide nanoparticles. Raman spectrum confirmed the cubic nature of the cerium oxide nanoparticles. The Scanning Electron Microscopy (SEM) analysis showed that the nanoparticles agglomerated forming spherical-shaped particles. The Transmission Electron Microscopic (TEM) analysis confirmed the prepared cerium oxide nanoparticles with the particle size being found to be 16 nm. The optical absorption spectrum showed a blue shift by the cerium oxide nanoparticles due to the quantum confinement effect. The dielectric properties of cerium oxide nanoparticles were studied for different frequencies at different temperatures. The dielectric constant and the dielectric loss of the cerium oxide nanoparticles decreased with increase in frequency. The AC electrical conductivity study revealed that the conduction depended on both the frequency and the temperature. (author)

Structural, optical, morphological and dielectric properties of cerium oxide nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Prabaharan, Devadoss Mangalam Durai Manoharadoss [Department of Physics, NPR College of Engineering and Technology, Natham, Dindigul, Tamil Nadu (India); Sadaiyandi, Karuppasamy [Department of Physics, Alagappa Government Arts College, Karaikudi, Sivaganga, Tamil Nadu (India); Mahendran, Manickam [Department of Physics, Thiagarajar College of Engineering, Madurai, Tamil Nadu (India); Sagadevan, Suresh, E-mail: duraiphysics2011@gmail.com [Department of Physics, AMET University (India)

2016-03-15

Cerium oxide (CeO{sub 2}) nanoparticles were prepared by the precipitation method. The average crystallite size of cerium oxide nanoparticles was calculated from the X-ray diffraction (XRD) pattern and found to be 11 nm. The FT-IR spectrum clearly indicated the strong presence of cerium oxide nanoparticles. Raman spectrum confirmed the cubic nature of the cerium oxide nanoparticles. The Scanning Electron Microscopy (SEM) analysis showed that the nanoparticles agglomerated forming spherical-shaped particles. The Transmission Electron Microscopic (TEM) analysis confirmed the prepared cerium oxide nanoparticles with the particle size being found to be 16 nm. The optical absorption spectrum showed a blue shift by the cerium oxide nanoparticles due to the quantum confinement effect. The dielectric properties of cerium oxide nanoparticles were studied for different frequencies at different temperatures. The dielectric constant and the dielectric loss of the cerium oxide nanoparticles decreased with increase in frequency. The AC electrical conductivity study revealed that the conduction depended on both the frequency and the temperature. (author)

A Click Chemistry Approach towards Flavin-Cyclodextrin Conjugates-Bioinspired Sulfoxidation Catalysts

Czech Academy of Sciences Publication Activity Database

Tomanová, P.; Šturala, J.; Buděšínský, Miloš; Cibulka, R.

2015-01-01

Roč. 20, č. 11 (2015), s. 19837-19848 ISSN 1420-3049 Institutional support: RVO:61388963 Keywords : click chemistry * cyclodextrin * flavin * monooxygenase * oxidation * sulfoxides * green chemistry Subject RIV: CC - Organic Chemistry Impact factor: 2.465, year: 2015 http://www.mdpi.com/1420-3049/20/11/19667/htm

Polyaniline-grafted reduced graphene oxide for efficient electrochemical supercapacitors.

Science.gov (United States)

Kumar, Nanjundan Ashok; Choi, Hyun-Jung; Shin, Yeon Ran; Chang, Dong Wook; Dai, Liming; Baek, Jong-Beom

2012-02-28

An alternative and effective route to prepare conducting polyaniline-grafted reduced graphene oxide (PANi-g-rGO) composite with highly enhanced properties is reported. In order to prepare PANi-g-rGO, amine-protected 4-aminophenol was initially grafted to graphite oxide (GO) via acyl chemistry where a concomitant partial reduction of GO occurred due to the refluxing and exposure of GO to thionyl chloride vapors and heating. Following the deprotection of amine groups, an in situ chemical oxidative grafting of aniline in the presence of an oxidizing agent was carried out to yield highly conducting PANi-g-rGO. Electron microscopic studies demonstrated that the resultant composite has fibrillar morphology with a room-temperature electrical conductivity as high as 8.66 S/cm and capacitance of 250 F/g with good cycling stability.

First principles studies of complex oxide surfaces and interfaces

International Nuclear Information System (INIS)

Noguera, Claudine; Finocchi, Fabio; Goniakowski, Jacek

2004-01-01

Oxides enter our everyday life and exhibit an impressive variety of physical and chemical properties. The understanding of their behaviour, which is often determined by the electronic and atomic structures of their surfaces and interfaces, is a key question in many fields, such as geology, environmental chemistry, catalysis, thermal coatings, microelectronics, and bioengineering. In the last decade, first principles methods, mainly those based on the density functional theory, have been frequently applied to study complex oxide surfaces and interfaces, complementing the experimental observations. In this work, we discuss some of these contributions, with emphasis on several issues that are especially important when dealing with oxides: the local electronic structure at interfaces, and its connection with chemical reactivity; the charge redistribution and the bonding variations, in relation to screening properties; and the possibility of bridging the gap between model and real systems by taking into account the chemical environments and the effect of finite temperatures, and by performing simulations on systems of an adequate (large) size

Connecting Structure-Property and Structure-Function Relationships across the Disciplines of Chemistry and Biology: Exploring Student Perceptions

Science.gov (United States)

Kohn, Kathryn P.; Underwood, Sonia M.; Cooper, Melanie M.

2018-01-01

While many university students take science courses in multiple disciplines, little is known about how they perceive common concepts from different disciplinary perspectives. Structure-property and structure-function relationships have long been considered important explanatory concepts in the disciplines of chemistry and biology, respectively.…

Precursor directed synthesis--"molecular" mechanisms in the Soft Chemistry approaches and their use for template-free synthesis of metal, metal oxide and metal chalcogenide nanoparticles and nanostructures.

Science.gov (United States)

Seisenbaeva, Gulaim A; Kessler, Vadim G

2014-06-21

This review provides an insight into the common reaction mechanisms in Soft Chemistry processes involved in nucleation, growth and aggregation of metal, metal oxide and chalcogenide nanoparticles starting from metal-organic precursors such as metal alkoxides, beta-diketonates, carboxylates and their chalcogene analogues and demonstrates how mastering the precursor chemistry permits us to control the chemical and phase composition, crystallinity, morphology, porosity and surface characteristics of produced nanomaterials.

A Recent History of HNO (Nitroxyl) Chemistry, Pharmacology and Therapeutic Potential.

Science.gov (United States)

Fukuto, Jon M

2018-06-02

Due to the excitement surrounding the discovery of nitric oxide (NO) as an endogenously generated signaling molecule, numerous other nitrogen oxides were also investigated as possible physiological mediators. Among these was nitroxyl (HNO). Over the past 25 years or so, a significant amount of work by this lab and many others has discovered that HNO possesses unique chemical properties and important pharmacological utility. Indeed, the pharmacological potential for HNO as a treatment for heart failure, among other uses, has garnered this curious molecule tremendous recent attention. This review thus summarizes the events that led to this recent attention as well as pose remaining questions that are important to answer with regards to understanding the chemistry and biology of HNO. This article is protected by copyright. All rights reserved.

Properties of polycrystalline indium oxide in open air and in vacuum

International Nuclear Information System (INIS)

Solov'eva, A.E.; Zhdanov, V.A.; Markov, V.L.; Shvangiradze, R.R.

1982-01-01

Properties of polycrystalline indium oxide according to annealing temperature in open air and in vacuum are investigated. It is established that the indium oxide begins to change its chemical composition during the annealing in the open air from 1200 deg C, and in the vacuum - form 800 deg C. During the annealing of the samples in ths open air in the temperature range of 1200-1450 deg C the lattice of the indium oxide loses probably, only oxygen; this process is accompanied by change of the samples color, electrophysical properties, lattice parameter density. Cation sublattice is disturbed in the vacuum beginning from 900 deg C, which is accompanied by destruction of the color centers. X-ray density and the activation energy of the reduction accounting the formation of the color centers are calculated on the base of the X-ray data and the deviation from stoichiometry of the indium oxide depending on the annealing temperature in the open air

A comparison between oxidation of activated carbon by electrochemical and chemical treatments

OpenAIRE

Berenguer, Raúl; Marco-Lozar, Juan Pablo; Quijada tomás, Cesar; Cazorla-Amoros, Diego; Morallón, Emilia

2012-01-01

The anodic oxidation of a granular activated carbon (GAC) in NaCl solution has been studied. The influence of the electrocatalyst-anode material, applied current and time of treatment on both the surface chemistry and porous texture properties of the GAC has been analyzed. For comparison purposes, the same GAC has been treated with three of the classical chemical oxidants: HNO 3, H 2O 2 and (NH 4) 2S 2O 8 at different concentrations and for different times. Results show that the anodic treatm...

Metal Oxide Nanostructured Materials for Optical and Energy Applications

OpenAIRE

Moore, Michael Christopher

2013-01-01

With a rapidly growing population, dwindling resources, and increasing environmental pressures, the need for sustainable technological solutions becomes more urgent. Metal oxides make up much of the earth's crust and are typically inexpensive materials, but poor electrical and optical properties prevent them from being useful for most semiconductor applications. Recent breakthroughs in chemistry and materials science allow for the growth of high-quality materials with nanometer-scale features...

Improvement of biological properties of titanium by anodic oxidation and ultraviolet irradiation

Energy Technology Data Exchange (ETDEWEB)

Li, Baoe [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China); Li, Ying [Stomatological Hospital, Tianjin Medical University, Tianjin 300070 (China); Li, Jun [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Fu, Xiaolong; Li, Changyi [Stomatological Hospital, Tianjin Medical University, Tianjin 300070 (China); Wang, Hongshui [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Liu, Shimin [Business School, Tianjin University of Commerce, Tianjin 300134 (China); Guo, Litong [China University of Mining and Technology, Xuzhou 221116 (China); Xin, Shigang [Shanghai Institute of Ceramics, Chinese Academy of Sciences, 1295 Dingxi Road, Shanghai 200050 (China); Liang, Chunyong, E-mail: liangchunyong@126.com [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Li, Haipeng, E-mail: lhpcx@163.com [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China)

2014-07-01

Anodic oxidation was applied to produce a homogeneous and uniform array of nanotubes of about 70 nm on the titanium (Ti) surface, and then, the nanotubes were irradiated by ultraviolet. The bioactivity of the Ti surface was evaluated by simulated body fluid soaking test. The biocompatibility was investigated by in vitro cell culture test. The results showed that bone-like apatite was formed on the anodic oxidized and UV irradiated Ti surface, but not on the as-polished Ti surface after immersion in simulated body fluid for two weeks. Cells cultured on the anodic oxidized Ti surface showed enhanced cell adhesion and proliferation, also presented an up-regulated gene expression of osteogenic markers OPG, compared to those cultured on the as-polished Ti surface. After UV irradiation, the cell behaviors were further improved, indicating better biocompatibility of Ti surface. Based on these results, it can be concluded that anodic oxidation improved the biological properties (bioactivity and biocompatibility) of Ti surface, while UV irradiation improved the biocompatibility to a better extent. The improved biological properties were attributed to the nanostructures as well as the enhanced hydrophilicity. Therefore, anodic oxidation combined with UV irradiation can be used to enhance the biological properties of Ti-based implants.

Covalent electron transfer chemistry of graphene with diazonium salts.

Science.gov (United States)

Paulus, Geraldine L C; Wang, Qing Hua; Strano, Michael S

2013-01-15

Graphene is an atomically thin, two-dimensional allotrope of carbon with exceptionally high carrier mobilities, thermal conductivity, and mechanical strength. From a chemist's perspective, graphene can be regarded as a large polycyclic aromatic molecule and as a surface without a bulk contribution. Consequently, chemistries typically performed on organic molecules and surfaces have been used as starting points for the chemical functionalization of graphene. The motivations for chemical modification of graphene include changing its doping level, opening an electronic band gap, charge storage, chemical and biological sensing, making new composite materials, and the scale-up of solution-processable graphene. In this Account, we focus on graphene functionalization via electron transfer chemistries, in particular via reactions with aryl diazonium salts. Because electron transfer chemistries depend on the Fermi energy of graphene and the density of states of the reagents, the resulting reaction rate depends on the number of graphene layers, edge states, defects, atomic structure, and the electrostatic environment. We limit our Account to focus on pristine graphene over graphene oxide, because free electrons in the latter are already bound to oxygen-containing functionalities and the resulting chemistries are dominated by localized reactivity and defects. We describe the reaction mechanism of diazonium functionalization of graphene and show that the reaction conditions determine the relative degrees of chemisorption and physisorption, which allows for controlled modulation of the electronic properties of graphene. Finally we discuss different applications for graphene modified by this chemistry, including as an additive in polymer matrices, as biosensors when coupled with cells and biomolecules, and as catalysts when combined with nanoparticles.

NUCLEAR CHEMISTRY ANNUAL REPORT 1970

Energy Technology Data Exchange (ETDEWEB)

Authors, Various

1971-05-01

Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.

Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry.

Science.gov (United States)

Gill, Arran M; Hinde, Christopher S; Leary, Rowan K; Potter, Matthew E; Jouve, Andrea; Wells, Peter P; Midgley, Paul A; Thomas, John M; Raja, Robert

2016-03-08

Highly active and selective aerobic oxidation of KA-oil to cyclohexanone (precursor for adipic acid and ɛ-caprolactam) has been achieved in high yields using continuous-flow chemistry by utilizing uncapped noble-metal (Au, Pt & Pd) nanoparticle catalysts. These are prepared using a one-step in situ methodology, within three-dimensional porous molecular architectures, to afford robust heterogeneous catalysts. Detailed spectroscopic characterization of the nature of the active sites at the molecular level, coupled with aberration-corrected scanning transmission electron microscopy, reveals that the synthetic methodology and associated activation procedures play a vital role in regulating the morphology, shape and size of the metal nanoparticles. These active centers have a profound influence on the activation of molecular oxygen for selective catalytic oxidations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetics and Mechanistic Chemistry of Oxidation of Butacaine Sulfate by Chloramine-B in Acid Medium

International Nuclear Information System (INIS)

Shubha, Jayachamarajapura Pranesh; Kotabagi, Vinutha; Puttaswamy

2012-01-01

Butacaine sulfate is an ester of p-aminobenzoic acid which has been widely used as a local anaesthetic and it is a long standing agent particularly for spinal anaesthesia. For this reason, a kinetic study of oxidation of butacaine sulfate by sodium N-chlorobenzenesulfonamide (chloramine-B or CAB) has been carried out in HClO 4 medium at 303 K in order to explore this redox system mechanistic chemistry. The rate shows a first-order dependence on both [CAB] o , and [substrate] o , and a fractional-order dependence on acid concentration. Decrease of dielectric constant of the medium, by adding methanol, increases the rate of the reaction. Variation of ionic strength and addition of benzenesulfonamide or NaCl have no significant effect on the rate. The reaction was studied at different temperatures and the activation parameters have been evaluated. The stoichiometry of the reaction has been found to be 1:2 and the oxidation products have been identified by spectral analysis. The observed results have been explained by plausible mechanism and the related rate law has been deduced

Titania and zirconia binary oxides as catalysts for total oxidation of ethyl acetate and methanol decomposition

Czech Academy of Sciences Publication Activity Database

Tsoncheva, T.; Mileva, A.; Issa, G.; Dimitrov, M.; Kovacheva, D.; Henych, Jiří; Kormunda, M.; Scotti, N.; Slušná, Michaela; Tolasz, Jakub; Štengl, Václav

2018-01-01

Roč. 6, č. 2 (2018), s. 2540-2550 ISSN 2213-3437 Grant - others:AV ČR(CZ) BAS-17-13 Program:Bilaterální spolupráce Institutional support: RVO:61388980 Keywords : Effect of preparation procedure * Ethyl acetate oxidation * Methanol decomposition * Titania-zirconia binary oxides Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry

Oxidative Stress to the Cornea, Changes in Corneal Optical Properties, and Advances in Treatment of Corneal Oxidative Injuries

Directory of Open Access Journals (Sweden)

Cestmir Cejka

2015-01-01

Full Text Available Oxidative stress is involved in many ocular diseases and injuries. The imbalance between oxidants and antioxidants in favour of oxidants (oxidative stress leads to the damage and may be highly involved in ocular aging processes. The anterior eye segment and mainly the cornea are directly exposed to noxae of external environment, such as air pollution, radiation, cigarette smoke, vapors or gases from household cleaning products, chemical burns from splashes of industrial chemicals, and danger from potential oxidative damage evoked by them. Oxidative stress may initiate or develop ocular injury resulting in decreased visual acuity or even vision loss. The role of oxidative stress in the pathogenesis of ocular diseases with particular attention to oxidative stress in the cornea and changes in corneal optical properties are discussed. Advances in the treatment of corneal oxidative injuries or diseases are shown.

Cerium oxide nanoparticles, combining antioxidant and UV shielding properties, prevent UV-induced cell damage and mutagenesis

KAUST Repository

Caputo, Fanny

2015-08-20

Efficient inorganic UV shields, mostly based on refracting TiO2 particles, have dramatically changed the sun exposure habits. Unfortunately, health concerns have emerged from the pro-oxidant photocatalytic effect of UV-irradiated TiO2, which mediates toxic effects on cells. Therefore, improvements in cosmetic solar shield technology are a strong priority. CeO2 nanoparticles are not only UV refractors but also potent biological antioxidants due to the surface 3+/4+ valency switch, which confers anti-inflammatory, anti-ageing and therapeutic properties. Herein, UV irradiation protocols were set up, allowing selective study of the extra-shielding effects of CeO2vs. TiO2 nanoparticles on reporter cells. TiO2 irradiated with UV (especially UVA) exerted strong photocatalytic effects, superimposing their pro-oxidant, cell-damaging and mutagenic action when induced by UV, thereby worsening the UV toxicity. On the contrary, irradiated CeO2 nanoparticles, via their Ce3+/Ce4+ redox couple, exerted impressive protection on UV-treated cells, by buffering oxidation, preserving viability and proliferation, reducing DNA damage and accelerating repair; strikingly, they almost eliminated mutagenesis, thus acting as an important tool to prevent skin cancer. Interestingly, CeO2 nanoparticles also protect cells from the damage induced by irradiated TiO2, suggesting that these two particles may also complement their effects in solar lotions. CeO2 nanoparticles, which intrinsically couple UV shielding with biological and genetic protection, appear to be ideal candidates for next-generation sun shields. © The Royal Society of Chemistry 2015.

Effect of Graphene Oxide on Anti-aging Property of Nitrile Butadiene Rubber

Directory of Open Access Journals (Sweden)

ZHANG Lin

2017-03-01

Full Text Available The blends with higher damping performance was prepared based on nitrile butadiene rubber(NBR with addition of graphene oxide(GO and modified graphene oxide(MGO prepared by improved Hammer method. Meanwhile, the damping property and the anti-aging property of the blends were investigated by DMA, AFM, SEM and so forth. The results show that after the addition of the GO and MGO, the tangent of loss angle(tanδ increases and also the anti-aging property is improved. When adding less amount of GO in the matrix, the anti-aging property is better; when adding MGO in the matrix, the amount of addition is not obviously related with the anti-aging property of the blends. The dispersion of GO and MGO has positive correlation with its anti-aging property. By microscopic analysis, the main reason for the decrease of anti-aging property of the blends is the agglomeration of the GO. The interface effect formed by the addition of MGO and GO is the main reason for its high damping property and anti-aging property.

Processing and properties of silver-metal oxide electrical contact materials

Directory of Open Access Journals (Sweden)

Nadežda M. Talijan

2012-12-01

Full Text Available The presented study gives a brief overview of the experimental results of investigations of different production technologies of silver-metal oxide electrical contact materials in relation: processing method - properties. The two most common routes of production, i.e. internal oxidation/ingot metallurgy and powder metallurgy are demonstrated on the example of Ag-CdO and Ag-ZnO materials. For illustration of alternative processing routes that provide higher dispersion of metal-oxide particles in silver matrix more environmentally friendly Ag-SnO2 contact materials are used. Processing of electrical contact materials by mechanical mixing of starting powders in high energy ball mill is presented. The obtained experimental results of application of different methods of introduction of SnO2 nanoparticles in the silver matrix such as conventional powder metallurgy mixing and template method are given and discussed in terms of their influence on microstructure and physical properties (density, hardness and electrical conductivity of the prepared Ag-SnO2 electrical contact materials.

Magnetic and structural properties of yellow europium oxide compound and Eu(OH){sub 3}

Energy Technology Data Exchange (ETDEWEB)

Lee, Dongwook, E-mail: dongwookleedl324@gmail.com [Cavendish Laboratory, University of Cambridge, J. J Thomson Av., Cambridge CB3 0HE (United Kingdom); Seo, Jiwon, E-mail: jiwonseo@yonsei.ac.kr [Department of Physics and IPAP, Yonsei University, Seoul 120-749 (Korea, Republic of); Valladares, Luis de los Santos [Cavendish Laboratory, University of Cambridge, J. J Thomson Av., Cambridge CB3 0HE (United Kingdom); Avalos Quispe, O. [Laboratorio de Cerámicos y Nanomateriales, Facultad de Ciencias Físicas, Universidad Nacional Mayor de San Marcos, Ap. Postal 14-0149, Lima, Perú (Peru); Barnes, Crispin H.W. [Cavendish Laboratory, University of Cambridge, J. J Thomson Av., Cambridge CB3 0HE (United Kingdom)

2015-08-15

A new material based on a yellow europium oxide compound was prepared from europium oxide in a high vacuum environment. The structural and magnetic properties of the material were investigated. Owing to the absence of a crystal structure, the material exhibited a disordered magnetic behavior. In a reaction with deionized (DI) water without applied heat, the compound assumed a white color as soon as the DI water reached the powder, and the structure became polycrystalline Eu(OH){sub 3}. The magnetic properties, such as the thermal hysteresis, disappeared after the reaction with DI water, and the magnetic susceptibility of the yellow oxide compound weakened. The magnetic properties of Eu(OH){sub 3} were also examined. Although Eu{sup 3+} is present in Eu(OH){sub 3}, a high magnetic moment due to the crystal field effect was observed. - Graphical abstract: (top left) Optical image of the yellow europium oxide compound. (top right) Optical image of the product of DI water and yellow europium oxide. (bottom) Magnetization curves as a function of temperature measured in various magnetic field. - Highlights: • We prepared a new material based on a yellow europium oxide compound from europium oxide. • We characterized the magnetic properties of the material which exhibits a disordered magnetic behavior such as thermal hysteresis. • The compound turned white (Eu(OH){sub 3}) as soon as the DI water reached the powder. • The thermal hysteresis disappeared after the reaction with DI water and the magnetic susceptibility of the yellow oxide compound weakened.

Layered multinary lanthanum oxide [La-Mo-O]; Sojo rantan fukugo sankabutsu ni kansuru kenkyu

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-10-31

Studies have been carried out systematically on properties of oxides including representative transition metal, vanadium, and alkali metals. With respect to Ln2CuO4 (Ln is a rare earth element) being a simple and representative rare earth multinary oxide showing superconductivity, and its related compounds, this paper reports thermal chemistry, superconduction, and making them a superconductor by using soft chemical treatment. The paper also reports centrally on synthesis of new copper oxide superconductors under high pressure, the compositions, structures, superconductive properties of the synthetics, and the relationship between them. It describes phase equilibrium, synthesis, and structures of vanadium multinary oxides being the object of continued studies, and also reports the studies related to structure and phase transfer of NaV6O11 which shows especially interesting properties among the oxides. Studies have also been made on NMR of these compounds and copper oxide superconductors by using magnetic resonance. The paper also describes a method to analyze the structure of quasi-crystal having rotary symmetry which is not allowed in crystals, and has special long-distance order phase. 209 refs., 127 figs., 6 tabs.

Evaluation of the suspening property of Grewia gum in zinc oxide ...

African Journals Online (AJOL)

The suspending property of grewia gum in zinc oxide suspension was evaluated. The gum was extracted by maceration, filtration, precipitation and drying techniques. It was used at 0.3 to 1% w/v as a suspending agent for zinc oxide. Sodiumcarboxymethylcellulose (SCMC) and tragacanth were used as basis for ...

Kinetic analyses on startup and shutdown chemistry of BWR plant

International Nuclear Information System (INIS)

Domae, Masafumi; Fujiwara, Kazutoshi; Inagaki, Hiromitsu

2012-09-01

During startup and shutdown of Boiling Water Reactor (BWR) plants, temperature and dissolved oxygen (DO) concentration of reactor water change in a wide range. The changes result in variation of conductivity and pH of the reactor water. It has been speculated that the water chemistry change is due to dissolution of the oxides on fuel claddings and structural materials. However, detailed mechanism is not known. In the present paper, trend of recent water chemistry in several BWR plants during startup and shutdown is presented. Conductivity and pH are convenient indication of coolant purity. We tried to clarify the mechanism of the change in the conductivity and the pH value during startup and shutdown, based on the water chemistry data measured. In the water chemistry data, change in chromate concentration and Ni 2+ concentration is rather large. It is assumed that change in the chromate concentration and the Ni 2+ concentration results in the time variation of the conductivity and the pH value. It is reasonable to consider that the increase in the chromate concentration and the Ni 2+ concentration is ascribed to dissolution of Cr oxides and Ni oxides, respectively. A model of dissolution of the Cr oxides and the Ni oxides is proposed. A concept of finite inventory of the Cr oxides and the Ni oxides in the coolant system is introduced. The model is as follows. Chromate is generated by oxidation of the Cr oxides and the Cr dissolution rate depends on the DO concentration. The dissolution rate of chromate is in proportion to DO concentration, the inventory of Cr and difference between solubility limit and the chromate concentration. On the other hand, Ni 2+ is formed by dissolution of the Ni oxides, and DO is not necessary in this process. The dissolution rate of Ni 2+ is in proportion to the inventory of Ni and difference between solubility limit and the Ni 2+ concentration. Coolant is continuously purified, and the chromate concentration and the Ni 2+ concentration

Comparison of three methods to examine antibacterial efficacy of graphene oxide

International Nuclear Information System (INIS)

Lu Min; Zhang Huan; Zhu Ying; Huang Qing; Zhao Yun

2012-01-01

Graphene, a novel two-dimensional nanomaterial of sp 2 -bonded carbon atoms, has interested researchers in physics, chemistry and materials, because of its excellent electronic, optical and mechanical properties. And biological applications of graphene and its derivatives have been in rapid growth. The antibacterial activity of graphene oxide is always a hot topic. In this paper: we study antibacterial activity of graphene oxide (GO) by inhibition zone assay, turbidity estimation by spectrophotometer and plate count method, respectively. The results show that just GO exhibits antimicrobial activity via just the plate count method, with an inhibitory rate of about 80%. Owing to the physicochemical properties of GO, we believe that the plate count method can be used for detecting antimicrobial activity of GO. (authors)

Aerosol composition, oxidation properties, and sources in Beijing: results from the 2014 Asia-Pacific Economic Cooperation summit study

Science.gov (United States)

Xu, W. Q.; Sun, Y. L.; Chen, C.; Du, W.; Han, T. T.; Wang, Q. Q.; Fu, P. Q.; Wang, Z. F.; Zhao, X. J.; Zhou, L. B.; Ji, D. S.; Wang, P. C.; Worsnop, D. R.

2015-12-01

The mitigation of air pollution in megacities remains a great challenge because of the complex sources and formation mechanisms of aerosol particles. The 2014 Asia-Pacific Economic Cooperation (APEC) summit in Beijing serves as a unique experiment to study the impacts of emission controls on aerosol composition, size distributions, and oxidation properties. Herein, a high-resolution time-of-flight aerosol mass spectrometer was deployed in urban Beijing for real-time measurements of size-resolved non-refractory submicron aerosol (NR-PM1) species from 14 October to 12 November 2014, along with a range of collocated measurements. The average (±σ) PM1 was 41.6 (±38.9) μg m-3 during APEC, which was decreased by 53 % compared with that before APEC. The aerosol composition showed substantial changes owing to emission controls during APEC. Secondary inorganic aerosol (SIA: sulfate + nitrate + ammonium) showed significant reductions of 62-69 %, whereas organics presented much smaller decreases (35 %). The results from the positive matrix factorization of organic aerosol (OA) indicated that highly oxidized secondary organic aerosol (SOA) showed decreases similar to those of SIA during APEC. However, primary organic aerosol (POA) from cooking, traffic, and biomass-burning sources were comparable to those before APEC, indicating the presence of strong local source emissions. The oxidation properties showed corresponding changes in response to OA composition. The average oxygen-to-carbon level during APEC was 0.36 (±0.10), which is lower than the 0.43 (±0.13) measured before APEC, demonstrating a decrease in the OA oxidation degree. The changes in size distributions of primary and secondary species varied during APEC. SIA and SOA showed significant reductions in large accumulation modes with peak diameters shifting from ~ 650 to 400 nm during APEC, whereas those of POA remained relatively unchanged. The changes in aerosol composition, size distributions, and oxidation

Aerosol composition, oxidative properties, and sources in Beijing: results from the 2014 Asia-Pacific Economic Cooperation Summit study

Science.gov (United States)

Xu, W. Q.; Sun, Y. L.; Chen, C.; Du, W.; Han, T. T.; Wang, Q. Q.; Fu, P. Q.; Wang, Z. F.; Zhao, X. J.; Zhou, L. B.; Ji, D. S.; Wang, P. C.; Worsnop, D. R.

2015-08-01

The mitigation of air pollution in megacities remains a great challenge because of the complex sources and formation mechanisms of aerosol particles. The 2014 Asia- Pacific Economic Cooperation (APEC) summit in Beijing serves as a unique experiment to study the impacts of emission controls on aerosol composition, size distributions, and oxidative properties. Herein, a high-resolution time-of-flight aerosol mass spectrometer was deployed in urban Beijing for real-time measurements of size-resolved non-refractory submicron aerosol (NR-PM1) species from 14 October to 12 November 2014, along with a range of collocated measurements. The average (±σ) PM1 was 41.6 (±38.9) μg m-3 during APEC, which was decreased by 53 % compared with that before APEC. The aerosol composition showed substantial changes owing to emission controls during APEC. Secondary inorganic aerosols (SIA = sulfate + nitrate + ammonium) showed significant reductions of 62-69 %, whereas organics presented much smaller decreases (35 %). The results from the positive matrix factorization of organic aerosols (OA) indicated that highly oxidized secondary OA (SOA) showed decreases similar to those of SIA during APEC. However, primary OA (POA) from cooking, traffic, and biomass burning sources were comparable to those before APEC, indicating the presence of strong local source emissions. The oxidation properties showed corresponding changes in response to OA composition. The average oxygen-to-carbon level during APEC was 0.36 (±0.10), which is lower than the 0.43 (±0.13) measured before APEC, demonstrating a decrease in the OA oxidation degree. The changes in size distributions of primary and secondary species varied during APEC. SIA and SOA showed significant reductions in large accumulation modes with peak diameters shifting from ~ 650 to 400 nm during APEC, whereas those of POA remained relatively unchanged. The changes in aerosol composition, size distributions, and oxidation degrees during the aging

Studies of the chemistry of transuranium elements and technetium at the Institute of Physical Chemistry, Russian Academy of Sciences, supported by the US Department of Energy

International Nuclear Information System (INIS)

Peretrukhin, V.F.

1995-04-01

Studies at Hanford in the 1980s revealed the potential for actinides to form stable soluble complexes in alkaline media, simulating radioactive tank waste. Pu(IV) hydrous oxide and Pu(VI) solubility increased with hydroxide concentration, ionic strength, and aluminate/carbonate concentrations. Subsequent contacts between US and Russian researchers in 1993 led to a technical literature review of the chemistry of TRU and Tc in alkaline media; this review addresses oxidation states, solubility, speciation, redox reactions, electrochemistry, radiation chemistry, and separations in alkaline media. As an outgrowth, a program of fundamental and applied chemistry studies of TRU and Tc is being conducted at IPC/RAS with US DOE support: solubility, redox reagents, coprecipitation, and radiation chemistry. This overview provides information on the Hanford Site tank waste system, US DOE technological needs, and IPC/RAS developments

Review of Fabrication Methods, Physical Properties, and Applications of Nanostructured Copper Oxides Formed via Electrochemical Oxidation

Directory of Open Access Journals (Sweden)

Wojciech J. Stepniowski

2018-05-01

Full Text Available Typically, anodic oxidation of metals results in the formation of hexagonally arranged nanoporous or nanotubular oxide, with a specific oxidation state of the transition metal. Recently, the majority of transition metals have been anodized; however, the formation of copper oxides by electrochemical oxidation is yet unexplored and offers numerous, unique properties and applications. Nanowires formed by copper electrochemical oxidation are crystalline and composed of cuprous (CuO or cupric oxide (Cu2O, bringing varied physical and chemical properties to the nanostructured morphology and different band gaps: 1.44 and 2.22 eV, respectively. According to its Pourbaix (potential-pH diagram, the passivity of copper occurs at ambient and alkaline pH. In order to grow oxide nanostructures on copper, alkaline electrolytes like NaOH and KOH are used. To date, no systemic study has yet been reported on the influence of the operating conditions, such as the type of electrolyte, its temperature, and applied potential, on the morphology of the grown nanostructures. However, the numerous reports gathered in this paper will provide a certain view on the matter. After passivation, the formed nanostructures can be also post-treated. Post-treatments employ calcinations or chemical reactions, including the chemical reduction of the grown oxides. Nanostructures made of CuO or Cu2O have a broad range of potential applications. On one hand, with the use of surface morphology, the wetting contact angle is tuned. On the other hand, the chemical composition (pure Cu2O and high surface area make such materials attractive for renewable energy harvesting, including water splitting. While compared to other fabrication techniques, self-organized anodization is a facile, easy to scale-up, time-efficient approach, providing high-aspect ratio one-dimensional (1D nanostructures. Despite these advantages, there are still numerous challenges that have to be faced, including the

The electronic and optical properties of warm dense nitrous oxide using quantum molecular dynamics simulations

International Nuclear Information System (INIS)

Zhang Yujuan; Wang Cong; Zhang Ping

2012-01-01

First-principles molecular-dynamics simulations based on density-functional theory have been used to study the electronic and optical properties of fluid nitrous oxide under extreme conditions. Systematic descriptions of pair-correlation function, atomic structure, and the charge density distribution are used to investigate the dissociation of fluid nitrous oxide. The electrical and optical properties are derived from the Kubo-Greenwood formula. It is found that the nonmetal-metal transition for fluid nitrous oxide can be directly associated to the dissociation and has significant influence on the optical properties of the fluid.

The Origin of Hierarchical Structure in Self-Assembled Graphene Oxide Papers and the Effect on Mechanical Properties

Science.gov (United States)

Nandy, Krishanu

The quest for new materials with ever improving properties has motivated interest in bulk nanostructured materials. Graphene, a two-dimensional sheet of hexagonally arranged carbon atoms, has been of particular interest given its exceptional mechanical, thermal, optical and electrical properties. Graphene oxide is a chemically modified form of graphene in which the honeycomb lattice of carbon atoms is decorated with oxygen bearing functional groups. Graphene oxide represents a facile route for the production of large quantities of graphene based materials, is stable in aqueous and polar organic solvents and has the potential for further chemical modification. In this dissertation, the origin and influence of hierarchical structure on the mechanical properties of graphene oxide paper and graphene oxide paper based materials has been investigated. Free-standing papers derived from graphene oxide are of interest as structural materials due to their impressive mechanical properties. While studies have investigated the mechanical properties of graphene oxide papers, little is known about the formation mechanism. Using a series of flash-freezing experiments on graphene oxide papers undergoing formation, a stop-motion animation of the fabrication process was obtained. The results explain the origin of the hierarchical nature of graphene oxide papers and provide a method for the tailoring of graphene oxide based materials. An in depth study of fusion of graphene oxide papers demonstrates a simple single-step route for the fabrication of practical materials derived from graphene oxide papers. Fused papers retain the properties of constituent papers allowing for the fabrication of mechanical heterostructures that replicate the hierarchical nature of natural materials. The contribution of the hierarchical nature of graphene oxide papers to the mechanical properties was examined by comparing papers formed by two different mechanisms. The intermediate length scale structures

Study for drifts of the oxidation in nitrous oxide of an activated coal

International Nuclear Information System (INIS)

Diaz Velasquez; Jose de Jesus; Carballo Suarez, Luis M; Freitas, Madalena; Farias, Joaquim Luis Faria; Figueiredo, Jose Luis

2001-01-01

In order to obtain materials with different surface properties, an activated carbon was modified by thermal treatment with 20% of nitrous oxide in nitrogen at 500 centigrade degrees, for different periods of time, and also with 5 % of oxygen in nitrogen at 425 centigrade degrees for 600 minutes and 100% of hydrogen at 950 centigrade degrees for 360 minutes. Drifts were used to characterize the surface chemistry of the material treated. The qualitative result s show that the treatments with N2O have larger effects on the intensity of the surface groups. These changes could be associated to the incorporation of nitrogen into the carbon matrix. In agreement with literature reports, it could be said that the gas phase oxidation of the activated carbon shows mainly superficial groups such as carboxylic anhydrides, phenols and carboxylates, lactones and quinones

Advances in computational actinide chemistry in China

Energy Technology Data Exchange (ETDEWEB)

Wang, Dongqi; Wu, Jingyi; Chai, Zhifang [Chinese Academy of Sciences, Beijing (China). Multidisciplinary Initiative Center; Su, Jing [Chinese Academy of Sciences, Shanghai (China). Div. of Nuclear Materials Science and Engineering; Li, Jun [Tsinghua Univ., Beijing (China). Dept. of Chemistry and Laboratory of Organic Optoelectronics and Molecular Engineering

2014-04-01

The advances in computational actinide chemistry made in China are reviewed. Several areas relevant to chemistry of actinides in gas, liquid, and solid phases have been explored. However, we limit the scope to selected contributions in the chemistry of molecular actinide systems in gas and liquid phases. These studies may be classified into two categories: treatment of relativistic effects, which cover the development of two- and four-component Hamiltonians and the optimization of relativistic pseudopotentials, and the applications of theoretical methods in actinide chemistry. The applications include (1) the electronic structures of actinocene, noble gas complexes, An-C multiple bonding compounds, uranyl and its isoelectronic species, fluorides and oxides, molecular systems with metal-metal bonding in their isolated forms (U{sub 2}, Pu{sub 2}) and in fullerene (U{sub 2} rate at C{sub 60}), and the excited states of actinide complexes; (2) chemical reactions, including oxidation, hydrolysis of UF{sub 6}, ligand exchange, reactivities of thorium oxo and sulfido metallocenes, CO{sub 2}/CS{sub 2} functionalization promoted by trivalent uranium complex; and (3) migration of actinides in the environment. A future outlook is discussed. (orig.)

Development of Iridium Solid-state Reference Electrode for the Water Chemistry Status Measurement in Nuclear Power Plants

International Nuclear Information System (INIS)

Ku, Heekwon; Lim, Dongseok; Cho, Jaeseon

2013-01-01

The result of ECP measurement of piping material in nuclear power plant at low temperature using the developed iridium (SSRE) reference electrode is approximately -0.370V. Based on the various results of this study, the developed iridium (SSRE) reference electrode can be applied to the water chemistry environments of nuclear power plant. Various metallic materials used in a nuclear power plant have been exposed to a variety of water chemistry environments and the corrosion of metallic materials occurs due to the reactions between metal structures and water chemistry environments. Therefore, the management of the water chemistry factors is needed to prevent corrosion. The chemical factors affecting the corrosion are pH and Electrochemical Corrosion Potential (ECP). The world-wide studies suggest that ECP and pH are effective indicators for preventing the material damage from water chemistry condition. ECP and pH should be measured as the reference electrodes, and should show stable potential characteristics with fast responses. In this study, the iridium reference electrodes using a solid-state metal oxide electrode has been developed to measure effective indicators such as ECP and pH. The iridium (SSRE) reference electrode for the ECP measurement in water chemistry environment of nuclear power plants has been developed. A calibration for water chemistry measurement was performed by potential measurement of iridium (SSRE) reference electrode with Ag/AgCl (SSRE) reference electrode. The result exhibited a stable potential for 117 hours and a super-Nernst ian response with 63.12mV/p H. In this study, the iridium (SSRE) reference electrode shows super-Nernst ian characteristic and it may be caused by the property of electrolytically coated iridium oxide. Considering the long-term stability of the developed electrode, it is possible to apply as a reference electrode through calibration procedure

Effect of tungsten doping on catalytic properties of niobium oxide

Energy Technology Data Exchange (ETDEWEB)

Cardoso, Franciane P.; Nogueira, Andre E. [Departamento de Quimica, Universidade Federal de Lavras, Lavras-MG (Brazil); Patricio, Patricia S.O., E-mail: patriciapatricio@cefetmg.br [Centro Federal de Educacao Tecnologica, CEFET, Belo Horizonte, MG (Brazil); Oliveira, Luiz C.A. [Departamento de Quimica, ICEx, Universidade Federal de Minas Gerais, Belo Horizonte, MG (Brazil)

2012-04-15

A novel material based on niobia (Nb{sub 2}O{sub 5}) was synthesized to oxidize an organic compound in aqueous medium in the presence of H{sub 2}O{sub 2} after chemical modifications. Niobia was modified by doping with tungsten and also treating with H{sub 2}O{sub 2} in order to maximize the oxidative properties of this oxide. The analysis of the products from methylene blue dye oxidation with electro spray ionization mass spectrometry (ESI-MS) showed that the dye was successively oxidized to different intermediate compounds. The successive hydroxylation during this oxidation strongly suggests that highly reactive hydroxyl radicals are generated involving H{sub 2}O{sub 2} on the W-doped niobia grain surface. These results strongly suggest that the H{sub 2}O{sub 2} can regenerate in situ the peroxo group remaining active the system. (author)

32nd National Medicinal Chemistry Symposium--medicinal chemistry developments for neurodegeneration, diabetes and cancer.

Science.gov (United States)

Gater, Deborah

2010-08-01

The 32nd National Medicinal Chemistry Symposium, held in Minneapolis, MN, USA, included topics covering new developments in the field of medicinal chemistry. This conference report highlights selected presentations on NR2B subtype-selective NMDA receptor antagonists from Merck; selective neuronal nitric oxide synthase inhibitors from Northwestern University; novel GPR119 agonists, suchas GSK-1292263A (GlaxoSmithKline plc), PSN-821 ((OSI) Prosidion) and MBX-2982 (Metabolex Inc); a small-molecule Bcl inhibitor,navitoclax (Abbott Laboratories); and p53-targeting agents from sanofi-aventis and Ascenta Therapeutics Inc, including AT-219.

Comparative supercapacitive properties of asymmetry two electrode coin type supercapacitor cells made from MWCNTs/cobalt oxide and MWCNTs/iron oxide nanocomposite

CSIR Research Space (South Africa)

Adekunle, AS

2015-04-01

Full Text Available Supercapacitive properties of synthesized metal oxide nanoparticles (MO) vis a vis iron oxides (Fe(sub2)O(sub3)) and cobalt oxide (Co(sub3)O(sub4)) nanoparticles integrated with multi-walled carbon nanotubes (MWCNT) in a two-electrode coin cell type...

Zinc oxide nanostructures: new properties for advances applications

International Nuclear Information System (INIS)

Lupan, Oleg; Chow, Lee; Pauporte, Thierry

2011-01-01

Zinc oxide is a material which exhibits a variety of new properties at nanometer dimensions. Various synthesis techniques have been carried out to provide growth of nanowires, nanorods, nanorings, nanosprings, and nanobelts of ZnO under various conditions. These nanostructures show that ZnO possesses probably the richest family of nanoarchitectures among all materials, including their structures and properties. Such nanoarchitectures are potential building blocks for novel applications in optoelectronics, sensors, photovoltaic and nano-biomedical sciences. This work presents a review of various nano architectures of ZnO grown by the electrochemical, hydrothermal and solid-vapor phase techniques and their properties. The possible applications of ZnO nanowires as sensors, nano-DSSC, photodetectors and nano-LEDs will be presented.

Biogenesis of Selenium Nanoparticles Using Green Chemistry.

Science.gov (United States)

Shoeibi, Sara; Mozdziak, Paul; Golkar-Narenji, Afsaneh

2017-11-09

Selenium binds some enzymes such as glutathione peroxidase and thioredoxin reductase, which may be activated in biological infections and oxidative stress. Chemical and physical methods for synthesizing nanoparticles, apart from being expensive, have their own particular risks. However, nanoparticle synthesis through green chemistry is a safe procedure that different biological sources such as bacteria, fungi, yeasts, algae and plants can be the catalyst bed for processing. Synthesis of selenium nanoparticles (SeNPs) by macro/microorganisms causes variation in morphology and shape of the particles is due to diversity of reduction enzymes in organisms. Reducing enzymes of microorganisms by changing the status of redox convert metal ions (Se 2- ) to SeNPs without charge (Se 0 ). Biological activity of SeNPs includes their protective role against DNA oxidation. Because of the biological and industrial properties, SeNPs have wide applications in the fields of medicine, microelectronic, agriculture and animal husbandry. SeNPs can show strong antimicrobial effects on the growth and proliferation of microorganisms in a dose-dependent manner. The objective of this review is to consider SeNPs applications to various organisms.

Mössbauer spectroscopy: applications in chemistry, biology, industry, and nanotechnology

National Research Council Canada - National Science Library

Sharma, Virender K; Klingelhofer, Gostar; Nishida, Tetsuaki

2013-01-01

"A one-stop reference for determining the oxidation states of elements so that oxidation eduction chemistry can be studied across a wide variety of systems, this book presents advances in the field...

Chemistry control challenges in a supercritical water-cooled reactor

International Nuclear Information System (INIS)

Guzonas, David; Tremaine, Peter; Jay-Gerin, Jean-Paul

2009-01-01

The long-term viability of a supercritical water-cooled reactor (SCWR) will depend on the ability of designers to predict and control water chemistry to minimize corrosion and the transport of corrosion products and radionuclides. Meeting this goal requires an enhanced understanding of water chemistry as the temperature and pressure are raised beyond the critical point. A key aspect of SCWR water chemistry control will be mitigation of the effects of water radiolysis; preliminary studies suggest markedly different behavior than that predicted from simple extrapolations from conventional water-cooled reactor behavior. The commonly used strategy of adding excess hydrogen at concentrations sufficient to suppress the net radiolytic production of primary oxidizing species may not be effective in an SCWR. The behavior of low concentrations of impurities such as transition metal corrosion products, chemistry control agents, anions introduced via make-up water or from ion-exchange resins, and radionuclides (e.g., 60 Co) needs to be understood. The formation of neutral complexes increases with temperature, and can become important under near-critical and supercritical conditions; the most important region is from 300-450 C, where the properties of water change dramatically, and solvent compressibility effects exert a huge influence on solvation. The potential for increased transport and deposition of corrosion products (active and inactive), leading to (a) increased deposition on fuel cladding surfaces, and (b) increased out-of-core radiation fields and worker dose, must be assessed. There are also significant challenges associated with chemistry sampling and monitoring in an SCWR. The typical methods used in current reactor designs (grab samples, on-line monitors at the end of a cooled, depressurized sample line) will be inadequate, and in-situ measurements of key parameters will be required. This paper describes current Canadian activities in SCWR chemistry and chemistry

Tropical fruit camu-camu (Myrciaria dubia) has anti-oxidative and anti-inflammatory properties.

Science.gov (United States)

Inoue, Teruo; Komoda, Hiroshi; Uchida, Toshihiko; Node, Koichi

2008-10-01

Oxidative stress as well as inflammation plays a pivotal role in the pathogenesis of atherosclerosis. Although, various anti-oxidative dietary supplements have been evaluated for their ability to prevent atherosclerosis, no effective ones have been determined at present. "Camu-camu" (Myrciaria dubia) is an Amazonian fruit that offers high vitamin C content. However, its anti-oxidative property has not been evaluated in vivo in humans. To assess the anti-oxidative and anti-inflammatory properties of camu-camu in humans, 20 male smoking volunteers, considered to have an accelerated oxidative stress state, were recruited and randomly assigned to take daily 70 ml of 100% camu-camu juice, corresponding to 1050 mg of vitamin C (camu-camu group; n=10) or 1050 mg of vitamin C tablets (vitamin C group; n=10) for 7 days. After 7 days, oxidative stress markers such as the levels of urinary 8-hydroxy-deoxyguanosine (P<0.05) and total reactive oxygen species (P<0.01) and inflammatory markers such as serum levels of high sensitivity C reactive protein (P<0.05), interleukin (IL)-6 (P<0.05), and IL-8 (P<0.01) decreased significantly in the camu-camu group, while there was no change in the vitamin C group. Our results suggest that camu-camu juice may have powerful anti-oxidative and anti-inflammatory properties, compared to vitamin C tablets containing equivalent vitamin C content. These effects may be due to the existence of unknown anti-oxidant substances besides vitamin C or unknown substances modulating in vivo vitamin C kinetics in camu-camu.

Dynamic combinatorial libraries : new opportunities in systems chemistry

NARCIS (Netherlands)

Hunt, Rosemary A. R.; Otto, Sijbren; Hunt, Rosemary A.R.

2011-01-01

Combinatorial chemistry is a tool for selecting molecules with special properties. Dynamic combinatorial chemistry started off aiming to be just that. However, unlike ordinary combinatorial chemistry, the interconnectedness of dynamic libraries gives them an extra dimension. An understanding of

Combustion chemistry - activities in the CHEK research programme

Energy Technology Data Exchange (ETDEWEB)

Dam-Johansen, K.; Johnsson, J.E.; Glarborg, P.; Frandsen, F.; Jensen, A.; Oestberg, M. [Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemical Engineering

1997-10-01

The combustion chemistry in the oxidation of fossil fuels and biofuels determines together with mixing and heat transfer the required size of a furnace, the emission of gaseous pollutants, and the formation of ash and deposits on surfaces. This presentation describes technologies for solid fuels combustion and gives a summary of the fuels, the pollutant chemistry and the inorganic chemistry in combustion processes. Emphasis is put on the work carried out in the CHEC (Combustion and Harmful Emission Control) Research Programme. (orig.)

Chemical linkage to injected tissues is a distinctive property of oxidized avidin.

Directory of Open Access Journals (Sweden)

Rita De Santis

Full Text Available We recently reported that the oxidized avidin, named AvidinOX®, resides for weeks within injected tissues as a consequence of the formation of Schiff's bases between its aldehyde groups and tissue protein amino groups. We also showed, in a mouse pre-clinical model, the usefulness of AvidinOX for the delivery of radiolabeled biotin to inoperable tumors. Taking into account that AvidinOX is the first oxidized glycoprotein known to chemically link to injected tissues, we tested in the mouse a panel of additional oxidized glycoproteins, with the aim of investigating the phenomenon. We produced oxidized ovalbumin and mannosylated streptavidin which share with avidin glycosylation pattern and tetrameric structure, respectively and found that neither of them linked significantly to cells in vitro nor to injected tissues in vivo, despite the presence of functional aldehyde groups. The study, extended to additional oxidized glycoproteins, showed that the in vivo chemical conjugation is a distinctive property of the oxidized avidin. Relevance of the high cationic charge of avidin into the stable linkage of AvidinOX to tissues is demonstrated as the oxidized acetylated avidin lost the property. Plasmon resonance on matrix proteins and cellular impedance analyses showed in vitro that avidin exhibits a peculiar interaction with proteins and cells that allows the formation of highly stable Schiff's bases, after oxidation.

Computational Chemistry Comparison and Benchmark Database

Science.gov (United States)

SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)   The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.

The effect of the atmosphere on the optical properties of as-synthesized colloidal indium tin oxide

International Nuclear Information System (INIS)

Capozzi, Charles J; Joshi, Salil; Gerhardt, Rosario A; Ivanov, Ilia N

2009-01-01

The optical properties of indium tin oxide (ITO) have often been explored when it is in the form of deposited thin films. In this study, a colloidal chemistry approach is taken to investigate the influence of the atmosphere on the optical properties of ITO nanoparticles. X-ray diffraction (XRD), transmission electron microscopy (TEM), absorption spectroscopy and photoluminescence (PL) were used to characterize colloidal ITO samples, synthesized under aerated and inert conditions, with the same composition. In both cases, the ITO can be completely dispersed in a non-polar solvent without any evidence of agglomeration. For the ITO made in air, the nanoparticle-solvent solution exhibits a pale green color, and XRD and TEM indicate an average particle size of ∼7 nm and small shrinkage in the lattice structure. When the ITO is synthesized under inert conditions, the solution turns blue, and XRD and TEM indicate an average particle size of ∼8 nm and even less strain in the lattice than for the ITO synthesized under aerated conditions. The change in color and lattice strain is attributed to the difference in oxygen vacancy concentration for the ITO nanoparticles synthesized under aerated and inert conditions, which exhibit different optical band gap values of 3.89 eV and 4.05 eV, respectively. Our work here shows that thin film deposition or sintering steps may not be required for studying the optical properties of as-synthesized ITO nanoparticles.

Antimicrobial Properties of an Oxidizer Produced by Burkholderia cenocepacia P525

Science.gov (United States)

A compound with both oxidizing properties and antibiotic properties was extracted and purified from broth cultures of Burkholderia cenocepacia strain P525. A four step purification procedure was used to increase its specific activity ~ 400 fold and to yield a HPLC- UV chromatogram containing a sing...

Soft chemistry routes for synthesis of rare earth oxide nanoparticles with well defined morphological and structural characteristics

Science.gov (United States)

Mancic, L.; Marinkovic, B. A.; Marinkovic, K.; Dramicanin, M.; Milosevic, O.

2011-11-01

Phosphors of (Y0.75Gd0.25)2O3:Eu3+ (5 at.%) have been prepared through soft chemistry routes. Conversion of the starting nitrates mixture into oxide is performed through two approaches: (a) hydrothermal treatment (HT) at 200 °C/3 h of an ammonium hydrogen carbonate precipitated mixture and (b) by thermally decomposition of pure nitrate precursor solution at 900 °C in dispersed phase (aerosol) within a tubular flow reactor by spray pyrolysis process (SP). The powders are additionally thermally treated at different temperatures: 600, 1000, and 1100 °C for either 3 or 12 h. HT—derived particles present exclusively one-dimensional morphology (nanorods) up to the temperatures of 600 °C, while the leaf-like particles start to grow afterward. SP—derived particles maintain their spherical shape up to the temperatures of 1100 °C. These submicron sized spheres were actually composed of randomly aggregated nanoparticles. All powders exhibits cubic Ia- 3 structure (Y0.75Gd0.25)2O3:Eu and have improved optical characteristics due to their nanocrystalline nature. The detailed study of the influence of structural and morphological powder characteristics on their emission properties is performed based on the results of X-ray powder diffractometry, scanning electron microscopy, X-ray energy dispersive spectroscopy, transmission electron microscopy, and photoluminescence measurements.

Oxide ceramics

International Nuclear Information System (INIS)

Ryshkewitch, E.; Richerson, D.W.

1985-01-01

The book explores single-phase ceramic oxide systems from the standpoint of physical chemistry and technology. This second edition also focuses on advances in technology since publication of the original edition. These include improvements in raw materials and forming and sintering techniques, and the major role that oxide ceramics have had in development of advanced products and processes. The text is divided into five major sections: general fundamentals of oxide ceramics, advances in aluminum oxide technology, advances in zirconia technology, and advances in beryllium oxide technology

Structural and photoluminescent properties of a composite tantalum oxide and silicon nanocrystals embedded in a silicon oxide film

International Nuclear Information System (INIS)

Díaz-Becerril, T.; Herrera, V.; Morales, C.; García-Salgado, G.; Rosendo, E.; Coyopol, A.; Galeazzi, R.; Romano, R.; Nieto-Caballero, F.G.; Sarmiento, J.

2017-01-01

Tantalum oxide crystals encrusted in a silicon oxide matrix were synthesized by using a hot filament chemical vapor deposition system (HFCVD). A solid source composed by a mixture in different percentages of Ta 2 O 5 and silicon (Si) powders were used as reactants. The films were grown at 800 °C and 1000 °C under hydrogen ambient. The deposited films were characterized by X-ray photoelectron spectroscopy (XPS), high-resolution transmission electron microscopy (HRTEM) and photoluminescence (PL) at room temperature. From the XPS results it was confirmed the formation of a mixture of Tantalum oxide, silicon oxide and Si nanoparticles (Ta 2 O 5- SiO 2 -Si(nc)) as seen from the Si (2p) and Ta (4f) lines corresponding to Si + and Ta + states respectively. Ta 2 O 5 and Si nanocrystals (Si-NCs) embedded in the silicon oxide films were observed on HRTEM images which corroborate the XPS results. Finally the emission properties of the films exhibited a broad band from 400 to 850 nm caused by the independent PL properties of tantalum oxide and Si-NCs that compose the film. The intensity of the emissions was observed to be dependent on both temperature of deposition and the ratio Ta 2 O 5 /Si, used as initial reactants. Results from this work might supply useful data for the development of future light emitter devices.

Physiochemical and optical properties of chitosan based graphene oxide bionanocomposite.

Science.gov (United States)

Kumar, Santosh; Koh, Joonseok

2014-09-01

In the present investigation an ecofriendly approach and a simple homogeneous solution casting method led to the development of biodegradable chitosan/graphene oxide bionanocomposites. The formation of bionanocomposite was confirmed by UV-vis, FT-IR, Raman spectroscopy, XRD, and further evaluated by thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The circular dichroism (CD) study of chitosan/graphene oxide revealed that the intensity of the negative transition band at wavelength of 200-222 nm decreased with the different pH of chitosan/graphene oxide solutions. It was also found that the pH conditions affect the interaction between chitosan and graphene oxide. Optical properties of chitosan/graphene oxide are evaluated by photoluminescence (PL) spectroscopy which showed blue shift at excitation wavelength of 255 nm compared to graphene oxide. These results strongly suggest that the bionanocomposite materials may open new vistas in biotechnological, biosensor and biomedical applications. Copyright © 2014 Elsevier B.V. All rights reserved.

Boron nitride ceramics from molecular precursors: synthesis, properties and applications.

Science.gov (United States)

Bernard, Samuel; Salameh, Chrystelle; Miele, Philippe

2016-01-21

Hexagonal boron nitride (h-BN) attracts considerable interest because its structure is similar to that of carbon graphite while it displays different properties which are of interest for environmental and green technologies. The polar nature of the B-N bond in sp(2)-bonded BN makes it a wide band gap insulator with different chemistry on its surface and particular physical and chemical properties such as a high thermal conductivity, a high temperature stability, a high resistance to corrosion and oxidation and a strong UV emission. It is chemically inert and nontoxic and has good environmental compatibility. h-BN also has enhanced physisorption properties due to the dipolar fields near its surface. Such properties are closely dependent on the processing method. Bottom-up approaches consist of transforming molecular precursors into non-oxide ceramics with retention of the structural units inherent to the precursor molecule. The purpose of the present review is to give an up-to-date overview on the most recent achievements in the preparation of h-BN from borazine-based molecular single-source precursors including borazine and 2,4,6-trichloroborazine through both vapor phase syntheses and methods in the liquid/solid state involving polymeric intermediates, called the Polymer-Derived Ceramics (PDCs) route. In particular, the effect of the chemistry, composition and architecture of the borazine-based precursors and derived polymers on the shaping ability as well as the properties of h-BN is particularly highlighted.

Effect of poly(ethylene oxide) homopolymer and two different poly(ethylene oxide-b-poly(propylene oxide)-b-poly(ethylene oxide) triblock copolymers on morphological, optical, and mechanical properties of nanostructured unsaturated polyester.

Science.gov (United States)

Builes, Daniel H; Hernández-Ortiz, Juan P; Corcuera, Ma Angeles; Mondragon, Iñaki; Tercjak, Agnieszka

2014-01-22

Novel nanostructured unsaturated polyester resin-based thermosets, modified with poly(ethylene oxide) (PEO), poly(propylene oxide) (PPO), and two poly(ethylene oxide-b-propylene oxide-b-ethylene oxide) block copolymers (BCP), were developed and analyzed. The effects of molecular weights, blocks ratio, and curing temperatures on the final morphological, optical, and mechanical properties were reported. The block influence on the BCP miscibility was studied through uncured and cured mixtures of unsaturated polyester (UP) resins with PEO and PPO homopolymers having molecular weights similar to molecular weights of the blocks of BCP. The final morphology of the nanostructured thermosetting systems, containing BCP or homopolymers, was investigated, and multiple mechanisms of nanostructuration were listed and explained. By considering the miscibility of each block before and after curing, it was determined that the formation of the nanostructured matrices followed a self-assembly mechanism or a polymerization-induced phase separation mechanism. The miscibility between PEO or PPO blocks with one of two phases of UP matrix was highlighted due to its importance in the final thermoset properties. Relationships between the final morphology and thermoset optical and mechanical properties were examined. The mechanisms and physics behind the morphologies lead toward the design of highly transparent, nanostructured, and toughened thermosetting UP systems.

Contribution from philosophy of chemistry to chemistry education: In a case of ionic liquids as technochemistry

Science.gov (United States)

Mudzakir, Ahmad; Hernani, Widhiyanti, Tuszie; Sudrajat, Devi Pratiwi

2017-08-01

Traditional chemistry education is commonly handing down of concepts, principles, and theories, such as mechanical properties, the relationship between structure and properties as well as chemical structure and chemical bonding theory, to students without engaging them in the processes of chemical inquiry. This practice leads to the lack of opportunity for the students to construct an appropriate understanding of these concepts, principles, and theories. Students are also rarely facilitated in modeling the structure and function of matter themselves. This situation shows that the philosophy of chemistry has not received as much attention from chemistry educators. The main idea of this paper is to embed philosophy of chemistry through the implementation of technochemistry in chemistry education. One of the most interesting and rapidly developing areas of modern chemistry, technologies and engineering is Ionic Liquids (ILs) as an emerging knowledge on technochemistry which can be applied to chemistry education. The developments between academic researchers and industrial developments in the ILs area are conducted in parallel. In order to overcome the existing problems of scientific development in chemistry education, the science and technology of ILs can be used for reconceptualizing the teaching and learning of chemistry to embrace the epistemology in chemistry. This study promises a potential contribution by philosophy of chemistry. The main objectives of this study are to develop: (i) a perspective based on philosophy of science considerations (rational reconstruction) in order to understand ionic liquids and (ii) teaching materials that can be used to enhance pre-service teacher's view of nature of science and technology (VNOST). The method used in the study is analytical-descriptive (elementarization), i.e. the first step in the model of educational reconstruction (MER). This study concludes that the development of the concepts and their applications of ionic

Effect of TEMPO-oxidization and rapid cooling on thermo-structural properties of nanocellulose.

Science.gov (United States)

Mhd Haniffa, Mhd Abd Cader; Ching, Yern Chee; Chuah, Cheng Hock; Yong Ching, Kuan; Nazri, Nik; Abdullah, Luqman Chuah; Nai-Shang, Liou

2017-10-01

Recently, surface functionality and thermal property of the green nanomaterials have received wide attention in numerous applications. In this study, microcrystalline cellulose (MCC) was used to prepare the nanocrystalline celluloses (NCCs) using acid hydrolysis method. The NCCs was treated with TEMPO [(2,2,6,6-tetramethylpiperidin-1-yl)oxy radical]-oxidation to prepare TEMPO-oxidized NCCs. Cellulose nanofibrils (CNFs) also prepared from MCC using TEMPO-oxidation. The effects of rapid cooling and chemical treatments on the thermo-structural property studies of the prepared nanocelluloses were investigated through FTIR, thermogravimetric analysis-derivative thermogravimetric (TGA-DTG), and XRD. A posteriori knowledge of the FTIR and TGA-DTG analysis revealed that the rapid cooling treatment enhanced the hydrogen bond energy and thermal stability of the TEMPO-oxidized NCC compared to other nanocelluloses. XRD analysis exhibits the effect of rapid cooling on pseudo 2 I helical conformation. This was the first investigation performed on the effect of rapid cooling on structural properties of the nanocellulose. Copyright © 2017 Elsevier Ltd. All rights reserved.

Importance of sulfate radical anion formation and chemistry in heterogeneous OH oxidation of sodium methyl sulfate, the smallest organosulfate

Directory of Open Access Journals (Sweden)

K. C. Kwong

2018-02-01

Full Text Available Organosulfates are important organosulfur compounds present in atmospheric particles. While the abundance, composition, and formation mechanisms of organosulfates have been extensively investigated, it remains unclear how they transform and evolve throughout their atmospheric lifetime. To acquire a fundamental understanding of how organosulfates chemically transform in the atmosphere, this work investigates the heterogeneous OH radical-initiated oxidation of sodium methyl sulfate (CH3SO4Na droplets, the smallest organosulfate detected in atmospheric particles, using an aerosol flow tube reactor at a high relative humidity (RH of 85 %. Aerosol mass spectra measured by a soft atmospheric pressure ionization source (direct analysis in real time, DART coupled with a high-resolution mass spectrometer showed that neither functionalization nor fragmentation products are detected. Instead, the ion signal intensity of the bisulfate ion (HSO4− has been found to increase significantly after OH oxidation. We postulate that sodium methyl sulfate tends to fragment into a formaldehyde (CH2O and a sulfate radical anion (SO4 ⋅ − upon OH oxidation. The formaldehyde is likely partitioned back to the gas phase due to its high volatility. The sulfate radical anion, similar to OH radical, can abstract a hydrogen atom from neighboring sodium methyl sulfate to form the bisulfate ion, contributing to the secondary chemistry. Kinetic measurements show that the heterogeneous OH reaction rate constant, k, is (3.79 ± 0.19  ×  10−13 cm3 molecule−1 s−1 with an effective OH uptake coefficient, γeff, of 0.17 ± 0.03. While about 40 % of sodium methyl sulfate is being oxidized at the maximum OH exposure (1.27  ×  1012 molecule cm−3 s, only a 3 % decrease in particle diameter is observed. This can be attributed to a small fraction of particle mass lost via the formation and volatilization of formaldehyde. Overall, we

Microstructure and Mechanical Properties of Graphene Oxide/Copper Composites

Directory of Open Access Journals (Sweden)

HONG Qi-hu

2016-09-01

Full Text Available Graphene oxide/copper (GO/Cu composites were successfully synthesized through the ball milling and vacuum hot press sintering process. The morphologies of the mixture powders, and the microstructure and mechanical properties of GO/Cu composites were investigated by OM, SEM, XRD, hardness tester and electronic universal testing machine, respectively. The results show that the GO/Cu composites are compact. Graphene oxide with flake morphology is uniformly dispersed and well consolidated with copper matrix. When the mass fraction of graphene oxide is 0.5%, the microhardness and compress strength at RT reach up to 63HV and 276MPa, increased by 8.6% and 28%, respectively. The strengthening mechanism is load transfer effect, dislocation strengthening and fine crystal reinforcing.

Gamma-radiolytic preparation of multi-component oxides

Czech Academy of Sciences Publication Activity Database

Procházková, L.; Bárta, J.; Čuba, V.; Ekberg, C.; Tietze, S.; Jakubec, Ivo

2016-01-01

Roč. 124, JUL (2016), s. 68-74 ISSN 0969-806X. [Tihany Symposium on Radiation Chemistry /13./. Balatonalmadi, 29.08.2015-03.09.2015] Institutional support: RVO:61388980 Keywords : Radiation synthesis * Inorganic oxide * Zinc oxide * Synthetic garnet * X-ray diffraction Subject RIV: CA - Inorganic Chemistry Impact factor: 1.315, year: 2016

Thermal properties of graphite oxide, thermally reduced graphene and chemically reduced graphene

Science.gov (United States)

Jankovský, Ondřej; Sedmidubský, David; Lojka, Michal; Sofer, Zdeněk

2017-07-01

We compared thermal behavior and other properties of graphite oxide, thermally reduced graphene and chemically reduced graphene. Graphite was oxidized according to the Hofmann method using potassium chlorate as oxidizing agent in strongly acidic environment. In the next step, the formed graphite oxide was chemically or thermally reduced yielding graphene. The mechanism of thermal reduction was studied using STA-MS. Graphite oxide and both thermally and chemically reduced graphenes were analysed by SEM, EDS, elemental combustion analysis, XPS, Raman spectroscopy, XRD and BET. These findings will help for the large scale production of graphene with appropriate chemical composition.

Graphene oxide powders with different oxidation degree, prepared by synthesis variations of the Hummers method

International Nuclear Information System (INIS)

Guerrero-Contreras, Jesus; Caballero-Briones, F.

2015-01-01

Graphene oxide (GO) powders with different oxidation degree estimated through the relative intensity of the infrared absorption bands related to oxygen containing groups were prepared through variations of the Hummers method. The GO powders were analyzed by Transmission Electron Microscopy, Energy dispersive spectroscopy, X-ray Photoelectron Spectroscopy, Fourier Transform Infrared Spectroscopy, Raman spectroscopy, X-ray Diffraction, UV–VIS spectroscopy and Electrical Resistance measurements. Several square micron GO sheets with low wrinkling were obtained. Oxygen to carbon ratio is around 0.2 in all the samples although a strong variance in the relative intensity of the oxygen related infrared bands is evident. Thus, the oxidation degree was estimated from the FTIR measurements using the quotient between the C–O related bands area to the total area under the spectra. FTIR shows presence of hydroxyl (–OH), epoxy (C–O–C), carboxyl (–COOH) and carbonyl (C=O) moieties and evidence of intermolecular interactions between adjacent groups. These interactions influence the exfoliation degree, the absorbance of the GO suspensions, as well as the electrical resistance, while the crystalline domain sizes, estimated from XRD and Raman do not show a noticeable behavior related with the composition and molecular structure. The results indicate that the electrical resistance is influenced mainly by the surface chemistry of the GO powders and not only by the O/C ratio. The control of the surface chemistry of GO powders would allow their use as additives in organic bulk heterojunction solar cells with enhanced photoconversion efficiency. - Highlights: • Powders of graphene oxide with different oxidation degree were prepared through variations of the Hummers method. • Raman spectroscopy and XRD demonstrated similar crystallite domain size in the samples. • Electrical resistance, exfoliation degree and optical absorption depend on the molecular structure. �

Graphene oxide powders with different oxidation degree, prepared by synthesis variations of the Hummers method

Energy Technology Data Exchange (ETDEWEB)

Guerrero-Contreras, Jesus; Caballero-Briones, F., E-mail: fcaballero@ipn.mx

2015-03-01

Graphene oxide (GO) powders with different oxidation degree estimated through the relative intensity of the infrared absorption bands related to oxygen containing groups were prepared through variations of the Hummers method. The GO powders were analyzed by Transmission Electron Microscopy, Energy dispersive spectroscopy, X-ray Photoelectron Spectroscopy, Fourier Transform Infrared Spectroscopy, Raman spectroscopy, X-ray Diffraction, UV–VIS spectroscopy and Electrical Resistance measurements. Several square micron GO sheets with low wrinkling were obtained. Oxygen to carbon ratio is around 0.2 in all the samples although a strong variance in the relative intensity of the oxygen related infrared bands is evident. Thus, the oxidation degree was estimated from the FTIR measurements using the quotient between the C–O related bands area to the total area under the spectra. FTIR shows presence of hydroxyl (–OH), epoxy (C–O–C), carboxyl (–COOH) and carbonyl (C=O) moieties and evidence of intermolecular interactions between adjacent groups. These interactions influence the exfoliation degree, the absorbance of the GO suspensions, as well as the electrical resistance, while the crystalline domain sizes, estimated from XRD and Raman do not show a noticeable behavior related with the composition and molecular structure. The results indicate that the electrical resistance is influenced mainly by the surface chemistry of the GO powders and not only by the O/C ratio. The control of the surface chemistry of GO powders would allow their use as additives in organic bulk heterojunction solar cells with enhanced photoconversion efficiency. - Highlights: • Powders of graphene oxide with different oxidation degree were prepared through variations of the Hummers method. • Raman spectroscopy and XRD demonstrated similar crystallite domain size in the samples. • Electrical resistance, exfoliation degree and optical absorption depend on the molecular structure. �

Microstructure And Mechanical Properties Of Lead Oxide- Thermoplastic Elas Tomer Composite

International Nuclear Information System (INIS)

Sudirman; Handayani, Ari; Darwinto, Tri; Teguh, Yulius S.P.P.; Sunarni, Anik; Marlijanti, Isni

2000-01-01

Research on microstructure and mechanical properties of lead oxide-thermoplastic elastomer composite with Pb 3 O 4 as lead oxide. Thermoplastic elastomer synthesized from natural rubber as the elastomer and methyl metacrilate as the thermoplastic and irradiated simultaneously with optimum gamma ray. Thermoplastic elastomer (NR-PMMA) grind in a laboplastomill and Pb 3 O 4 was added in varied amount of 10%. 30%. 40% and 50%wt.The results showed that mechanical properties (tensile strength and elongation break) decreased as the Pb 3 O 4 composition increased. Microstructure from SEM observation showed that Pb 3 O 4 distributed evenly and having function as filler in composite

Dissociative properties of 1,1,1,2-tetrafluoroethane obtained by computational chemistry

Science.gov (United States)

Hayashi, Toshio; Ishikawa, Kenji; Sekine, Makoto; Hori, Masaru

2018-06-01

The electronic properties and dissociative channels of the alternative to the CCl2F2 (CFC-12) refrigerant, 1,1,1,2-tetrafluoroethane (HFC-134a) with a low global warming potential (GWP, 1430), were revealed by computational chemistry. The results show that CF3 + and CHF2 + ions are mainly produced by ionization. The CF3CH2 + ion is produced by ion pair formation and by direct ionization in the energy region higher than approximately 15 eV, but also in small amounts by the ionization of the dissociated CF3CH2 radical. This information is useful for etching process engineers in leading-edge semiconductor manufacturing.

Recent Discoveries and Future Challenges in Atmospheric Organic Chemistry.

Science.gov (United States)

Glasius, Marianne; Goldstein, Allen H

2016-03-15

Earth's atmosphere contains a multitude of organic compounds, which differ by orders of magnitude regarding fundamental properties such as volatility, reactivity, and propensity to form cloud droplets, affecting their impact on global climate and human health. Despite recent major research efforts and advances, there are still substantial gaps in understanding of atmospheric organic chemistry, hampering efforts to understand, model, and mitigate environmental problems such as aerosol formation in both polluted urban and more pristine regions. The analytical toolbox available for chemists to study atmospheric organic components has expanded considerably during the past decade, opening new windows into speciation, time resolution and detection of reactive and semivolatile compounds at low concentrations. This has provided unprecedented opportunities, but also unveiled new scientific challenges. Specific groundbreaking examples include the role of epoxides in aerosol formation especially from isoprene, the importance of highly oxidized, reactive organics in air-surface processes (whether atmosphere-biosphere exchange or aerosols), as well as the extent of interactions of anthropogenic and biogenic emissions and the resulting impact on atmospheric organic chemistry.

Combustion chemistry. Activities in the CHEC research programme

Energy Technology Data Exchange (ETDEWEB)

Dam-Johansen, K; Johnsson, J E; Glarborg, P; Frandsen, F; Jensen, A; Oestberg, M [Technical Univ. of Denmark, Dept. of Chemical Engineering, Lyngby (Denmark)

1996-12-01

The combustion chemistry in the oxidation of fossil fuels and biofuels determines together with mixing and heat transfer the required size of a furnace, the emission of gaseous pollutants, and the formation of ash and deposits on surfaces. This paper describes technologies for solid fuels combustion and gives a summary of the fuels, the pollutant chemistry and the inorganic chemistry in combustion processes. Emphasis is put on the work carried out in the CHEC (Combustion and Harmful Emission Control Research Programme). (au) 173 refs.

Bibliographies on radiation chemistry

International Nuclear Information System (INIS)

Hoffman, M.Z.; Ross, A.B.

1986-01-01

The one-electron oxidation and reduction of metal ions and complexes can yield species in unusual oxidation states, and ligand-radicals coordinated to the central metal. These often unstable species can be mechanistically important intermediates in thermal, photochemical, and electrochemical reactions involving metal-containing substances. Their generation via radiolysis provides an alternate means of characterizing them using kinetic and spectroscopic techniques. We hope these bibliographies on the radiation chemistry of metal ions and complexes, presented according to periodic groups, will prove useful to researchers in metallo-redox chemistry. These bibliographies contain only primary literature sources; reviews are not included. However, a list of general review articles on the radiation chemistry of metal ions and complexes is presented here in the first section which covers cobalt, rhodium and iridium, Group 9 in the new IUPAC notation. Additional parts of the bibliography are planned, covering other periodic groups. Part A of the bibliography was prepared by a search of the Radiation Chemistry Data Center Bibliographic Data Base (RCDCbib) through January 1986 for papers on rhodium, iridium and cobalt compounds, and radiolysis (both continuous and pulsed). Papers in which the use of metal compounds was incidental to the primary objective of the study were excluded. Excluded also were publications in unrefereed and obscure sources such as meeting proceedings, internal reports, dissertations, and patents. The majority of the studies in the resultant compilation deal with experiments performed on solutions, mainly aqueous, although a substantial fraction is devoted to solid-state esr measurements. The references are listed in separate sections for each of the metals, and are presented in approximate chronological order. (author)

The synthesis and properties of the phases obtained by solid-solid reactions

Directory of Open Access Journals (Sweden)

Blonska-Tabero A.

2008-01-01

Full Text Available The presented work encompasses the subject of the studies and the results obtained over the last years by the research workers of the Department of Inorganic Chemistry. They include mainly the studies on the reactivity of metal oxides, searching for new phases in binary and ternary systems of metal oxides as well as describing phase relations establishing in such systems. They also encompass works on the extensive characteristics of physico-chemical properties of the newly obtained compounds.

Chemistry and Functionality of Bioactive Compounds Present in Persimmon

Directory of Open Access Journals (Sweden)

Shazia Yaqub

2016-01-01

Full Text Available Extensive research has related the consumption of persimmon with the reduced risk of various diseases and particularly highlighted the presence of bioactive phenolic compounds for their therapeutic properties. Major phenolic compounds present in persimmon are ferulic acid, p-coumaric acid, and gallic acid. β-Cryptoxanthin, lycopene, β-carotene, zeaxanthin, and lutein are important carotenoids having antioxidant potential. They are important to prevent oxidation of low-density lipoproteins, safeguard beta cells of the pancreas, and reduce cardiovascular diseases, cancer, diabetes mellitus, and damage caused by chronic alcohol consumption. In this paper, the chemistry and health benefits of bioactive compounds present in persimmon are reviewed to encourage impending applications and to facilitate further research activities.

The basic chemistry of exercise-induced DNA oxidation: oxidative damage, redox signalling and their interplay

Directory of Open Access Journals (Sweden)

James Nathan Cobley

2015-06-01

Full Text Available Acute exercise increases reactive oxygen and nitrogen species generation. This phenomenon is associated with two major outcomes: (1 redox signalling and (2 macromolecule damage. Mechanistic knowledge of how exercise-induced redox signalling and macromolecule damage are interlinked is limited. This review focuses on the interplay between exercise-induced redox signalling and DNA damage, using hydroxyl radical (·OH and hydrogen peroxide (H2O2 as exemplars. It is postulated that the biological fate of H2O2 links the two processes and thus represents a bifurcation point between redox signalling and damage. Indeed, H2O2 can participate in two electron signalling reactions but its diffusion and chemical properties permit DNA oxidation following reaction with transition metals and ·OH generation. It is also considered that the sensing of DNA oxidation by repair proteins constitutes a non-canonical redox signalling mechanism. Further layers of interaction are provided by the redox regulation of DNA repair proteins and their capacity to modulate intracellular H2O2 levels. Overall, exercise-induced redox signalling and DNA damage may be interlinked to a greater extent than was previously thought but this requires further investigation.

Evaluation of the properties of iron oxide-filled castor oil polyurethane

OpenAIRE

Mussatti, Eleonora; Merlini, Claudia; Barra, Guilherme Mariz de Oliveira; Güths, Saulo; Oliveira, Antonio Pedro Novaes de; Siligardi, Cristina

2012-01-01

The aim of this study was to obtain and evaluate the electrical, thermal and mechanical properties of iron oxide-filled castor oil polyurethane (PU/Fe2O3). The iron oxide used in this study was a residue derived from the steel pickling process of a Brazilian steel rolling industry. Polymeric composites with different iron oxide volume fractions (2.5, 5.0, 7.5, 10.0 and 12.5%) were prepared through the casting process followed by compression molding at room temperature. The composites were ana...

Increased electrochemical properties of ruthenium oxide and graphene/ruthenium oxide hybrid dispersed by polyvinylpyrrolidone

International Nuclear Information System (INIS)

Chen, Yao; Zhang, Xiong; Zhang, Dacheng; Ma, Yanwei

2012-01-01

Highlights: ► A good dispersion of RuO 2 and graphene/RuO 2 is obtained by polyvinylpyrrolidone. ► PVP as a dispersant also can prevent the formation of metal Ru in graphene/RuO 2 . ► The max capacitances of the hybrid and RuO 2 reach 435 and 597 F g −1 at 0.2 A g −1 . ► The hybrid shows the best rate capability of 39% at 50 A g −1 . - Abstract: Ruthenium oxide has been prepared by a sol–gel method. Polyvinylpyrrolidone (PVP) as an excellent polymeric dispersant is adopted to prevent aggregation of ruthenium oxide. In order to enhance the rate capability of ruthenium oxide, graphene with residual oxygen functional groups as a 2D support has been merged into ruthenium oxide. These oxygen functional groups not only favor to form stable few layers of graphene colloids, but also offer the sites to anchor ruthenium oxide nanoparticles. X-ray diffraction infers that PVP can also hinder the partial formation of Ru by blocking the direct contact between the Ru 3+ and the graphene in the sol–gel synthesis of the hybrids. The ruthenium oxide and the graphene/ruthenium oxide hybrids dispersed by PVP have superior electrochemical properties due to good dispersing and protecting ability of PVP. Especially, the hybrids using PVP exhibit the best rate capability, indicating that the composites possess an advanced structure of combining sheets and particles in nano-scale.

Tropical Soil Chemistry

DEFF Research Database (Denmark)

Borggaard, Ole K.

and environmental protection. Tropical Soil Chemistry by Ole K. Borggaard provides an overview of the composition, occurrence, properties, processes, formation, and environmental vulnerability of various tropical soil types (using American Soil Taxonomy for classification). The processes and the external factors...... soil chemical issues are also presented to assess when, why, and how tropical soils differ from soils in other regions. This knowledge can help agricultural specialists in the tropics establish sustainable crop production. Readers are assumed to be familiar with basic chemistry, physics...

Recent Advances in Preparation, Structure, Properties and Applications of Graphite Oxide.

Science.gov (United States)

Srivastava, Suneel Kumar; Pionteck, Jürgen

2015-03-01

Graphite oxide, also referred as graphitic oxide or graphitic acid, is an oxidized bulk product of graphite with a variable composition. However, it did not receive immense attention until it was identified as an important and easily obtainable precursor for the preparation of graphene. This inspired many researchers to explore facts related to graphite oxide in exploiting its fascinating features. The present article culminates up-dated review on different preparative methods, morphology and characterization of physical/chemical properties of graphite oxide by XRD, XPS, FTIR, Raman, NMR, UV-visible, and DRIFT analyses. Finally, recent developments on intercalation and applications of GO in multifaceted areas of catalysis, sensor, supercapacitors, water purification, hydrogen storage and magnetic shielding etc. has also been reviewed.

Design, development and applications of novel techniques for studying surface mechanical properties

Science.gov (United States)

Miyoshi, Kazuhisa

1989-01-01

Research is reviewed for the adhesion, friction, and micromechanical properties of materials and examples of the results presented. The ceramic and metallic materials studied include silicon carbide, aluminum oxide, and iron-base amorphous alloys. The design and operation of a torsion balance adapted for study of adhesion from the Cavendish balance are discussed first. The pull-off force (adhesion) and shear force (friction) required to break the interfacial junctions between contacting surfaces of the materials were examined at various temperatures in a vacuum. The surface chemistry of the materials was analyzed by X-ray photoelectron spectroscopy. Properties and environmental conditions of the surface regions which affect adhesion and friction-such as surface segregation, composition, crystal structure, surface chemistry, and temperature were also studied.

Gas transport properties of polybenzimidazole and poly(phenylene oxide) mixed matrix membranes incorporated with PDA-functionalised titanate nanotubes

Czech Academy of Sciences Publication Activity Database

Giel, Verena; Perchacz, Magdalena; Kredatusová, Jana; Pientka, Zbyněk

2017-01-01

Roč. 12, č. 1 (2017), s. 1-15, č. článku 3. ISSN 1931-7573 R&D Projects: GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : polybenzimidazole * poly(phenylene oxide) * titanate nanotubes Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science

Properties, performance and associated hazards of state-of-the-art durable water repellent (DWR) chemistry for textile finishing.

Science.gov (United States)

Holmquist, H; Schellenberger, S; van der Veen, I; Peters, G M; Leonards, P E G; Cousins, I T

2016-05-01

Following the phase-out of long-chain per- and polyfluoroalkyl substances (PFASs), the textile industry had to find alternatives for side-chain fluorinated polymer based durable water repellent (DWR) chemistries that incorporated long perfluoroalkyl side chains. This phase-out and subsequent substitution with alternatives has resulted in a market where both fluorinated and non-fluorinated DWRs are available. These DWR alternatives can be divided into four broad groups that reflect their basic chemistry: side-chain fluorinated polymers, silicones, hydrocarbons and other chemistries (includes dendrimer and inorganic nanoparticle chemistries). In this critical review, the alternative DWRs are assessed with regards to their structural properties and connected performance, loss and degradation processes resulting in diffuse environmental emissions, and hazard profiles for selected emitted substances. Our review shows that there are large differences in performance between the alternative DWRs, most importantly the lack of oil repellence of non-fluorinated alternatives. It also shows that for all alternatives, impurities and/or degradation products of the DWR chemistries are diffusively emitted to the environment. Our hazard ranking suggests that hydrocarbon based DWR is the most environmentally benign, followed by silicone and side-chain fluorinated polymer-based DWR chemistries. Industrial commitments to reduce the levels of impurities in silicone based and side-chain fluorinated polymer based DWR formulations will lower the actual risks. There is a lack of information on the hazards associated with DWRs, in particular for the dendrimer and inorganic nanoparticle chemistries, and these data gaps must be filled. Until environmentally safe alternatives, which provide the required performance, are available our recommendation is to choose DWR chemistry on a case-by-case basis, always weighing the benefits connected to increased performance against the risks to the

Temperature dependent thermoelectric property of reduced graphene oxide-polyaniline composite

Energy Technology Data Exchange (ETDEWEB)

Mitra, Mousumi, E-mail: mousumimitrabesu@gmail.com; Banerjee, Dipali, E-mail: dipalibanerjeebesu@gmail.com [Department of Physics, Indian Institute of Engineering Science and Technology (IIEST), Howrah-711103 (India); Kargupta, Kajari, E-mail: karguptakajari2010@gmail.com [Department of Chemical Engineering, Jadavpur University, Kolkata (India); Ganguly, Saibal, E-mail: gangulysaibal2011@gmail.com [Chemical Engineering department, Universiti Teknologi Petronas, Perak, Tronoh (Malaysia)

2016-05-06

A composite material of reduced graphene oxide (rG) nanosheets with polyaniline (PANI) protonated by 5-sulfosalicylic acid has been synthesized via in situ oxidative polymerization method. The morphological and spectral characterizations have been done using FESEM and XRD measurements. The thermoelectric (TE) properties of the reduced graphene oxide-polyaniline composite (rG-P) has been studied in the temperature range from 300-400 K. The electrical conductivity and the Seebeck coefficient of rG-P is higher than the of pure PANI, while the thermal conductivity of the composite still keeps much low value ensuing an increase in the dimensionless figure of merit (ZT) in the whole temperature range.

Chemistry Division. Quarterly progress report for period ending June 30, 1949

Energy Technology Data Exchange (ETDEWEB)

1949-09-14

Progress reports are presented for the following tasks: (1) nuclear and chemical properties of heavy elements (solution chemistry, phase rule studies); (2) nuclear and chemical properties of elements in the fission product region; (3) general nuclear chemistry; (4) radio-organic chemistry; (5) chemistry of separations processes; (6) physical chemistry and chemical physics; (7) radiation chemistry; (8) physical measurements and instrumentation; and (9) analytical chemistry. The program of the chemistry division is divided into two efforts of approximately equal weight with respect to number of personnel, chemical research, and analytical service for the Laboratory. The various research problems fall into the following classifications: (1) chemical separation processes for isolation and recovery of fissionable material, production of radioisotopes, and military applications; (2) reactor development; and (3) fundamental research.

Research in Chemistry

Science.gov (United States)

1957-12-31

Thermometric Studies...................... .. C-16 JANAF-Panel on Analytical Chemistry of Solid Propellants. . ............. C-16 Chelation Studies... aluminum oxide (basic) has been routinely used in a slurry technique as a scavenger for boron trifluoride. When used in eamounts su1ficient to completely...due to accidental ignition of the reaction mixture and to difficulties in removal of aluminum and lithium ethylates which are formed in the

Future in actinoids coordination chemistry

International Nuclear Information System (INIS)

Kitazawa, Takafumi

2006-01-01

Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

Investigating Students' Similarity Judgments in Organic Chemistry

Science.gov (United States)

Graulich, N.; Bhattacharyya, G.

2017-01-01

Organic chemistry is possibly the most visual science of all chemistry disciplines. The process of scientific inquiry in organic chemistry relies on external representations, such as Lewis structures, mechanisms, and electron arrows. Information about chemical properties or driving forces of mechanistic steps is not available through direct…

Ozone and the oxidizing properties of the troposphere

International Nuclear Information System (INIS)

Megie, G.

1996-01-01

This article is about the rising concentration of ozone and photo-oxidizers observed in the troposphere, the atmosphere between the ground and a height of 10 to 15 km. This serious global environmental problem has up to now been less well known than the greenhouse effect or the decrease in stratospheric ozone. This is because it varies with time and place and involves many complicated physico-chemical and atmospheric processes. At our latitudes, the average ozone concentration in the air we breathe has quadrupled since the beginning of this century. In polluted areas it often exceeds the recommended norms. This increase in ozone concentrations in the lower atmosphere directly reflects the impact of man-made emissions of compounds like methane, carbon monoxide, hydrocarbons and nitrogen oxides. Sunlight acts on these compounds to form ozone via complicated chemical reactions. This change in oxidizing properties of the troposphere is beginning produce perceptible effects on vegetable production, human health and climate. (author). 24 refs., 5 figs., 4 tabs

Introduction of Differential Scanning Calorimetry in a General Chemistry Laboratory Course: Determination of Thermal Properties of Organic Hydrocarbons

Science.gov (United States)

D'Amelia, Ronald; Franks, Thomas; Nirode, William F.

2007-01-01

In first-year general chemistry undergraduate courses, thermodynamics and thermal properties such as melting points and changes in enthalpy ([Delta]H) and entropy ([Delta]S) of phase changes are frequently discussed. Typically, classical calorimetric methods of analysis are used to determine [Delta]H of reactions. Differential scanning calorimetry…

Role of acidic chemistries in steam treatment of aluminium alloys

DEFF Research Database (Denmark)

Din, Rameez Ud; Jellesen, Morten Stendahl; Ambat, Rajan

2015-01-01

The effect of acidic chemistry on the accelerated growth of oxide on aluminium alloys Peraluman 706TM and AA6060 under exposure to high temperature steam was investigated. Studied chemistries were based on citrates and phosphates. Results showed that the presence of citrate and phosphate anions...... initiate doxide growth at the intermetallic particles while growth and corrosion performance of oxide was found tobe a function of anions type and their concentration. Further, steam treatment with phosphates exhibited better performance under acetic acid salt spray and filiform corrosion test whereas...

Structural and photoluminescent properties of a composite tantalum oxide and silicon nanocrystals embedded in a silicon oxide film

Energy Technology Data Exchange (ETDEWEB)

Díaz-Becerril, T., E-mail: tomas.diaz.be@gmail.com; Herrera, V.; Morales, C.; García-Salgado, G.; Rosendo, E.; Coyopol, A., E-mail: acoyopol@gmail.com; Galeazzi, R.; Romano, R.; Nieto-Caballero, F.G.; Sarmiento, J.

2017-04-15

Tantalum oxide crystals encrusted in a silicon oxide matrix were synthesized by using a hot filament chemical vapor deposition system (HFCVD). A solid source composed by a mixture in different percentages of Ta{sub 2}O{sub 5} and silicon (Si) powders were used as reactants. The films were grown at 800 °C and 1000 °C under hydrogen ambient. The deposited films were characterized by X-ray photoelectron spectroscopy (XPS), high-resolution transmission electron microscopy (HRTEM) and photoluminescence (PL) at room temperature. From the XPS results it was confirmed the formation of a mixture of Tantalum oxide, silicon oxide and Si nanoparticles (Ta{sub 2}O{sub 5-}SiO{sub 2}-Si(nc)) as seen from the Si (2p) and Ta (4f) lines corresponding to Si{sup +} and Ta{sup +} states respectively. Ta{sub 2}O{sub 5} and Si nanocrystals (Si-NCs) embedded in the silicon oxide films were observed on HRTEM images which corroborate the XPS results. Finally the emission properties of the films exhibited a broad band from 400 to 850 nm caused by the independent PL properties of tantalum oxide and Si-NCs that compose the film. The intensity of the emissions was observed to be dependent on both temperature of deposition and the ratio Ta{sub 2}O{sub 5}/Si, used as initial reactants. Results from this work might supply useful data for the development of future light emitter devices.

Tropospheric Halogen Chemistry

Science.gov (United States)

von Glasow, R.; Crutzen, P. J.

2003-12-01

Halogens are very reactive chemicals that are known to play an important role in anthropogenic stratospheric ozone depletion chemistry, first recognized by Molina and Rowland (1974). However, they also affect the chemistry of the troposphere. They are of special interest because they are involved in many reaction cycles that can affect the oxidation power of the atmosphere indirectly by influencing the main oxidants O3 and its photolysis product OH and directly, e.g., by reactions of the Cl radical with hydrocarbons (e.g., CH4).Already by the middle of the nineteenth century, Marchand (1852) reported the presence of bromine and iodine in rain and other natural waters. He also mentions the benefits of iodine in drinking water through the prevention of goitres and cretinism. In a prophetic monograph "Air and Rain: The Beginnings of a Chemical Climatology," Smith (1872) describes measurements of chloride in rain water, which he states to originate partly from the oceans by a process that he compares with the bursting of "soap bubbles" which produces "small vehicles" that transfer small spray droplets of seawater to the air. From deviations of the sulfate-to-chloride ratio in coastal rain compared to seawater, Smith concluded that chemical processes occur once the particles are airborne.For almost a century thereafter, however, atmospheric halogens received little attention. One exception was the work by Cauer (1939), who reported that iodine pollution has been significant in Western and Central Europe due to the inefficient burning of seaweed, causing mean gas phase atmospheric concentrations as high as or greater than 0.5 μg m-3. In his classical textbook Air Chemistry and Radioactivity, Junge (1963) devoted less than three pages to halogen gas phase chemistry, discussing chlorine and iodine. As reviewed by Eriksson (1959a, b), the main atmospheric source of halogens is sea salt, derived from the bursting of bubbles of air which are produced by ocean waves and other

Presidential Green Chemistry Challenge: 1999 Academic Award

Science.gov (United States)

Presidential Green Chemistry Challenge 1999 award winner, Professor Terry Collins, developed a series of TAML oxidant activators that work with hydrogen peroxide to replace chlorine bleaches for paper making and laundry.

Synthesis, characterization, applications, and challenges of iron oxide nanoparticles

Science.gov (United States)

Ali, Attarad; Zafar, Hira; Zia, Muhammad; ul Haq, Ihsan; Phull, Abdul Rehman; Ali, Joham Sarfraz; Hussain, Altaf

2016-01-01

Recently, iron oxide nanoparticles (NPs) have attracted much consideration due to their unique properties, such as superparamagnetism, surface-to-volume ratio, greater surface area, and easy separation methodology. Various physical, chemical, and biological methods have been adopted to synthesize magnetic NPs with suitable surface chemistry. This review summarizes the methods for the preparation of iron oxide NPs, size and morphology control, and magnetic properties with recent bioengineering, commercial, and industrial applications. Iron oxides exhibit great potential in the fields of life sciences such as biomedicine, agriculture, and environment. Nontoxic conduct and biocompatible applications of magnetic NPs can be enriched further by special surface coating with organic or inorganic molecules, including surfactants, drugs, proteins, starches, enzymes, antibodies, nucleotides, nonionic detergents, and polyelectrolytes. Magnetic NPs can also be directed to an organ, tissue, or tumor using an external magnetic field for hyperthermic treatment of patients. Keeping in mind the current interest in iron NPs, this review is designed to report recent information from synthesis to characterization, and applications of iron NPs. PMID:27578966

A novel Graphene Oxide film: Synthesis and Dielectric properties

Science.gov (United States)

Canimkurbey, Betul; San, Sait Eren; Yasin, Muhammad; Köse, Muhammet Erkan

In this work, we used Hummers method to synthesize Graphene Oxide (GO) and its parallel plate impedance spectroscopic technique to investigate dielectric properties. Graphene Oxide films were coated using drop casting method on ITO substrate. To analyze film morphology, atomic force microscopy was used. Dielectrics measurements of the samples were performed using impedance analyzer (HP-4194) in frequency range (100 Hz to 10MHz) at different temperatures. It was observed that the films' AC conductivity σac varied with angular frequency, ω as ωS, with Sdirect current (DC) and Correlated Barrier Hopping (CBH) conductivity mechanisms at low and high frequency ranges, respectively. Using solution processed Graphene Oxide will provide potential for organic electronic applications through its photon absorption and transmittance capability in the visible range and excellent electrical parameters.

Stimulus Responsive Poly(ferrocenylsilanes): Redox Chemistry of Iron in the Main Chain

NARCIS (Netherlands)

Giannotti, M.I.; Lv, H.; Ma, Y.; Steenvoorden, M.P.; Overweg, A.R.; Roerdink, M.; Hempenius, Mark A.; Vancso, Gyula J.

2006-01-01

Redox chemistry of organometallic poly(ferrocenylsilane) polymers (soluble in organic or aqueous environment) is discussed. Poly(ferrocenyldimethylsilane) (PFDMS) was oxidized in CH2Cl2 solution with different oxidants. Oxidation was accomplished with stepwise increasing amounts of ferric chloride

Analytical Chemistry at the Interface Between Materials Science and Biology

Energy Technology Data Exchange (ETDEWEB)

O' Brien, Janese C. [Iowa State Univ., Ames, IA (United States)

2000-09-21

Likedlessentid sciences, anal~cd chetis~continues toreinvent itself. Moving beyond its traditional roles of identification and quantification, analytical chemistry is now expanding its frontiers into areas previously reserved to other disciplines. This work describes several research efforts that lie at the new interfaces between analytical chemistry and two of these disciplines, namely materials science and biology. In the materials science realm, the search for new materials that may have useful or unique chromatographic properties motivated the synthesis and characterization of electrically conductive sol-gels. In the biology realm, the search for new surface fabrication schemes that would permit or even improve the detection of specific biological reactions motivated the design of miniaturized biological arrays. Collectively, this work represents some of analytical chemistry’s newest forays into these disciplines. The introduction section to this dissertation provides a literature review on several of the key aspects of this work. In advance of the materials science discussion, a brief introduction into electrochemically-modulated liquid chromatography (EMLC) and sol-gel chemistry is provided. In advance of the biological discussions, brief overviews of scanning force microscopy (SFM) and the oxidative chemistry used to construct our biological arrays are provided. This section is followed by four chapters, each of which is presented as a separate manuscript, and focuses on work that describes some of our cross-disciplinary efforts within materials science and biology. This dissertation concludes with a general summary and future prospectus.

Study of the properties of urethane-siloxane copolymers based on poly(propylene oxide)-b-poly(dimethylsiloxane)-b-poly(propylene oxide) soft segments

Czech Academy of Sciences Publication Activity Database

Stefanović, I. S.; Špírková, Milena; Poreba, Rafal; Steinhart, Miloš; Ostojić, S.; Tešević, V.; Pergal, M. V.

2016-01-01

Roč. 55, č. 14 (2016), s. 3960-3973 ISSN 0888-5885 R&D Projects: GA ČR(CZ) GA13-06700S Institutional support: RVO:61389013 Keywords : waterborne polyurethane adhesives * mechanical-properties * molecular-weight Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.843, year: 2016

Vanadium oxides supported on hydrotalcite-type precursors: the effect of acid-base properties on the oxidation of isopropanol

Directory of Open Access Journals (Sweden)

D. M. Meira

2006-09-01

Full Text Available Vanadium oxide supported on hydrotalcite-type precursors was studied in the oxidation of isopropanol. Hydrotalcites with different y = Mg/Al ratios were synthesized by the method of coprecipitation nitrates of Mg and Al cations with K2CO3 as precipitant. The decomposition of these hydrotalcite precursors at 450°C yielded homogeneous MgyAlOx mixed oxides that contain the Al+3 cations totally incorporated into the MgO framework. The materials were characterized by chemical analysis, BET superficial area, X-ray diffraction, temperature-programmed reduction (TPR and the reaction of isopropanol, a probe molecule used to evaluate the acid-base properties. The results of TPR showed that the reducibility of V+5 decreased with the increase in magnesium loading in catalysts. The X-ray diffraction patterns of Al-rich hydrotalcite precursors showed the presence of crystalline phases of brucite and gibbsite. It was shown that chemical composition, texture, acid-base properties of the active sites and also Mg/Al ratio strongly affect the formation of the products in the oxidation of isopropanol. The Al-rich catalysts were much more active than the Mg-rich ones, converting isopropanol mainly to propylene.

Vanadium oxides supported on hydrotalcite-type precursors: the effect of acid base properties on the oxidation of isopropanol

Energy Technology Data Exchange (ETDEWEB)

Meira, D.M.; Cortez, G.G. [Faculdade de Engenharia Quimica de Lorena, Lorena, SP (Brazil). Dept. de Engenharia Quimica. Lab. de Catalise II]. E-mail: cortez@dequi.faenquil.br; Monteiro, W.R.; Rodrigues, J.A.J. [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Lab. Associado de Combustao e Propulsao]. E-mail: jajr@lcp.inpe.br

2006-07-15

Vanadium oxide supported on hydrotalcite-type precursors was studied in the oxidation of isopropanol. Hydrotalcites with different y = Mg/Al ratios were synthesized by the method of coprecipitation nitrates of Mg and Al cations with K{sub 2}CO{sub 3} as precipitant. The decomposition of these hydrotalcite precursors at 450 deg C yielded homogeneous MgyAlOx mixed oxides that contain the Al{sup +3} cations totally incorporated into the MgO framework. The materials were characterized by chemical analysis, BET superficial area, X-ray diffraction, temperature-programmed reduction (TPR) and the reaction of isopropanol, a probe molecule used to evaluate the acid-base properties. The results of TPR showed that the reducibility of V{sup +5} decreased with the increase in magnesium loading in catalysts. The X-ray diffraction patterns of Al-rich hydrotalcite precursors showed the presence of crystalline phases of brucite and gibbsite. It was shown that chemical composition, texture, acid-base properties of the active sites and also Mg/Al ratio strongly affect the formation of the products in the oxidation of isopropanol. The Al-rich catalysts were much more active than the Mg-rich ones, converting isopropanol mainly to propylene. (author)

Thermoluminescence and photoluminescence properties of NaCl:Mn, NaCL:Cu nano-particles produced using co-precipitation and sono-chemistry methods

Energy Technology Data Exchange (ETDEWEB)

Mehrabi, M. [Faculty of Physics, University of Kashan, Kashan (Iran, Islamic Republic of); Zahedifar, M. [Faculty of Physics, University of Kashan, Kashan (Iran, Islamic Republic of); Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Saeidi-Sogh, Z. [Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Ramazani-Moghaddam-Arani, A., E-mail: ramazmo@kashanu.ac.ir [Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Sadeghi, E. [Faculty of Physics, University of Kashan, Kashan (Iran, Islamic Republic of); Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of); Harooni, S. [Institute of Nanosince and Nanotechnology, University of Kashan, Kashan (Iran, Islamic Republic of)

2017-02-21

The NaCl: Cu and NaCl: Mn nanoparticles (NPs) were produced by co-precipitation and sono-chemistry methods and their thermoluminescence (TL) and photoluminescence (PL) properties were studied. By decreasing the particles size a considerable increase in sensitivity of the samples to high dose gamma radiation was observed. The NPs produced by sono-chemistry method have smaller size, homogeneous structure, more sensitivity to high gamma radiation and less fading than of those produced by co-precipitation method.

Chemistry WebBook

Science.gov (United States)

SRD 69 NIST Chemistry WebBook (Web, free access)   The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.

Influence of surface oxidation on the radiative properties of ZrB{sub 2}-SiC composites

Energy Technology Data Exchange (ETDEWEB)

Li, Ning, E-mail: lncaep@163.com [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang, 621900 (China); Xing, Pifeng; Li, Cui [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang, 621900 (China); Wang, Peng [School of Material Science and Engineering, Shandong University of Technology, Zibo 255049 (China); Jin, Xinxin [College of Materials Science and Engineering, Harbin University of Science and Technology, Harbin 150040 (China); Zhang, Xinghong [Science and Technology on Advanced Composites in Special Environments Laboratory, Harbin Institute of Technology, Harbin 150001 (China)

2017-07-01

Highlights: • Surface component affected radiative properties of ZrB{sub 2}-SiC composites significantly. • Emissivity in long-wave range gradually increased with the thickness of oxide scale. • The surface temperature had a little effect on radiative properties of composites. • Influence of surface roughness on emissivity could be negligible. • Covering the surface with glass is a method for improving radiative properties. - Abstract: The spectral emissivities of ZrB{sub 2}-20 vol.% SiC composites with various surface components of ZrB{sub 2}/SiC (ZS1), silica-rich glass (ZS2) and porous zirconia (ZS3) were measured using infrared spectrometer in the wavelength range from 2.5 to 25.0 μm. The relationship between surface oxidation (associated with surface component, thickness of oxide scale, testing temperature as well as roughness) and the radiative properties of ZrB{sub 2}-SiC composites were investigated systematically. Surface component affected the radiative properties of composites significantly. The total emissivity of ZS1 varied from 0.22 to 0.81 accompanied with surface oxidation in the temperature range 300–900 °C. The emissivity of ZS2 was about 1.5 times as that of ZS3 under the same testing conditions. The oxide scale on specimen surface enhanced the radiative properties especially in terms of short-wave range, and the emissivity in the long-wave range gradually increased with the thickness of oxide scale within a certain range. The influence of testing temperature and surface roughness was also investigated. The testing temperature had a little effect on radiative properties, whereas effect of surface roughness could be negligible.

Bi-template assisted synthesis of mesoporous manganese oxide nanostructures: Tuning properties for efficient CO oxidation.

Science.gov (United States)

Roy, Mouni; Basak, Somjyoti; Naskar, Milan Kanti

2016-02-21

A simple soft bi-templating process was used for the synthesis of mesoporous manganese oxide nanostructures using KMnO4 as a precursor and polyethylene glycol and cetyltrimethylammonium bromide as templates in the presence of benzaldehyde as an organic additive in alkaline media, followed by calcination at 400 °C. X-ray diffraction and Raman spectroscopic analysis of the calcined products confirmed the existence of stoichiometric (MnO2 and Mn5O8) and non-stoichiometric mixed phases (MnO2 + Mn5O8) of Mn oxides obtained by tuning the concentration of the additive and the synthesis time. The surface properties of the prepared Mn oxides were determined by X-ray photoelectron spectroscopy. The mesoporosity of the samples was confirmed by N2 adsorption-desorption. Different synthetic conditions resulted in the formation of different morphologies of the Mn oxides (α-MnO2, Mn5O8, and α-MnO2 + Mn5O8), such as nanoparticles, nanorods, and nanowires. The synthesized mesoporous Mn oxide nanostructures were used for the catalytic oxidation of the harmful air pollutant carbon monoxide. The Mn5O8 nanoparticles with the highest Brunauer-Emmett-Teller surface area and the non-stoichiometric manganese oxide (α-MnO2 + Mn5O8) nanorods with a higher Mn(3+) concentration had the best catalytic efficiency.

Effect of drying method on properties of vanadium-molybdenum oxide catalysts

International Nuclear Information System (INIS)

Gorshkova, T.P.; Savchenko, L.A.; Tarasova, D.V.; Tret'yakov, Yu.D.; Olen'kova, I.P.; Nikoro, T.A.; Maksimov, N.G.

1981-01-01

Effect of drying method of molybdenum and vanadium salt solutions on physicochemical and catalytical properties of vanadium-molybdenum catalysts is studied. It is shown that the drying method of solutions determines the completeness of vanadium binding into oxide vanadium-molybdenum compounds and thus effects the activity and selectivity of catalysts in acrolein oxidation into acrylic acid. Besides the drying method determines the porous structure of catalysts [ru

Novel bi-metallic uranyl complexes - Redox chemistry in aqueous solutions

International Nuclear Information System (INIS)

Yardeni, A.; Mizrahi, E.; Maimon, I.; Zilbermann, G.; Meyerstein, D.; Zehavi-cohen, A.Z.

2014-01-01

The synthesis of organic ligands which can accommodate two uranium atoms at different oxidation states, mixed valency being then achieved by redox chemistry at room temperature is definitely a challenge in coordination chemistry. The following complexes were synthesized and characterized by elemental analysis, NMR, MS, IR and UV-vis

Microwave-assisted synthesis and optical properties of cuprous oxide micro/nanocrystals

Energy Technology Data Exchange (ETDEWEB)

Sun, Dandan [Key Laboratory of Processing and Testing Technology of Glass and Functional Ceramics of Shandong Province, Qilu University of Technology, Jinan 250353 (China); Du, Yi, E-mail: duyi234@126.com [Key Laboratory of Processing and Testing Technology of Glass and Functional Ceramics of Shandong Province, Qilu University of Technology, Jinan 250353 (China); Tian, Xiuying, E-mail: xiuyingt@yahoo.com [Department of Chemistry and Materials Science, Hunan Institute of Humanities Science and Technology, Loudi 417000 (China); Li, Zhongfu; Chen, Zhongtao; Zhu, Chaofeng [Key Laboratory of Processing and Testing Technology of Glass and Functional Ceramics of Shandong Province, Qilu University of Technology, Jinan 250353 (China)

2014-12-15

Graphical abstract: Cuprous oxide micro/nanocrystals were fabricated by a facile and green microwave-assisted method using soluble starch as reductant and dispersant. Spheres with the diameter of about 100 and 600 nm, octahedron and truncated octahedron with the edge length of about 0.8–3 μm cuprous oxide micro/nanocrystals were successfully obtained. Microwave heating was proved to be a efficient method and was advantageous to the homogeneous nucleation. Growth mechanism of the prepared Cu{sub 2}O microcrystals were investigated carefully. Furthermore, the optical properties of the prepared cuprous oxide microcrystals were investigated by UV–vis diffuse reflectance spectroscopy, demonstrating that their band gaps of obtained samples were 1.96–2.07 eV, assigned to their different sizes and morphologies. - Abstract: Cuprous oxide micro/nanocrystals were fabricated by a facile and green microwave-assisted method using soluble starch as reductant and dispersant. It was observed that the addition amounts of NaOH had a prominent effect on the morphologies and size of cuprous oxide products, and microwave heating was proved to be a efficient method and was advantageous to the homogeneous nucleation. The as-obtained samples were characterized by X-ray diffraction (XRD), and field-emission scanning electron microscopy (FESEM). The results indicated that the samples were pure cuprous oxide. Spheres with the diameter of about 100 and 600 nm, octahedron and truncated octahedron with the edge length of about 0.8–3 μm cuprous oxide micro/nanocrystals were successfully obtained. Furthermore, the UV–vis diffuse reflectance spectroscopy was used to investigate the optical properties of the prepared cuprous oxide microcrystals, demonstrating that their band gaps of obtained samples were 1.96–2.07 eV, assigned to their different sizes and morphologies.

Experimental and modeling studies of small molecule chemistry in expanding spherical flames

Science.gov (United States)

Santner, Jeffrey

Accurate models of flame chemistry are required in order to predict emissions and flame properties, such that clean, efficient engines can be designed more easily. There are three primary methods used to improve such combustion chemistry models - theoretical reaction rate calculations, elementary reaction rate experiments, and combustion system experiments. This work contributes to model improvement through the third method - measurements and analysis of the laminar burning velocity at constraining conditions. Modern combustion systems operate at high pressure with strong exhaust gas dilution in order to improve efficiency and reduce emissions. Additionally, flames under these conditions are sensitized to elementary reaction rates such that measurements constrain modeling efforts. Measurement conditions of the present work operate within this intersection between applications and fundamental science. Experiments utilize a new pressure-release, heated spherical combustion chamber with a variety of fuels (high hydrogen content fuels, formaldehyde (via 1,3,5-trioxane), and C2 fuels) at pressures from 0.5--25 atm, often with dilution by water vapor or carbon dioxide to flame temperatures below 2000 K. The constraining ability of these measurements depends on their uncertainty. Thus, the present work includes a novel analytical estimate of the effects of thermal radiative heat loss on burning velocity measurements in spherical flames. For 1,3,5-trioxane experiments, global measurements are sufficiently sensitive to elementary reaction rates that optimization techniques are employed to indirectly measure the reaction rates of HCO consumption. Besides the influence of flame chemistry on propagation, this work also explores the chemistry involved in production of nitric oxide, a harmful pollutant, within flames. We find significant differences among available chemistry models, both in mechanistic structure and quantitative reaction rates. There is a lack of well

Novel vanillin derivatives: Synthesis, anti-oxidant, DNA and cellular protection properties.

Science.gov (United States)

Scipioni, Matteo; Kay, Graeme; Megson, Ian; Kong Thoo Lin, Paul

2018-01-01

Antioxidants have been the subject of intense research interest mainly due to their beneficial properties associated with human health and wellbeing. Phenolic molecules, such as naturally occurring Resveratrol and Vanillin, are well known for their anti-oxidant properties, providing a starting point for the development of new antioxidants. Here we report, for the first time, the synthesis of a number of new vanillin through the reductive amination reaction between vanillin and a selection of amines. All the compounds synthesised, exhibited strong antioxidant properties in DPPH, FRAP and ORAC assays, with compounds 1b and 2c being the most active. The latter also demonstrated the ability to protect plasmid DNA from oxidative damage in the presence of the radical initiator AAPH. At cellular level, neuroblastoma SH-SY5Y cells were protected from oxidative damage (H 2 O 2 , 400 μM) with both 1b and 2c. The presence of a tertiary amino group, along with the number of vanillin moieties in the molecule contribute for the antioxidant activity. Furthermore, the delocalization of the electron pair of the nitrogen and the presence of an electron donating substituent to enhance the antioxidant properties of this new class of compounds. In our opinion, vanillin derivatives 1b and 2c described in this work can provide a viable platform for the development of antioxidant based therapeutics. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Effect of Different Post Deposition Annealing Treatments on Properties of Zinc Oxide Thin Films

Directory of Open Access Journals (Sweden)

Arti Arora

2010-06-01

Full Text Available Two different post deposition annealing atmospheres of oxygen and forming gas have been investigated for the improvement of rf sputtered zinc oxide thin films. The results show that type of atmosphere (oxidant o reduction plays an important role in the changes observed in structural, electrical and optical properties. It has been found that the structural properties of rf sputtered zinc oxide films improve in all the annealing environments. The intensity and grain size increases as the annealing temperature increases. It has been found that films become stress free at lowest temperature in oxygen as compare to forming gas annealing. The zinc oxide films annealed in oxygen shows sufficient resistivity associated to high transmittance (83 % characteristics required for MEMS based acoustic devices.

Annealing induced structural evolution and electrochromic properties of nanostructured tungsten oxide films

Energy Technology Data Exchange (ETDEWEB)

Wu, Ching-Lin [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Lin, Chung-Kwei [School of Dental Technology, Taipei Medical University, Taipei City 110, Taiwan, ROC (China); Wang, Chun-Kai [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Wang, Sheng-Chang [Department of Mechanical Engineering, Southern Taiwan University, Tainan 710, Taiwan, ROC (China); Huang, Jow-Lay, E-mail: JLH888@mail.ncku.edu.tw [Department of Materials Science and Engineering, National Cheng Kung University, Tainan 701, Taiwan, ROC (China); Department of Chemical and Materials Engineering, National University of Kaohsiung, Kaohsiung 81148, Taiwan, ROC (China); Research Center for Energy Technology and Strategy, National Cheng Kung University, Tainan 701, Taiwan, ROC (China)

2013-12-31

The effect of microstructure on the optical and electrochemical properties of nanostructured tungsten oxide films was evaluated as a function of annealing temperature. The films using block copolymer as the template were prepared from peroxotungstic acid (PTA) by spin-coating onto the substrate and post-annealed at 250–400 °C to form tungsten oxide films with nanostructure. The microstructure of the films was measured by X-ray diffraction and surface electron microscopy. The films annealed at temperatures below 300 °C are characterized by amorphous or nanocrystalline structures with a pore size of less than 10 nm. The evaluated annealing temperature caused a triclinic crystalline structure and microcracks. Cyclic voltammetry measurements were performed in a LiClO{sub 4}-propylene carbonate electrolyte. The results showed that the ion inserted capacity were maximized for films annealed at 300 °C and decreased with the increasing of annealing temperature. The electrochromic properties of the nanostructured tungsten oxide films were evaluated simultaneously by potentiostat and UV–vis spectroscopy. The films annealed at 300 °C exhibit high transmission modulation (∆T ∼ 40%) at λ = 633 nm and good kinetic properties. As a result, the correlation between the microstructure and kinetic properties was established, and the electrochromic properties have been demonstrated. - Highlights: • Surfactant-assisted WO{sub 3} films have been prepared by sol–gel method. • Nanostructure of porous WO{sub 3} film is retained after crystallization. • Kinetic properties of WO{sub 3} can be improved by nanostructure and crystallinity.

SnO2 nanosheets grown on graphene sheets with enhanced lithium storage properties.

Science.gov (United States)

Ding, Shujiang; Luan, Deyan; Boey, Freddy Yin Chiang; Chen, Jun Song; Lou, Xiong Wen David

2011-07-07

We demonstrate a new hydrothermal method to directly grow SnO(2) nanosheets on a graphene oxide support that is subsequently reduced to graphene. This unique SnO(2)/graphene hybrid structure exhibits enhanced lithium storage properties with high reversible capacities and good cycling performance. This journal is © The Royal Society of Chemistry 2011

Venting temperature determines surface chemistry of magnetron sputtered TiN films

Energy Technology Data Exchange (ETDEWEB)

Greczynski, G. [Thin Film Physics Division, Department of Physics (IFM), Linköping University, SE-581 83 Linköping (Sweden); Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, D-52074 Aachen (Germany); Mráz, S.; Schneider, J. M. [Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, D-52074 Aachen (Germany); Hultman, L. [Thin Film Physics Division, Department of Physics (IFM), Linköping University, SE-581 83 Linköping (Sweden)

2016-01-25

Surface properties of refractory ceramic transition metal nitride thin films grown by magnetron sputtering are essential for resistance towards oxidation necessary in all modern applications. Here, typically neglected factors, including exposure to residual process gases following the growth and the venting temperature T{sub v}, each affecting the surface chemistry, are addressed. It is demonstrated for the TiN model materials system that T{sub v} has a substantial effect on the composition and thickness-evolution of the reacted surface layer and should therefore be reported. The phenomena are also shown to have impact on the reliable surface characterization by x-ray photoelectron spectroscopy.

Electrical and mechanical properties of poly(ethylene oxide)/intercalated clay polymer electrolyte

International Nuclear Information System (INIS)

Moreno, Mabel; Quijada, Raúl; Santa Ana, María A.; Benavente, Eglantina; Gomez-Romero, Pedro; González, Guillermo

2011-01-01

Highlights: ► Poly(ethylene oxide)/intercalated clay nanocomposite as filler in solid poly(ethylene oxide) electrolytes. ► Nanocomposite filler improves mechanical properties, transparency, and conductivity of poly(ethylene oxide) electrolyte films. ► Nanocomposite is more effective than unmodified clay in improving polymer electrolyte properties. ► Low Li/polymer ratio avoids crystalline Li complexes, so effects mainly arise from the polymer. ► High nanocomposite/poly(ethylene oxide)-matrix affinity enhances microhomogeneity in the polyelectrolyte. - Abstract: Solvent-free solid polymer electrolytes (SPEs) based on two different poly(ethylene oxide), PEO Mw 600,000 and 4,000,000 and intercalated clays are reported. The inorganic additives used were lithiated bentonite and the nanocomposite PEO-bentonite with the same polymer used as matrix. SPE films, obtained in the scale of grams by mixing the components in a Brabender-type batch mixer and molding at 130 °C, were characterized by X-ray diffraction analysis, UV–vis spectroscopy, and thermal analysis. During the preparation of the films, the unmodified clay got intercalated in situ. Comparative analysis of ionic conductivity and mechanical properties of the films show that the conductivity increases with the inclusion of fillers, especially for the polymer with low molecular weight. This effect is more pronounced when using PEO-bentonite as additive. Under selected work conditions, avoiding the presence of crystalline lithium complexes, observed effects are mainly centered on the polymer. An explanation, considering the higher affinity between the modified clay and PEO matrix which leads to differences in the micro homogeneity degree between both types of polymer electrolytes is proposed.

Quantification of air plasma chemistry for surface disinfection

International Nuclear Information System (INIS)

Pavlovich, Matthew J; Clark, Douglas S; Graves, David B

2014-01-01

Atmospheric-pressure air plasmas, created by a variety of discharges, are promising sources of reactive species for the emerging field of plasma biotechnology because of their convenience and ability to operate at ambient conditions. One biological application of ambient-air plasma is microbial disinfection, and the ability of air plasmas to decontaminate both solid surfaces and liquid volumes has been thoroughly established in the literature. However, the mechanism of disinfection and which reactive species most strongly correlate with antimicrobial effects are still not well understood. We describe quantitative gas-phase measurements of plasma chemistry via infrared spectroscopy in confined volumes, focusing on air plasma generated via surface micro-discharge (SMD). Previously, it has been shown that gaseous chemistry is highly sensitive to operating conditions, and the measurements we describe here extend those findings. We quantify the gaseous concentrations of ozone (O 3 ) and nitrogen oxides (NO and NO 2 , or NO x ) throughout the established ‘regimes’ for SMD air plasma chemistry: the low-power, ozone-dominated mode; the high-power, nitrogen oxides-dominated mode; and the intermediate, unstable transition region. The results presented here are in good agreement with previously published experimental studies of aqueous chemistry and parameterized models of gaseous chemistry. The principal finding of the present study is the correlation of bacterial inactivation on dry surfaces with gaseous chemistry across these time and power regimes. Bacterial decontamination is most effective in ‘NO x mode’ and less effective in ‘ozone mode’, with the weakest antibacterial effects in the transition region. Our results underscore the dynamic nature of air plasma chemistry and the importance of careful chemical characterization of plasma devices intended for biological applications. (paper)

Quantification of air plasma chemistry for surface disinfection

Science.gov (United States)

Pavlovich, Matthew J.; Clark, Douglas S.; Graves, David B.

2014-12-01

Atmospheric-pressure air plasmas, created by a variety of discharges, are promising sources of reactive species for the emerging field of plasma biotechnology because of their convenience and ability to operate at ambient conditions. One biological application of ambient-air plasma is microbial disinfection, and the ability of air plasmas to decontaminate both solid surfaces and liquid volumes has been thoroughly established in the literature. However, the mechanism of disinfection and which reactive species most strongly correlate with antimicrobial effects are still not well understood. We describe quantitative gas-phase measurements of plasma chemistry via infrared spectroscopy in confined volumes, focusing on air plasma generated via surface micro-discharge (SMD). Previously, it has been shown that gaseous chemistry is highly sensitive to operating conditions, and the measurements we describe here extend those findings. We quantify the gaseous concentrations of ozone (O3) and nitrogen oxides (NO and NO2, or NOx) throughout the established ‘regimes’ for SMD air plasma chemistry: the low-power, ozone-dominated mode; the high-power, nitrogen oxides-dominated mode; and the intermediate, unstable transition region. The results presented here are in good agreement with previously published experimental studies of aqueous chemistry and parameterized models of gaseous chemistry. The principal finding of the present study is the correlation of bacterial inactivation on dry surfaces with gaseous chemistry across these time and power regimes. Bacterial decontamination is most effective in ‘NOx mode’ and less effective in ‘ozone mode’, with the weakest antibacterial effects in the transition region. Our results underscore the dynamic nature of air plasma chemistry and the importance of careful chemical characterization of plasma devices intended for biological applications.

Mechanical properties of bioplastics cassava starch film with Zinc Oxide nanofiller as reinforcement

Science.gov (United States)

Harunsyah; Yunus, M.; Fauzan, Reza

2017-06-01

This study focuses on investigating the influence of zinc oxide nanofiller on the mechanical properties of bioplastic cassava starch films. Bioplastic cassava starch film-based zinc oxide reinforced composite biopolymeric films were prepared by casting technique. The content of zinc oxide in the bioplastic films was varied from 0.2%, 0.4%, 0.6%, 0.8% and 1.0% (w/w) by weight of starch. Surface morphologies of the composites bioplastic films were examined by scanning electron microscope (SEM).The result showed that the Tensile strength (TS) was improved significantly with the additional of zinc oxide but the elongation at break (EB %) of the composites was decreased. The maximum tensile strength obtained was 22.30 kgf / mm on the additional of zinc oxide by 0.6% and plastilizer by 25%. Based on data of FTIR, the produced film plastic did not change the group function and it can be concluded that theinteraction in film plastic produced was only a physical interaction. Biodegradable plastic film based on cassava starch-zinc oxide and plasticizer glycerol showed that interesting mechanical properties being transparent, clear, homogeneous, flexible, and easily handled.

Explosive hazards in polyaniline chemistry

Czech Academy of Sciences Publication Activity Database

Stejskal, Jaroslav; Bober, Patrycja; Trchová, Miroslava; Prokeš, J.

2017-01-01

Roč. 71, č. 2 (2017), s. 387-392 ISSN 0366-6352 R&D Projects: GA ČR(CZ) GA13-00270S Institutional support: RVO:61389013 Keywords : polyaniline * oxidation of aniline * safety hazards Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 1.258, year: 2016

Some physical properties of (Bi2O3)x(BaO)0.5-x(B2O3)0.5 glasses

Czech Academy of Sciences Publication Activity Database

Tichý, Ladislav; Tichá, H.; Herzigová, L.; Ožďanová, J.

2011-01-01

Roč. 126, 1-2 (2011), s. 289-294 ISSN 0254-0584 Institutional research plan: CEZ:AV0Z40500505 Keywords : oxide glasses * Raman spectroscopy * optical properties Subject RIV: CA - Inorganic Chemistry Impact factor: 2.234, year: 2011

Effect of Preparation Method on Catalytic Properties of Co-Mn-Al Mixed Oxides for N2O Decomposition.

Czech Academy of Sciences Publication Activity Database

Klyushina, A.; Pacultová, K.; Karásková, K.; Jirátová, Květa; Ritz, M.; Fridrichová, D.; Volodorskaja, A.; Obalová, L.

2016-01-01

Roč. 425, DEC 15 (2016), s. 237-247 ISSN 1381-1169 R&D Projects: GA ČR GA14-13750S Institutional support: RVO:67985858 Keywords : Co-Mn-Al mixed oxide * N2O decomposition * preparation methods Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 4.211, year: 2016

Interface Controlled Oxidation States in Layered Cobalt Oxide Nanoislands on Gold

DEFF Research Database (Denmark)

Walton, Alexander; Fester, Jakob; Bajdich, Michal

2015-01-01

Layered cobalt oxides have been shown to be highly active catalysts for the oxygen evolution reaction (OER; half of the catalytic “water splitting” reaction), particularly when promoted with gold. However, the surface chemistry of cobalt oxides and in particular the nature of the synergistic effect...

On the chemistry of ethanol on basic oxides: revising mechanisms and intermediates in the Lebedev and Guerbet reactions.

Science.gov (United States)

Chieregato, Alessandro; Velasquez Ochoa, Juliana; Bandinelli, Claudia; Fornasari, Giuseppe; Cavani, Fabrizio; Mella, Massimo

2015-01-01

A common way to convert ethanol into chemicals is by upgrading it over oxide catalysts with basic features; this method makes it possible to obtain important chemicals such as 1-butanol (Guerbet reaction) and 1,3-butadiene (Lebedev reaction). Despite their long history in chemistry, the details of the close inter-relationship of these reactions have yet to be discussed properly. Our present study focuses on reactivity tests, in situ diffuse reflectance infrared Fourier transform spectroscopy, MS analysis, and theoretical modeling. We used MgO as a reference catalyst with pure basic features to explore ethanol conversion from its very early stages. Based on the obtained results, we formulate a new mechanistic theory able to explain not only our results but also most of the scientific literature on Lebedev and Guerbet chemistry. This provides a rational description of the intermediates shared by the two reaction pathways as well as an innovative perspective on the catalyst requirements to direct the reaction pathway toward 1-butanol or butadiene. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Disequilibrium Chemistry in the Solar Nebula and Early Solar System: Implications for the Chemistry of Comets

Science.gov (United States)

Fegley, Bruce, Jr.

1997-12-01

A growing body of observations demonstrates that comets, like the chondritic meteorites, are disequilibrium assemblages, whose chemistry and molecular composition cannot be explained solely on the basis of models of equilibrium condensation in the solar nebula. These observations include: (1) The coexistence of reduced (e.g., CH4 and organics) and oxidized (e.g., CO, CO2, and H2CO) carbon compounds observed in the gas and dust emitted by comet P/Halley; (2) The coexistence of reduced (e.g., NH3) and oxidized (e.g., N2) nitrogen compounds in the gas emitted by comet P/Halley; (3) The observation of large amounts of formaldehyde in the gas emitted by comet P/Halley (H2CO/H2O approx. 1.5 - 4%) and by comet Machholz (1988j). Formaldehyde would be rapidly destroyed by thermal processing in the solar nebula and must be formed by some disequilibrating process either in the solar nebula or in some presolar environment. (4) The observation of large amounts of the oxidized carbon gases CO and CO2 in comet P/Halley at levels far exceeding those predicted by chemical equilibrium models of solar nebula carbon chemistry. In fact, oxidized carbon gases (CO+ C02 + H2CO) are the most abundant volatile (after water vapor) emitted by comet P/Halley. (5) The observation of HCN, which is not a predicted low temperature condensate in the solar nebula (e.g., Lewis 1972), in comet P/Halley (e.g., Schloerb et al. 1987) and in comet Kohoutek. (6) The observation of S2, which is argued to be a parent molecule vaporized from the nucleus, in comet IRAS-Araki-Alcock (1983d) by A'Hearn et aL (1983) and Feldman et al. (1984). This molecule is not an equilibrium condensate in the solar nebula and must result from disequilibrium chemistry. (7) The deduction that organic grains (C-H-O-N particles) comprise about 30% of the dust emitted by comet P/Halley and that about 75% of the total carbon inventory of Halley is in these grains also implies substantial disequilibrium chemistry. (8) The deductions

Eleventh international conference on boron chemistry. Programme and abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2002-07-01

Abstracts of reports at the Eleventh International Conference on Boron Chemistry are presented. Born chemistry as a connecting bridge between many fields maintains one of the leading positions in modern chemistry. Methods of synthesis of different boron compounds, properties of the compounds, their use in other regions of chemistry and medicine are widely presented in reports.

Eleventh international conference on boron chemistry. Programme and abstracts

International Nuclear Information System (INIS)

2002-01-01

Abstracts of reports at the Eleventh International Conference on Boron Chemistry are presented. Born chemistry as a connecting bridge between many fields maintains one of the leading positions in modern chemistry. Methods of synthesis of different boron compounds, properties of the compounds, their use in other regions of chemistry and medicine are widely presented in reports [ru

Oxidation of propane with oxygen, nitrous oxide and oxygen/nitrous oxide mixture over Co- and Fe-zeolites

Czech Academy of Sciences Publication Activity Database

Novoveská, K.; Bulánek, R.; Wichterlová, Blanka

2005-01-01

Roč. 100, 3-4 (2005), s. 315-319 ISSN 0920-5861 R&D Projects: GA ČR(CZ) GA104/03/1120 Institutional research plan: CEZ:AV0Z40400503 Keywords : propene * propane oxidation * nitrous oxide * Fe-ZSM-5 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.365, year: 2005

The oxidation of hydrogen cyanide and related chemistry

DEFF Research Database (Denmark)

Dagaut, Philippe; Glarborg, Peter; Alzueta, Maria U.

2008-01-01

For modeling the formation of nitrogen oxides in combustion via both the prompt-NO and the fuel-NO mechanisms, as well as for modeling the reduction of nitrogen oxides via reburning, a good knowledge of the kinetics of oxidation of hydrogen cyanide (HCN) is required. The formation routes to HCN a...

Study of mechanism involved in synthesis of graphene oxide and reduced graphene oxide from graphene nanoplatelets

Science.gov (United States)

Sharma, Bhasha; Shekhar, Shashank; Malik, Parul; Jain, Purnima

2018-06-01

Graphene, a wonder material has inspired quest among researchers due to its numerous applications and exceptional properties. This paper highlights the mechanism and chemistry behind the fabrication of graphene oxide by using phosphoric acid. Chemical functionalization is of prime importance which avoids agglomeration of nanoparticles to attain inherent properties. As non-homogeneous dispersion limits its utilization due to interfacial interactions which restrict reactive sites to produce intercalated network. Thus, chemically functionalized graphene leads to stable dispersion and enhances thermal, mechanical and electrical properties of the resultant polymer composite materials. Solubility of graphene in aqueous solution is the major issue because graphene is hydrophobic, to rectify this oxygen containing hydrophilic groups must be introduced to make it compatible and this can be attained by covalent functionalization. Among all nanofiller GO has shown average particle size i.e. 95 nm and highest surface charge density. The characteristic changes were estimated using Raman spectra.

Influence of Zn injection on corrosion behavior and oxide film characteristics of 304 stainless steel in borated and lithiated high temperature water

International Nuclear Information System (INIS)

Wu, Xinqiang; Liu, Xiahe; Han, En-Hou; Ke, Wei

2012-09-01

Water chemistry of the reactor coolant system plays a major role in maintaining safety and reliability of light water reactor nuclear power plants (NPPs). Zn water chemistry into pressurized water reactors (PWRs) in order to reduce the radiation buildup in primary coolant system has been widely applied, and the reduction effect has been experimentally confirmed. Zn injection can also lessen the corrosion phenomena in high temperature pressurized water by changing oxide films formed on components materials. Both the radiation buildup and material corrosion resistance in PWR coolant system are closely dependent on the oxide films formed. However, the influence of Zn injection on the chemical composition and structure of the oxide films on their protective properties is still a matter of considerable debate. The influence of Zn injection on corrosion inhibition and environmental degradation has not been fully clarified yet. Therefore, the understanding of corrosion behaviour, oxide film characteristics and their protective property is of significance to clarify the environmentally assisted material failure problems in NPPs. In the present work, oxide films formed on nuclear-grade 304 SS exposed to borated and lithiated high temperature water environments at 300 deg. C up to 4000 h with or without 10 ppb Zn injection were investigated ex-situ. Without Zn injection, the oxide films mainly consisted of Fe 3 O 4 and FeCr 2 O 4 . With Zn injection, ZnFe 2 O 4 and ZnCr 2 O 4 were detected in the oxide films at the initial stage of immersion and ZnCr 2 O 4 became dominant after long-term immersion. It was believed that the above Zn-Fe and Zn-Cr spinel oxides were formed by substitution reactions between Zn 2+ and Fe 2+ . At the initial stage of immersion, water chemistry significantly affected the formation of the oxide films. Once a stable oxide film formed, it is rather difficult to change its structure through changing water chemistry. The potential-pH diagrams for Zn

Spins in chemistry

CERN Document Server

McWeeny, Roy

2004-01-01

Originally delivered as a series of lectures, this volume systematically traces the evolution of the ""spin"" concept from its role in quantum mechanics to its assimilation into the field of chemistry. Author Roy McWeeny presents an in-depth illustration of the deductive methods of quantum theory and their application to spins in chemistry, following the path from the earliest concepts to the sophisticated physical methods employed in the investigation of molecular structure and properties. Starting with the origin and development of the spin concept, the text advances to an examination of sp

Dynamic Combinatorial Chemistry

DEFF Research Database (Denmark)

Lisbjerg, Micke

This thesis is divided into seven chapters, which can all be read individually. The first chapter, however, contains a general introduction to the chemistry used in the remaining six chapters, and it is therefore recommended to read chapter one before reading the other chapters. Chapter 1...... is a general introductory chapter for the whole thesis. The history and concepts of dynamic combinatorial chemistry are described, as are some of the new and intriguing results recently obtained. Finally, the properties of a broad range of hexameric macrocycles are described in detail. Chapter 2 gives...

Recent development in computational actinide chemistry

International Nuclear Information System (INIS)

Li Jun

2008-01-01

Ever since the Manhattan project in World War II, actinide chemistry has been essential for nuclear science and technology. Yet scientists still seek the ability to interpret and predict chemical and physical properties of actinide compounds and materials using first-principle theory and computational modeling. Actinide compounds are challenging to computational chemistry because of their complicated electron correlation effects and relativistic effects, including spin-orbit coupling effects. There have been significant developments in theoretical studies on actinide compounds in the past several years. The theoretical capabilities coupled with new experimental characterization techniques now offer a powerful combination for unraveling the complexities of actinide chemistry. In this talk, we will provide an overview of our own research in this field, with particular emphasis on applications of relativistic density functional and ab initio quantum chemical methods to the geometries, electronic structures, spectroscopy and excited-state properties of small actinide molecules such as CUO and UO 2 and some large actinide compounds relevant to separation and environment science. The performance of various density functional approaches and wavefunction theory-based electron correlation methods will be compared. The results of computational modeling on the vibrational, electronic, and NMR spectra of actinide compounds will be briefly discussed as well [1-4]. We will show that progress in relativistic quantum chemistry, computer hardware and computational chemistry software has enabled computational actinide chemistry to emerge as a powerful and predictive tool for research in actinide chemistry. (authors)

A comprehensive skeletal mechanism for the oxidation of n-heptane generated by chemistry-guided reduction

Energy Technology Data Exchange (ETDEWEB)

Zeuch, Thomas [Institut fuer Physikalische Chemie, Tammannstrasse 6, 37077 Goettingen (Germany); Moreac, Gladys [Renault, 1, avenue du Golf, 78288 Guyancourt cedex (France); Ahmed, Syed Sayeed; Mauss, Fabian [Lehrstuhl fuer Thermodynamik und Thermische Verfahrenstechnik, Sielower Strasse 12, 03044 Cottbus (Germany)

2008-12-15

Applied to the primary reference fuel n-heptane, we present the chemistry-guided reduction (CGR) formalism for generating kinetic hydrocarbon oxidation models. The approach is based on chemical lumping and species removal with the necessity analysis method, a combined reaction flow and sensitivity analysis. Independent of the fuel size, the CGR formalism generates very compact submodels for the alkane low-temperature oxidation and provides a general concept for the development of compact oxidation models for large model fuel components such as n-decane and n-tetradecane. A defined sequence of simplification steps, consisting of the compilation of a compact detailed chemical model, the application of linear chemical lumping, and finally species removal based on species necessity values, allows a significantly increased degree of reduction compared to the simple application of the necessity analysis, previously published species, or reaction removal methods. The skeletal model derived by this procedure consists of 110 species and 1170 forward and backward reactions and is validated against the full range of combustion conditions including low and high temperatures, fuel-lean and fuel-rich mixtures, pressures between 1 and 40 bar, and local (species concentration profiles in flames, plug flow and jet-stirred reactors, and reaction sensitivity coefficients) and global parameters (ignition delay times in shock tube experiments, ignition timing in a HCCI engine, and flame speeds). The species removal is based on calculations using a minimum number of parameter configurations, but complemented by a very broad parameter variation in the process of compiling the kinetic input data. We further demonstrate that the inclusion of sensitivity coefficients in the validation process allows efficient control of the reduction process. Additionally, a compact high-temperature n-heptane oxidation model of 47 species and 468 reactions was generated by the application of necessity

Laboratory Studies of Hydrocarbon Oxidation Mechanisms

Science.gov (United States)

Orlando, J. J.; Tyndall, G. S.; Wallington, T. J.; Burkholder, J. B.; Bertman, S. B.; Chen, W.

2001-12-01

The oxidation of hydrocarbon species (alkanes, alkenes, halogenated species, and oxygenates of both natural and anthropogenic origin) in the troposphere leads to the generation of numerous potentially harmful secondary pollutants, such as ozone, organic nitrates and acids, and aerosols. These oxidations proceed via the formation of alkoxy radicals, whose complex chemistry controls the ultimate product distributions obtained. Studies of hydrocarbon oxidation mechanisms are ongoing at NCAR and Ford, using environmental chamber / FTIR absorption systems. The focus of these studies is often on the product distributions obtained at low temperature; these studies not only provide data of direct relevance to the free/upper troposphere, but also allow for a more fundamental understanding of the alkoxy radical chemistry (eg., from the determination of the Arrhenius parameters for unimolecular processes, and the quantification of the extent of the involvement of chemical activation in the alkoxy radical chemistry). In this paper, data will be presented on some or all of the following topics: kinetics/mechanisms for the reactions of OH with the unsaturated species MPAN, acrolein, and crotonaldehyde; the mechanism for the oxidation of ethyl chloride and ethyl bromide; and the mechanism for the reaction of OH with acetone and acetaldehyde at low temperature. The relevance of the data to various aspects of tropospheric chemistry will be discussed.

Polyphenolic chemistry of tea and coffee: a century of progress.

Science.gov (United States)

Wang, Yu; Ho, Chi-Tang

2009-09-23

Tea and coffee, the most popular beverages in the world, have been consumed for thousands of years for their alluring flavors and health benefits. Polyphenols, particularly flavonoids and phenolic acids, are of great abundance in tea and coffee and contribute a lot to their flavor and health properties. This paper reviews the polyphenol chemistry of tea and coffee, specifically their stability, and scavenging ability of reactive oxygen species (ROS) and reactive carbonyl species (RCS). During the manufacturing and brewing process, green tea and black tea polyphenols undergo epimerization and oxidation, respectively. Meanwhile, the lactonization and the polymerization of chlorogenic acid are the major causes for the degradation of polyphenols in coffee. Tea catechins, besides having antioxidant properties, have the novel characteristic of trapping reactive carbonyl species. The A ring of the catechins is the binding site for RCS trapping, whereas the B ring is the preferred site for antioxidation.

Oxide-ion and proton conducting electrolyte materials for clean energy applications: structural and mechanistic features.

Science.gov (United States)

Malavasi, Lorenzo; Fisher, Craig A J; Islam, M Saiful

2010-11-01

This critical review presents an overview of the various classes of oxide materials exhibiting fast oxide-ion or proton conductivity for use as solid electrolytes in clean energy applications such as solid oxide fuel cells. Emphasis is placed on the relationship between structural and mechanistic features of the crystalline materials and their ion conduction properties. After describing well-established classes such as fluorite- and perovskite-based oxides, new materials and structure-types are presented. These include a variety of molybdate, gallate, apatite silicate/germanate and niobate systems, many of which contain flexible structural networks, and exhibit different defect properties and transport mechanisms to the conventional materials. It is concluded that the rich chemistry of these important systems provides diverse possibilities for developing superior ionic conductors for use as solid electrolytes in fuel cells and related applications. In most cases, a greater atomic-level understanding of the structures, defects and conduction mechanisms is achieved through a combination of experimental and computational techniques (217 references).

Microstructure and mechanical properties of multi-components rare earth oxide-doped molybdenum alloys

International Nuclear Information System (INIS)

Zhang Guojun; Sun Yuanjun; Zuo Chao; Wei Jianfeng; Sun Jun

2008-01-01

Pure molybdenum and molybdenum alloys doped with two- or three-components rare earth oxide particles were prepared by powder metallurgy. Both the tensile property and fracture toughness of the pure molybdenum and multi-components rare earth oxide-doped molybdenum alloys were determined at room temperature. The multi-components rare earth oxide-doped molybdenum alloys are fine grained and contain a homogeneous distribution of fine particles in the submicron and nanometer size ranges, which is why the molybdenum alloys have higher strength and fracture toughness than pure molybdenum. Quantitative analysis is used to explain the increase in yield strength with respect to grain size and second phase strengthening. Furthermore, the relationship between the tensile properties and microstructural parameters is quantitatively established

Vanadium Doped Tungsten Oxide Material - Electrical Physical and Sensing Properties

Directory of Open Access Journals (Sweden)

Shishkin N. Y.

2008-05-01

Full Text Available The electrical physical and sensing (to VOCs and inorganic gases properties of vanadium doped tungsten oxide in the regions of phase transition temperature were investigated. Vanadium oxide (II dimerization was observed in the doped material, corresponding to new phase transition. The extreme sensitivity and selectivity to chemically active gases and vapors in small concentrations: CO, NOx, NH3 acetone, ethanol near phase transitions temperature was found. Sensor elements were manufactured for the quantitative detection (close to 1 ppm of alcohol and ammonia.

Influence of Catalyst Acid/Base Properties in Acrolein Production by Oxidative Coupling of Ethanol and Methanol.

Science.gov (United States)

Lilić, Aleksandra; Bennici, Simona; Devaux, Jean-François; Dubois, Jean-Luc; Auroux, Aline

2017-05-09

Oxidative coupling of methanol and ethanol represents a new route to produce acrolein. In this work, the overall reaction was decoupled in two steps, the oxidation and the aldolization, by using two consecutive reactors to investigate the role of the acid/base properties of silica-supported oxide catalysts. The oxidation of a mixture of methanol and ethanol to formaldehyde and acetaldehyde was performed over a FeMoO x catalyst, and then the product mixture was transferred without intermediate separation to a second reactor, in which the aldol condensation and dehydration to acrolein were performed over the supported oxides. The impact of the acid/base properties on the selectivity towards acrolein was investigated under oxidizing conditions for the first time. The acid/base properties of the catalysts were investigated by NH 3 -, SO 2 -, and methanol-adsorption microcalorimetry. A MgO/SiO 2 catalyst was the most active in acrolein production owing to an appropriate ratio of basic to acidic sites. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Concentration-dependent toxicity of iron oxide nanoparticles mediated by increased oxidative stress

Directory of Open Access Journals (Sweden)

Saba Naqvi

2010-11-01

Full Text Available Saba Naqvi1, Mohammad Samim2, MZ Abdin3, Farhan Jalees Ahmed4, AN Maitra5, CK Prashant6, Amit K Dinda61Faculty of Engineering and Interdisciplinary Sciences, 2Department of Chemistry, 3Department of Biotechnology, Faculty of Science, 4Department of Pharmaceutics, Faculty of Pharmacy, Jamia Hamdard, Hamdard University, 5Department of Chemistry, University of Delhi, 6Department of Pathology, All India Institute of Medical Sciences, New Delhi, IndiaAbstract: Iron oxide nanoparticles with unique magnetic properties have a high potential for use in several biomedical, bioengineering and in vivo applications, including tissue repair, magnetic resonance imaging, immunoassay, drug delivery, detoxification of biologic fluids, cell sorting, and hyperthermia. Although various surface modifications are being done for making these nonbiodegradable nanoparticles more biocompatible, their toxic potential is still a major concern. The current in vitro study of the interaction of superparamagnetic iron oxide nanoparticles of mean diameter 30 nm coated with Tween 80 and murine macrophage (J774 cells was undertaken to evaluate the dose- and time-dependent toxic potential, as well as investigate the role of oxidative stress in the toxicity. A 15–30 nm size range of spherical nanoparticles were characterized by transmission electron microscopy and zeta sizer. MTT assay showed >95% viability of cells in lower concentrations (25–200 µg/mL and up to three hours of exposure, whereas at higher concentrations (300–500 µg/mL and prolonged (six hours exposure viability reduced to 55%–65%. Necrosis-apoptosis assay by propidium iodide and Hoechst-33342 staining revealed loss of the majority of the cells by apoptosis. H2DCFDDA assay to quantify generation of intracellular reactive oxygen species (ROS indicated that exposure to a higher concentration of nanoparticles resulted in enhanced ROS generation, leading to cell injury and death. The cell membrane injury

Comparative Evaluation of Some Properties of Native and Oxidized ...

African Journals Online (AJOL)

The study was designed to produce native starches from cassava, yam and rice, and to modify a portion of the native starches by oxidation and compare their properties. The modification process was carried out by treating the native starches with food grade sodium hypochlorite (NaOCl). The proximate, swelling index and ...

Controlling of morphology and electrocatalytic properties of cobalt oxide nanostructures prepared by potentiodynamic deposition method

Energy Technology Data Exchange (ETDEWEB)

Hallaj, Rahman [Department of Chemistry, University of Kurdistan, P.O. Box 416, Sanandaj (Iran, Islamic Republic of); Akhtari, Keivan [Department of Chemistry, University of Kurdistan, P.O. Box 416, Sanandaj (Iran, Islamic Republic of); Research Center for Nanotechnology, University of Kurdistan, P.O.Box 416, Sanandaj (Iran, Islamic Republic of); Salimi, Abdollah, E-mail: absalimi@uok.ac.ir [Department of Chemistry, University of Kurdistan, P.O. Box 416, Sanandaj (Iran, Islamic Republic of); Research Center for Nanotechnology, University of Kurdistan, P.O.Box 416, Sanandaj (Iran, Islamic Republic of); Soltanian, Saied [Department of Physics, University of Kurdistan, P.O. Box 416, Sanandaj (Iran, Islamic Republic of)

2013-07-01

Electrodeposited cobalt oxide nanostructures were prepared by Repetitive Triangular Potential Scans (RTPS) as a simple, remarkably fast and scalable potentiodynamic method. Electrochemical deposition of cobalt oxide nanostructures onto GC electrode was performed from aqueous Co(NO{sub 3}){sub 2}, (pH 6) solution using cyclic voltammetry method. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were used to characterize the morphology of fabricated nanostructures. The evaluation of electrochemical properties of deposited films was performed using cyclic voltametry (CV) and impedance spectroscopy (IS) techniques. The analysis of the experimental data clearly showed that the variations of potential scanning ranges during deposition process have drastic effects on the geometry, chemical structure and particle size of cobalt oxide nanoparticles. In addition, the electrochemical and electrocatalytic properties of prepared nanostructures can be controlled through applying different potential windows in electrodeposition process. The imaging and voltammetric studies suggested to the existence of at least three different shapes of cobalt-oxide nanostructures in various potential windows applied for electrodeposition. With enlarging the applied potential window, the spherical-like cobalt oxide nanoparticles with particles sizes about 30–50 nm changed to the grain-like structures (30 nm × 80 nm) and then to the worm-like cobalt oxide nanostructures with 30 nm diameter and 200–400 nm in length. Furthermore, the roughness of the prepared nanostructures increased with increasing positive potential window. The GC electrodes modified with cobalt oxide nanostructures shows excellent electrocatalytic activity toward H{sub 2}O{sub 2} and As (III) oxidation. The electrocatalytic activity of cobalt oxide nanostructures prepared at more positive potential window toward hydrogen peroxide oxidation was increased, while for As(III) oxidation the electrocatalytic

Controlling of morphology and electrocatalytic properties of cobalt oxide nanostructures prepared by potentiodynamic deposition method

International Nuclear Information System (INIS)

Hallaj, Rahman; Akhtari, Keivan; Salimi, Abdollah; Soltanian, Saied

2013-01-01

Electrodeposited cobalt oxide nanostructures were prepared by Repetitive Triangular Potential Scans (RTPS) as a simple, remarkably fast and scalable potentiodynamic method. Electrochemical deposition of cobalt oxide nanostructures onto GC electrode was performed from aqueous Co(NO 3 ) 2 , (pH 6) solution using cyclic voltammetry method. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) were used to characterize the morphology of fabricated nanostructures. The evaluation of electrochemical properties of deposited films was performed using cyclic voltametry (CV) and impedance spectroscopy (IS) techniques. The analysis of the experimental data clearly showed that the variations of potential scanning ranges during deposition process have drastic effects on the geometry, chemical structure and particle size of cobalt oxide nanoparticles. In addition, the electrochemical and electrocatalytic properties of prepared nanostructures can be controlled through applying different potential windows in electrodeposition process. The imaging and voltammetric studies suggested to the existence of at least three different shapes of cobalt-oxide nanostructures in various potential windows applied for electrodeposition. With enlarging the applied potential window, the spherical-like cobalt oxide nanoparticles with particles sizes about 30–50 nm changed to the grain-like structures (30 nm × 80 nm) and then to the worm-like cobalt oxide nanostructures with 30 nm diameter and 200–400 nm in length. Furthermore, the roughness of the prepared nanostructures increased with increasing positive potential window. The GC electrodes modified with cobalt oxide nanostructures shows excellent electrocatalytic activity toward H 2 O 2 and As (III) oxidation. The electrocatalytic activity of cobalt oxide nanostructures prepared at more positive potential window toward hydrogen peroxide oxidation was increased, while for As(III) oxidation the electrocatalytic activity decreased

Comprehensive coordination chemistry. The synthesis, reactions, properties and applications of coordination compounds. V.3. Main group and early transition elements

International Nuclear Information System (INIS)

Wilkinson, Geoffrey; Gillard, R.D.; McCleverty, J.A.

1987-01-01

Comprehensive coordination chemistry reviews the synthesis reactions and properties of coordination compounds. Their uses in such diverse fields as nuclear fuels, toxicology, medicine and biology are discussed. Volume three concentrates on the main group and early transition element coordination compounds. (UK)

Synthesis and properties of hexafluoroisopropylidene-containing sulfonated poly(arylene thioether phosphine oxide)s for proton exchange membranes

Energy Technology Data Exchange (ETDEWEB)

Gui, Longyong; Zhang, Chunjie; Kang, Sen; Tan, Ning; Xiao, Guyu; Yan, Deyue [College of Chemistry and Chemical Engineering, The State Key Laboratory of Metal Matrix Composites, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China)

2010-03-15

A series of novel sulfonated poly(arylene thioether phosphine oxide)s with hexafluoroisopropylidene moieties (sPTPOF) were prepared by polycondensation of sulfonated bis(4-fluorophenyl)phenyl phosphine oxide and bis(4-fluorophenyl)phenyl phosphine oxide with 4,4'-(hexafluoroisopropylidene) diphenthiol. The incorporation of hexafluoroisopropylidene moieties to the resulting polymers is effective to increase the hydrophobicity of non-sulfonated segments and to decrease the swelling while maintaining high proton conductivity. For instance, sPTPOF-100 showed a proton conductivity of 0.090 S/cm as well as a swelling of 5.3% at 80 C. In addition, the sPTPOF polymers exhibited excellent thermal properties and oxidative stability. AFM phase images illustrated that the sPTPOF membranes show a special nanophase-separated morphology, namely, the connectivity of ionic channels increased obviously but their width only slightly increased with increasing sulfonation degree. This special microstructure is favorable for promoting proton transport and restraining the swelling. The sPTPOF polymers are a promising material for proton exchange membranes. (author)

Maximizing the Adjacent Possible in Automata Chemistries.

Science.gov (United States)

Hickinbotham, Simon; Clark, Edward; Nellis, Adam; Stepney, Susan; Clarke, Tim; Young, Peter

2016-01-01

Automata chemistries are good vehicles for experimentation in open-ended evolution, but they are by necessity complex systems whose low-level properties require careful design. To aid the process of designing automata chemistries, we develop an abstract model that classifies the features of a chemistry from a physical (bottom up) perspective and from a biological (top down) perspective. There are two levels: things that can evolve, and things that cannot. We equate the evolving level with biology and the non-evolving level with physics. We design our initial organisms in the biology, so they can evolve. We design the physics to facilitate evolvable biologies. This architecture leads to a set of design principles that should be observed when creating an instantiation of the architecture. These principles are Everything Evolves, Everything's Soft, and Everything Dies. To evaluate these ideas, we present experiments in the recently developed Stringmol automata chemistry. We examine the properties of Stringmol with respect to the principles, and so demonstrate the usefulness of the principles in designing automata chemistries.

Protective properties of artichoke (Cynara scolymus) against oxidative stress induced in cultured endothelial cells and monocytes.

Science.gov (United States)

Zapolska-Downar, Danuta; Zapolski-Downar, Andrzej; Naruszewicz, Marek; Siennicka, Aldona; Krasnodebska, Barbara; Kołdziej, Blanka

2002-11-01

It is currently believed that oxidative stress and inflammation play a significant role in atherogenesis. Artichoke extract exhibits hypolipemic properties and contains numerous active substances with antioxidant properties in vitro. We have studied the influence of aqueous and ethanolic extracts from artichoke on intracellular oxidative stress stimulated by inflammatory mediators (TNFalpha and LPS) and ox-LDL in endothelial cells and monocytes. Oxidative stress which reflects the intracellular production of reactive oxygen species (ROS) was followed by measuring the oxidation of 2', 7'-dichlorofluorescin (DCFH) to 2', 7'-dichlorofluorescein (DCF). Agueous and ethanolic extracts from artichoke were found to inhibit basal and stimulated ROS production in endothelial cells and monocytes in dose dependent manner. In endothelial cells, the ethanolic extract (50 microg/ml) reduced ox-LDL-induced intracellular ROS production by 60% (partichoke extracts have marked protective properties against oxidative stress induced by inflammatory mediators and ox-LDL in cultured endothelial cells and monocytes.

Surface chemistry on interstellar oxide grains

International Nuclear Information System (INIS)

Denison, P.; Williams, D.A.

1981-01-01

Detailed calculations are made to test the predictions of Duley, Millar and Williams (1978) concerning the chemical reactivity of interstellar oxide grains. A method is established for calculating interaction energies between atoms and the perfect crystal with or without surface vacancy sites. The possibility of reactions between incident atoms and absorbed atoms is investigated. It is concluded that H 2 formation can occur on the perfect crystal surfaces, and that for other diatomic molecules the important formation sites are the Fsub(s)- and V 2- sub(s)-centres. The outline by Duley, Millar and Williams (1979) of interstellar oxide grain growth and destruction is justified by these calculations. (author)

Ab-initio modelling of thermodynamics and kinetics of point defects in indium oxide

International Nuclear Information System (INIS)

Agoston, Peter; Klein, Andreas; Albe, Karsten; Erhart, Paul

2008-01-01

The electrical and optical properties of indium oxide films strongly vary with the processing parameters. Especially the oxygen partial pressure and temperature determine properties like electrical conductivity, composition and transparency. Since this material owes its remarkable properties like the intrinsic n-type conductivity to its defect chemistry, it is important to understand both, the equilibrium defect thermodynamics and kinetics of the intrinsic point defects. In this contribution we present a defect model based on DFT total energy calculations using the GGA+U method. Further, the nudged elastic band method is employed in order to obtain a set of migration barriers for each defect species. Due to the complicated crystal structure of indium oxide a Kinetic Monte-Carlo algorithm was implemented, which allows to determine diffusion coefficients. The bulk tracer diffusion constant is predicted as a function of oxygen partial pressure, Fermi level and temperature for the pure material

Effect of native oxide layers on copper thin-film tensile properties: A reactive molecular dynamics study

Energy Technology Data Exchange (ETDEWEB)

Skarlinski, Michael D., E-mail: michael.skarlinski@rochester.edu [Materials Science Program, University of Rochester, Rochester, New York 14627 (United States); Quesnel, David J. [Materials Science Program, University of Rochester, Rochester, New York 14627 (United States); Department of Mechanical Engineering, University of Rochester, Rochester, New York 14627 (United States)

2015-12-21

Metal-oxide layers are likely to be present on metallic nano-structures due to either environmental exposure during use, or high temperature processing techniques such as annealing. It is well known that nano-structured metals have vastly different mechanical properties from bulk metals; however, difficulties in modeling the transition between metallic and ionic bonding have prevented the computational investigation of the effects of oxide surface layers. Newly developed charge-optimized many body [Liang et al., Mater. Sci. Eng., R 74, 255 (2013)] potentials are used to perform fully reactive molecular dynamics simulations which elucidate the effects that metal-oxide layers have on the mechanical properties of a copper thin-film. Simulated tensile tests are performed on thin-films while using different strain-rates, temperatures, and oxide thicknesses to evaluate changes in yield stress, modulus, and failure mechanisms. Findings indicate that copper-thin film mechanical properties are strongly affected by native oxide layers. The formed oxide layers have an amorphous structure with lower Cu-O bond-densities than bulk CuO, and a mixture of Cu{sub 2}O and CuO charge character. It is found that oxidation will cause modifications to the strain response of the elastic modulii, producing a stiffened modulii at low temperatures (<75 K) and low strain values (<5%), and a softened modulii at higher temperatures. While under strain, structural reorganization within the oxide layers facilitates brittle yielding through nucleation of defects across the oxide/metal interface. The oxide-free copper thin-film yielding mechanism is found to be a tensile-axis reorientation and grain creation. The oxide layers change the observed yielding mechanism, allowing for the inner copper thin-film to sustain an FCC-to-BCC transition during yielding. The mechanical properties are fit to a thermodynamic model based on classical nucleation theory. The fit implies that the oxidation of the

Carbon mineralization and pyrite oxidation in groundwater: Importance for silicate weathering in boreal forest soils and stream base-flow chemistry

International Nuclear Information System (INIS)

Klaminder, J.; Grip, H.; Moerth, C.-M.; Laudon, H.

2011-01-01

Research highlights: → Organic compounds is mineralized during later transport in deep groundwater aquifers. → Carbonic acid generated by this process stimulates dissolution of silicate minerals. → Protons derived from pyrite oxidation also affects weathering in deep groundwater. → The identified weathering mechanisms affect base-flow chemistry in boreal streams. - Abstract: What role does mineralized organic C and sulfide oxidation play in weathering of silicate minerals in deep groundwater aquifers? In this study, how H 2 CO 3 , produced as a result of mineralization of organic matter during groundwater transport, affects silicate weathering in the saturated zone of the mineral soil along a 70 m-long boreal hillslope is demonstrated. Stream water measurements of base cations and δ 18 O are included to determine the importance of the deep groundwater system for downstream surface water. The results suggest that H 2 CO 3 generated from organic compounds being mineralized during the lateral transport stimulates weathering at depths between 0.5 and 3 m in the soil. This finding is indicated by progressively increasing concentrations of base cations-, silica- and inorganic C (IC) in the groundwater along the hillslope that co-occur with decreasing organic C (OC) concentrations. Protons derived from sulfide oxidation appear to be an additional driver of the weathering process as indicated by a build-up of SO 4 2- in the groundwater during lateral transport and a δ 34 S per mille value of +0.26-3.76 per mille in the deep groundwater indicating S inputs from pyrite. The two identified active acids in the deep groundwater are likely to control the base-flow chemistry of streams draining larger catchments (>1 km 2 ) as evident by δ 18 O signatures and base cation concentrations that overlap with that of the groundwater.

Carbon mineralization and pyrite oxidation in groundwater: Importance for silicate weathering in boreal forest soils and stream base-flow chemistry

Energy Technology Data Exchange (ETDEWEB)

Klaminder, J., E-mail: jonatan.klaminder@emg.umu.se [Department of Forest Ecology and Management, SLU, SE-901 83 Umea (Sweden)] [Department of Ecology and Environmental Science, Umea University, SE-901 87 (Sweden); Grip, H. [Department of Forest Ecology and Management, SLU, SE-901 83 Umea (Sweden); Moerth, C.-M. [Department of Geological Sciences, Stockholm University, 106 91 Stockholm (Sweden); Laudon, H. [Department of Forest Ecology and Management, SLU, SE-901 83 Umea (Sweden)

2011-03-15

Research highlights: {yields} Organic compounds is mineralized during later transport in deep groundwater aquifers. {yields} Carbonic acid generated by this process stimulates dissolution of silicate minerals. {yields} Protons derived from pyrite oxidation also affects weathering in deep groundwater. {yields} The identified weathering mechanisms affect base-flow chemistry in boreal streams. - Abstract: What role does mineralized organic C and sulfide oxidation play in weathering of silicate minerals in deep groundwater aquifers? In this study, how H{sub 2}CO{sub 3}, produced as a result of mineralization of organic matter during groundwater transport, affects silicate weathering in the saturated zone of the mineral soil along a 70 m-long boreal hillslope is demonstrated. Stream water measurements of base cations and {delta}{sup 18}O are included to determine the importance of the deep groundwater system for downstream surface water. The results suggest that H{sub 2}CO{sub 3} generated from organic compounds being mineralized during the lateral transport stimulates weathering at depths between 0.5 and 3 m in the soil. This finding is indicated by progressively increasing concentrations of base cations-, silica- and inorganic C (IC) in the groundwater along the hillslope that co-occur with decreasing organic C (OC) concentrations. Protons derived from sulfide oxidation appear to be an additional driver of the weathering process as indicated by a build-up of SO{sub 4}{sup 2-} in the groundwater during lateral transport and a {delta}{sup 34}S per mille value of +0.26-3.76 per mille in the deep groundwater indicating S inputs from pyrite. The two identified active acids in the deep groundwater are likely to control the base-flow chemistry of streams draining larger catchments (>1 km{sup 2}) as evident by {delta}{sup 18}O signatures and base cation concentrations that overlap with that of the groundwater.

Electrochemical analysis of metal oxides

Czech Academy of Sciences Publication Activity Database

Grygar, Tomáš; Bezdička, Petr; Hradil, David; Pikna, L.

90-91, - (2003), s. 45-50 ISSN 1012-0394 Institutional research plan: CEZ:AV0Z4032918 Keywords : powder electroanalysis * Fe oxides * Mn oxides Subject RIV: CA - Inorganic Chemistry Impact factor: 0.687, year: 2003

Optoelectronic properties of valence-state-controlled amorphous niobium oxide

Science.gov (United States)

Onozato, Takaki; Katase, Takayoshi; Yamamoto, Akira; Katayama, Shota; Matsushima, Koichi; Itagaki, Naho; Yoshida, Hisao; Ohta, Hiromichi

2016-06-01

In order to understand the optoelectronic properties of amorphous niobium oxide (a-NbO x ), we have investigated the valence states, local structures, electrical resistivity, and optical absorption of a-NbO x thin films with various oxygen contents. It was found that the valence states of Nb ion in a-NbO x films can be controlled from 5+  to 4+  by reducing oxygen pressure during film deposition at room temperature, together with changing the oxide-ion arrangement around Nb ion from Nb2O5-like to NbO2-like local structure. As a result, a four orders of magnitude reduction in the electrical resistivity of a-NbO x films was observed with decreasing oxygen content, due to the carrier generation caused by the appearance and increase of an oxygen-vacancy-related subgap state working as an electron donor. The tunable optoelectronic properties of a-NbO x films by valence-state-control with oxygen-vacancy formation will be useful for potential flexible optoelectronic device applications.

Improving methane gas sensing properties of multi-walled carbonnanotubes by vanadium oxide filling

CSIR Research Space (South Africa)

Chimowa, George

2017-08-01

Full Text Available Manipulation of electrical properties and hence gas sensing properties of multi-walled carbon nanotubes (MWNTs) by filling the inner wall with vanadium oxide is presented. Using a simple capillary technique, MWNTs are filled with vanadium metal...

Recent Advances in Atmospheric Chemistry of Mercury

Directory of Open Access Journals (Sweden)

Lin Si

2018-02-01

Full Text Available Mercury is one of the most toxic metals and has global importance due to the biomagnification and bioaccumulation of organomercury via the aquatic food web. The physical and chemical transformations of various mercury species in the atmosphere strongly influence their composition, phase, transport characteristics and deposition rate back to the ground. Modeling efforts to assess global cycling of mercury require an accurate understanding of atmospheric mercury chemistry. Yet, there are several key uncertainties precluding accurate modeling of physical and chemical transformations. We focus this article on recent studies (since 2015 on improving our understanding of the atmospheric chemistry of mercury. We discuss recent advances in determining the dominant atmospheric oxidant of elemental mercury (Hg0 and understanding the oxidation reactions of Hg0 by halogen atoms and by nitrate radical (NO3—in the aqueous reduction of oxidized mercury compounds (HgII as well as in the heterogeneous reactions of Hg on atmospheric-relevant surfaces. The need for future research to improve understanding of the fate and transformation of mercury in the atmosphere is also discussed.

Structural and elastoplastic properties of β -Ga2O3 films grown on hybrid SiC/Si substrates

Science.gov (United States)

Osipov, A. V.; Grashchenko, A. S.; Kukushkin, S. A.; Nikolaev, V. I.; Osipova, E. V.; Pechnikov, A. I.; Soshnikov, I. P.

2018-04-01

Structural and mechanical properties of gallium oxide films grown on (001), (011) and (111) silicon substrates with a buffer layer of silicon carbide are studied. The buffer layer was fabricated by the atom substitution method, i.e., one silicon atom per unit cell in the substrate was substituted by a carbon atom by chemical reaction with carbon monoxide. The surface and bulk structure properties of gallium oxide films have been studied by atomic-force microscopy and scanning electron microscopy. The nanoindentation method was used to investigate the elastoplastic characteristics of gallium oxide, and also to determine the elastic recovery parameter of the films under study. The ultimate tensile strength, hardness, elastic stiffness constants, elastic compliance constants, Young's modulus, linear compressibility, shear modulus, Poisson's ratio and other characteristics of gallium oxide have been calculated by quantum chemistry methods based on the PBESOL functional. It is shown that all these properties of gallium oxide are essentially anisotropic. The calculated values are compared with experimental data. We conclude that a change in the silicon orientation leads to a significant reorientation of gallium oxide.

Fluorine in medicinal chemistry.

Science.gov (United States)

Swallow, Steven

2015-01-01

Since its first use in the steroid field in the late 1950s, the use of fluorine in medicinal chemistry has become commonplace, with the small electronegative fluorine atom being a key part of the medicinal chemist's repertoire of substitutions used to modulate all aspects of molecular properties including potency, physical chemistry and pharmacokinetics. This review will highlight the special nature of fluorine, drawing from a survey of marketed fluorinated pharmaceuticals and the medicinal chemistry literature, to illustrate key concepts exploited by medicinal chemists in their attempts to optimize drug molecules. Some of the potential pitfalls in the use of fluorine will also be highlighted. © 2015 Elsevier B.V. All rights reserved.

Oxidation behaviour of noble-metal inclusions in used UO2 nuclear fuel

International Nuclear Information System (INIS)

McEachern, R.

1997-07-01

The literature on the chemistry of the noble-metal (Mo-Rh-Ru-Pd-Tc) inclusions found in used nuclear fuel has been reviewed. The Mo-Ru-Pd phase diagram is reasonably well understood, and the pseudoternary Mo-(Tc+Ru)-Rh+Pd) system can be used to qualitatively understand the phase chemistry of the noble-metal inclusions. The kinetics of the oxidation reaction are not particularly well understood, but they are of limited applicability to understanding the properties of used fuel. In contrast, it is important to determine the thermodynamic activity of molybdenum in noble-metal inclusions, so that analysis of their molybdenum content can be used as a probe of the local oxygen potential of the used fuel. (author)

Crystal chemistry and magnetic properties of ternary rare earth sulfides

International Nuclear Information System (INIS)

Plug, C.M.; Rijksuniversiteit Leiden

1977-01-01

The results of magnetic measurements on two groups of ternary rare earth sulphides are described, the MLnS 2 (M=Li, Na, K) type of compounds and the series Ln 2 ZrS 5 , where Ln denotes one of the rare earths. None of these compounds is metallic, excluding the possibility of RKKY-interaction. In chapter II a survey of the relevant theory on magnetic properties and crystal field splitting is given. In spite of the similarity in chemical properties of the rare earths, the crystal chemistry of their compounds is rather complex. This is due to the lanthanide contraction. The third chapter deals with the description and classification of the numerous crystal structures of both ternary and binary rare earth sulphides that have been observed. Rather simple relations between various structures are presented using a new method of structure classification. The magnetic interactions expected to be based on superexchange via the anions, which is usually very structure dependent. Experiments to study the crystallographic ordering, applying both X-ray and electron diffraction methods and the results of the magnetic measurements on the compounds MLnS 2 are reported in chapter IV. The compounds Ln 2 ZrS 5 are candidates for a systematic study of the variation of the magnetic properties along the rare earth series. The results of magnetic measurements on these compounds are presented in chapter V, combined with the results of specific heat measurements. Also the magnetic structure of two representatives, Tb 2 ZrS 5 and Dy 2 ZrS 5 , determined by neutron diffraction experiments below the ordering temperature, is reported

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